*HEADER    UNKNOWN FUNCTION                        20-SEP-04   1XHH              
*TITLE     SOLUTION STRUCTURE OF PORCINE BETA-MICROSEMINOPROTEIN                 
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: BETA-MICROSEMINOPROTEIN;                                   
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: SUS SCROFA;                                     
*SOURCE   3 ORGANISM_COMMON: PIG;                                                
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: M15;                                       
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PQE30                                     
*KEYWDS    BETA SRANDS, NOVEL FOLD, BETA-MICROSEMINOPROTEIN, PROSTATIC           
*KEYWDS   2 SECRETORY PROTEIN, SOLUTION STRUCTURE, NA+, K+ ATPASE                
*KEYWDS   3 INHIBITOR                                                            
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    I.WANG, Y.C.LOU, K.P.WU, S.H.WU, W.C.CHANG, C.CHEN                    
*REVDAT   1   20-MAR-05 1XHH    0                                                

remarks NOE restraints (generated on 04/21/04 by I.Wang)
remarks modified from Apr14.tbl(for porcine beta-microseminoprotein)
remarks L 2.00 0.20 0.50; M 2.00 0.20 1.50; S 2.00 0.20 2.50 ; VS 2.00 0.20.3.00
set wrnlev=0 end

remarks disufate bonds

assign (resid    2 and  name SG   )(resid   47 and  name SG   ) 2.00 0.20 0.10
assign (resid   15 and  name SG   )(resid   39 and  name SG   ) 2.00 0.20 0.10
assign (resid   34 and  name SG   )(resid   70 and  name SG   ) 2.00 0.20 0.10
assign (resid   37 and  name SG   )(resid   46 and  name SG   ) 2.00 0.20 0.10
assign (resid   61 and  name SG   )(resid   84 and  name SG   ) 2.00 0.20 0.10

remarks Cys2   

assign (resid    2 and  name HN   )(resid    1 and  name HA   ) 2.00 0.20 0.80 
assign (resid    2 and  name HN   )(resid    1 and  name HB*  ) 2.00 0.20 2.50 
assign (resid    2 and  name HN   )(resid    2 and  name HA   ) 2.00 0.20 2.00 
assign (resid    2 and  name HN   )(resid    2 and  name HB*  ) 2.00 0.20 2.00 
assign (resid    2 and  name HA   )(resid   47 and  name HA   ) 2.00 0.20 0.50
assign (resid    2 and  name HA   )(resid   47 and  name HB*  ) 2.00 0.20 3.00 
assign (resid    2 and  name HA   )(resid   48 and  name HN   ) 2.00 0.20 1.50

remarks Tyr3   

assign (resid    3 and  name HN   )(resid    2 and  name HA   ) 2.00 0.20 0.50
assign (resid    3 and  name HN   )(resid    2 and  name HB*  ) 2.00 0.20 2.00 
assign (resid    3 and  name HN   )(resid    3 and  name HA   ) 2.00 0.20 2.00 
assign (resid    3 and  name HN   )(resid    3 and  name HB*  ) 2.00 0.20 3.00
assign (resid    3 and  name HN   )(resid   46 and  name HN   ) 2.00 0.20 1.50 
assign (resid    3 and  name HN   )(resid   47 and  name HA   ) 2.00 0.20 1.50
assign (resid    3 and  name HD*  )(resid    3 and  name HA   ) 2.00 0.20 2.50 
assign (resid    3 and  name HD*  )(resid    3 and  name HB*  ) 2.00 0.20 2.50 
assign (resid    3 and  name HD*  )(resid    5 and  name HG1* ) 2.00 0.20 4.50        
assign (resid    3 and  name HD*  )(resid    5 and  name HD*  ) 2.00 0.20 5.50  
assign (resid    3 and  name HE*  )(resid    3 and  name HA   ) 2.00 0.20 4.00 
assign (resid    3 and  name HE*  )(resid    3 and  name HB*  ) 2.00 0.20 4.00  
assign (resid    3 and  name HE*  )(resid    5 and  name HG1* ) 2.00 0.20 3.50 
assign (resid    3 and  name HE*  )(resid    5 and  name HD*  ) 2.00 0.20 4.00 

remarks Phe4   

assign (resid    4 and  name HN   )(resid    3 and  name HA   ) 2.00 0.20 0.50
assign (resid    4 and  name HN   )(resid    3 and  name HB*  ) 2.00 0.20 2.50
assign (resid    4 and  name HN   )(resid    4 and  name HA   ) 2.00 0.20 1.80
assign (resid    4 and  name HN   )(resid    4 and  name HB*  ) 2.00 0.20 2.00
assign (resid    4 and  name HA   )(resid   43 and  name HB*  ) 2.00 0.20 4.00
assign (resid    4 and  name HA   )(resid   45 and  name HA   ) 2.00 0.20 0.50
assign (resid    4 and  name HA   )(resid   45 and  name HB*  ) 2.00 0.20 2.50
assign (resid    4 and  name HA   )(resid   46 and  name HN   ) 2.00 0.20 1.50
assign (resid    4 and  name HD*  )(resid    4 and  name HB*  ) 2.00 0.20 2.50 
assign (resid    4 and  name HD*  )(resid   43 and  name HB*  ) 2.00 0.20 6.00
assign (resid    4 and  name HD*  )(resid   45 and  name HB*  ) 2.00 0.20 5.50 
assign (resid    4 and  name HE*  )(resid    4 and  name HB*  ) 2.00 0.20 3.50   
assign (resid    4 and  name HE*  )(resid   43 and  name HB*  ) 2.00 0.20 4.50
assign (resid    4 and  name HE*  )(resid   45 and  name HB*  ) 2.00 0.20 6.00 

remarks Ile5   

assign (resid    5 and  name HN   )(resid    4 and  name HA   ) 2.00 0.20 0.50
assign (resid    5 and  name HN   )(resid    4 and  name HB*  ) 2.00 0.20 2.00 
assign (resid    5 and  name HN   )(resid    5 and  name HA   ) 2.00 0.20 1.50
assign (resid    5 and  name HN   )(resid    5 and  name HB   ) 2.00 0.20 0.80 
assign (resid    5 and  name HN   )(resid    5 and  name HG1* ) 2.00 0.20 2.50 
assign (resid    5 and  name HN   )(resid    5 and  name HD*  ) 2.00 0.20 3.00     
assign (resid    5 and  name HN   )(resid   43 and  name HB*  ) 2.00 0.20 3.50 
assign (resid    5 and  name HN   )(resid   44 and  name HN   ) 2.00 0.20 1.50 
assign (resid    5 and  name HN   )(resid   45 and  name HA   ) 2.00 0.20 1.80
assign (resid    5 and  name HN   )(resid   46 and  name HN   ) 2.00 0.20 2.50 
assign (resid    5 and  name HA   )(resid    5 and  name HB   ) 2.00 0.20 1.00 
assign (resid    5 and  name HA   )(resid    6 and  name HD*  ) 2.00 0.20 0.80

remarks Pro6   

assign (resid    6 and  name HA   )(resid   43 and  name HA   ) 2.00 0.20 0.80 
assign (resid    6 and  name HA   )(resid   43 and  name HB*  ) 2.00 0.20 3.50
assign (resid    6 and  name HA   )(resid    6 and  name HG*  ) 2.00 0.20 2.50 
assign (resid    6 and  name HB*  )(resid    6 and  name HD*  ) 2.00 0.20 2.50  

remarks Asn7                                                                  
                                                                              
assign (resid    7 and  name HN   )(resid    6 and  name HA   ) 2.00 0.20 0.80  
assign (resid    7 and  name HN   )(resid    6 and  name HG*  ) 2.00 0.20 4.50 
assign (resid    7 and  name HN   )(resid    7 and  name HA   ) 2.00 0.20 0.80 
assign (resid    7 and  name HN   )(resid    7 and  name HB*  ) 2.00 0.20 1.50 
assign (resid    7 and  name HN   )(resid   43 and  name HB*  ) 2.00 0.20 5.00
assign (resid    7 and  name HA   )(resid   44 and  name HB   ) 2.00 0.20 3.00 
assign (resid    7 and  name HA   )(resid   44 and  name HD*  ) 2.00 0.20 4.50  
assign (resid    7 and  name HD2* )(resid    9 and  name HB*  ) 2.00 0.20 3.50 
assign (resid    7 and  name HD2* )(resid   15 and  name HA   ) 2.00 0.20 2.50 

remarks Gln8   

assign (resid    8 and  name HN   )(resid    7 and  name HA   ) 2.00 0.20 0.50
assign (resid    8 and  name HN   )(resid    7 and  name HB*  ) 2.00 0.20 4.00  
assign (resid    8 and  name HN   )(resid    8 and  name HA   ) 2.00 0.20 1.50
assign (resid    8 and  name HN   )(resid    8 and  name HB*  ) 2.00 0.20 1.50
assign (resid    8 and  name HN   )(resid    8 and  name HG*  ) 2.00 0.20 2.50 
assign (resid    8 and  name HN   )(resid    9 and  name HN   ) 2.00 0.20 0.50 
assign (resid    8 and  name HN   )(resid   44 and  name HD*  ) 2.00 0.20 5.50 
assign (resid    8 and  name HA   )(resid    8 and  name HG*  ) 2.00 0.20 2.50 
assign (resid    8 and  name HE2* )(resid   44 and  name HG1* ) 2.00 0.20 4.50
assign (resid    8 and  name HE2* )(resid   44 and  name HD*  ) 2.00 0.20 4.50

remarks Ser9   

assign (resid    9 and  name HN   )(resid    7 and  name HA   ) 2.00 0.20 2.00 
assign (resid    9 and  name HN   )(resid    7 and  name HB*  ) 2.00 0.20 4.50 
assign (resid    9 and  name HN   )(resid    8 and  name HA   ) 2.00 0.20 1.50
assign (resid    9 and  name HN   )(resid    8 and  name HB*  ) 2.00 0.20 3.00
assign (resid    9 and  name HN   )(resid    9 and  name HA   ) 2.00 0.20 1.50
assign (resid    9 and  name HN   )(resid    9 and  name HB*  ) 2.00 0.20 1.50
assign (resid    9 and  name HN   )(resid   16 and  name HN   ) 2.00 0.20 2.50 
assign (resid    9 and  name HN   )(resid   16 and  name HB*  ) 2.00 0.20 4.00 
assign (resid    9 and  name HB*  )(resid   16 and  name HB*  ) 2.00 0.20 4.50 
assign (resid    9 and  name HB*  )(resid   16 and  name HG*  ) 2.00 0.20 5.50 
                                            
remarks Leu10   

assign (resid   10 and  name HN   )(resid    9 and  name HA   ) 2.00 0.20 0.80 
assign (resid   10 and  name HN   )(resid    9 and  name HB*  ) 2.00 0.20 4.00
assign (resid   10 and  name HN   )(resid   10 and  name HA   ) 2.00 0.20 1.50 
assign (resid   10 and  name HN   )(resid   10 and  name HB*  ) 2.00 0.20 2.50 
assign (resid   10 and  name HN   )(resid   10 and  name HG   ) 2.00 0.20 2.00 
assign (resid   10 and  name HN   )(resid   10 and  name HD*  ) 2.00 0.20 4.00 
assign (resid   10 and  name HN   )(resid   11 and  name HN   ) 2.00 0.20 0.80
assign (resid   10 and  name HN   )(resid   11 and  name HG*  ) 2.00 0.20 4.00 
assign (resid   10 and  name HA   )(resid   10 and  name HG   ) 2.00 0.20 1.50 
assign (resid   10 and  name HA   )(resid   10 and  name HD*  ) 2.00 0.20 3.50 

remarks Lys11                                                                 
                                                                              
assign (resid   11 and  name HN   )(resid    9 and  name HB*  ) 2.00 0.20 3.50 
assign (resid   11 and  name HN   )(resid   10 and  name HA   ) 2.00 0.20 1.50
assign (resid   11 and  name HN   )(resid   10 and  name HD*  ) 2.00 0.20 6.00
assign (resid   11 and  name HN   )(resid   11 and  name HA   ) 2.00 0.20 1.00 
assign (resid   11 and  name HN   )(resid   11 and  name HB*  ) 2.00 0.20 3.00
assign (resid   11 and  name HN   )(resid   11 and  name HG*  ) 2.00 0.20 2.50
assign (resid   11 and  name HN   )(resid   11 and  name HD*  ) 2.00 0.20 3.00
assign (resid   11 and  name HN   )(resid   12 and  name HD*  ) 2.00 0.20 4.00
assign (resid   11 and  name HA   )(resid   11 and  name HG*  ) 2.00 0.20 2.50 
assign (resid   11 and  name HA   )(resid   11 and  name HD*  ) 2.00 0.20 3.50 
assign (resid   11 and  name HA   )(resid   12 and  name HD*  ) 2.00 0.20 0.80

remarks Pro12                                                                 
                                                                              
assign (resid   12 and  name HD*  )(resid   11 and  name HB*  ) 2.00 0.20 3.00 
assign (resid   12 and  name HD*  )(resid   11 and  name HG*  ) 2.00 0.20 3.50                                          
assign (resid   12 and  name HD*  )(resid   11 and  name HD*  ) 2.00 0.20 3.50  
assign (resid   12 and  name HA   )(resid   12 and  name HG*  ) 2.00 0.20 2.00  
assign (resid   12 and  name HA   )(resid   12 and  name HD*  ) 2.00 0.20 3.00  
assign (resid   12 and  name HB*  )(resid   12 and  name HD*  ) 2.00 0.20 3.50  
            
remarks Asn13   
                
assign (resid   13 and  name HN   )(resid   12 and  name HA   ) 2.00 0.20 2.00 
assign (resid   13 and  name HN   )(resid   12 and  name HB*  ) 2.00 0.20 3.50 
assign (resid   13 and  name HN   )(resid   12 and  name HG*  ) 2.00 0.20 3.50 
assign (resid   13 and  name HN   )(resid   12 and  name HD*  ) 2.00 0.20 5.00 
assign (resid   13 and  name HN   )(resid   13 and  name HA   ) 2.00 0.20 0.80
assign (resid   13 and  name HN   )(resid   13 and  name HB*  ) 2.00 0.20 2.50
assign (resid   13 and  name HN   )(resid   14 and  name HN   ) 2.00 0.20 0.80
assign (resid   13 and  name HN   )(resid   25 and  name HD*  ) 2.00 0.20 6.00
assign (resid   13 and  name HA   )(resid   25 and  name HG   ) 2.00 0.20 2.50
assign (resid   13 and  name HA   )(resid   25 and  name HD*  ) 2.00 0.20 4.00

remarks Glu14                                                                  
                                                                               
assign (resid   14 and  name HN   )(resid   12 and  name HD*  ) 2.00 0.20 5.50 
assign (resid   14 and  name HN   )(resid   13 and  name HA   ) 2.00 0.20 0.80
assign (resid   14 and  name HN   )(resid   13 and  name HB*  ) 2.00 0.20 4.50  
assign (resid   14 and  name HN   )(resid   14 and  name HA   ) 2.00 0.20 1.00 
assign (resid   14 and  name HN   )(resid   14 and  name HB*  ) 2.00 0.20 2.00
assign (resid   14 and  name HN   )(resid   14 and  name HG*  ) 2.00 0.20 1.80
assign (resid   14 and  name HN   )(resid   15 and  name HN   ) 2.00 0.20 3.00 
assign (resid   14 and  name HN   )(resid   25 and  name HD*  ) 2.00 0.20 6.00
assign (resid   14 and  name HA   )(resid   14 and  name HG*  ) 2.00 0.20 2.00 

remarks Cys15   

assign (resid   15 and  name HN   )(resid   14 and  name HA   ) 2.00 0.20 0.50
assign (resid   15 and  name HN   )(resid   14 and  name HB*  ) 2.00 0.20 2.50
assign (resid   15 and  name HN   )(resid   14 and  name HG*  ) 2.00 0.20 2.00 
assign (resid   15 and  name HN   )(resid   15 and  name HA   ) 2.00 0.20 1.50
assign (resid   15 and  name HN   )(resid   15 and  name HB*  ) 2.00 0.20 1.50
assign (resid   15 and  name HN   )(resid   23 and  name HB*  ) 2.00 0.20 4.00
assign (resid   15 and  name HN   )(resid   23 and  name HN   ) 2.00 0.20 1.50 
assign (resid   15 and  name HA   )(resid    9 and  name HB*  ) 2.00 0.20 3.50
assign (resid   15 and  name HA   )(resid   44 and  name HD*  ) 2.00 0.20 4.50 

remarks Gln16   

assign (resid   16 and  name HN   )(resid    9 and  name HB*  ) 2.00 0.20 3.00 
assign (resid   16 and  name HN   )(resid   15 and  name HA   ) 2.00 0.20 0.80  
assign (resid   16 and  name HN   )(resid   15 and  name HB*  ) 2.00 0.20 3.00
assign (resid   16 and  name HN   )(resid   16 and  name HA   ) 2.00 0.20 2.50 
assign (resid   16 and  name HN   )(resid   16 and  name HB*  ) 2.00 0.20 2.00 
assign (resid   16 and  name HN   )(resid   44 and  name HD*  ) 2.00 0.20 3.50 
assign (resid   16 and  name HA   )(resid   16 and  name HG*  ) 2.00 0.20 3.00 

remarks Asp17   

assign (resid   17 and  name HN   )(resid   16 and  name HA   ) 2.00 0.20 0.50 
assign (resid   17 and  name HN   )(resid   16 and  name HB*  ) 2.00 0.20 2.50 
assign (resid   17 and  name HN   )(resid   16 and  name HG*  ) 2.00 0.20 3.00 
assign (resid   17 and  name HN   )(resid   17 and  name HA   ) 2.00 0.20 1.50
assign (resid   17 and  name HN   )(resid   17 and  name HB*  ) 2.00 0.20 2.00
assign (resid   17 and  name HN   )(resid   44 and  name HD*  ) 2.00 0.20 4.00 
assign (resid   17 and  name HN   )(resid   20 and  name HA*  ) 2.00 0.20 4.50
assign (resid   17 and  name HA   )(resid   44 and  name HG1* ) 2.00 0.20 5.50 
assign (resid   17 and  name HA   )(resid   44 and  name HG2* ) 2.00 0.20 6.00 

remarks Leu18                                                                 
                                                                              
assign (resid   18 and  name HN   )(resid   17 and  name HA   ) 2.00 0.20 0.80 
assign (resid   18 and  name HN   )(resid   17 and  name HB*  ) 2.00 0.20 2.00
assign (resid   18 and  name HN   )(resid   18 and  name HA   ) 2.00 0.20 2.00 
assign (resid   18 and  name HN   )(resid   18 and  name HB*  ) 2.00 0.20 3.00 
assign (resid   18 and  name HN   )(resid   18 and  name HG   ) 2.00 0.20 2.00 
assign (resid   18 and  name HN   )(resid   18 and  name HD*  ) 2.00 0.20 5.50 
assign (resid   18 and  name HA   )(resid   18 and  name HG   ) 2.00 0.20 2.00 
assign (resid   18 and  name HA   )(resid   18 and  name HD*  ) 2.00 0.20 2.50

remarks Lys19   

assign (resid   19 and  name HN   )(resid   18 and  name HA   ) 2.00 0.20 1.50
assign (resid   19 and  name HN   )(resid   19 and  name HA   ) 2.00 0.20 1.50 
assign (resid   19 and  name HN   )(resid   19 and  name HB*  ) 2.00 0.20 1.50
assign (resid   19 and  name HN   )(resid   19 and  name HG*  ) 2.00 0.20 4.00
assign (resid   19 and  name HN   )(resid   19 and  name HD*  ) 2.00 0.20 4.50
assign (resid   19 and  name HN   )(resid   20 and  name HN   ) 2.00 0.20 0.50 
assign (resid   19 and  name HN   )(resid   75 and  name HB   ) 2.00 0.20 4.00
assign (resid   19 and  name HN   )(resid   75 and  name HG*  ) 2.00 0.20 6.00
assign (resid   19 and  name HN   )(resid   77 and  name HG*  ) 2.00 0.20 6.00 
assign (resid   19 and  name HA   )(resid   19 and  name HG*  ) 2.00 0.20 2.00 
assign (resid   19 and  name HA   )(resid   19 and  name HD*  ) 2.00 0.20 2.50 
assign (resid   19 and  name HA   )(resid   19 and  name HE*  ) 2.00 0.20 2.00 

remarks Gly20   

assign (resid   20 and  name HN   )(resid   19 and  name HA   ) 2.00 0.20 1.80
assign (resid   20 and  name HN   )(resid   19 and  name HB*  ) 2.00 0.20 3.00  
assign (resid   20 and  name HN   )(resid   21 and  name HN   ) 2.00 0.20 2.50 
assign (resid   20 and  name HN   )(resid   75 and  name HB   ) 2.00 0.20 3.50
assign (resid   20 and  name HN   )(resid   75 and  name HG*  ) 2.00 0.20 5.50

remarks Val21   

assign (resid   21 and  name HN   )(resid   19 and  name HB*  ) 2.00 0.20 4.00 
assign (resid   21 and  name HN   )(resid   20 and  name HA*  ) 2.00 0.20 1.50 
assign (resid   21 and  name HN   )(resid   21 and  name HA   ) 2.00 0.20 1.00 
assign (resid   21 and  name HN   )(resid   21 and  name HB   ) 2.00 0.20 1.00
assign (resid   21 and  name HN   )(resid   21 and  name HG*  ) 2.00 0.20 2.50
assign (resid   21 and  name HA   )(resid   21 and  name HB   ) 2.00 0.20 1.00 
assign (resid   21 and  name HA   )(resid   21 and  name HG*  ) 2.00 0.20 1.50

remarks Ser22   

assign (resid   22 and  name HN   )(resid   21 and  name HA   ) 2.00 0.20 0.80 
assign (resid   22 and  name HN   )(resid   21 and  name HB   ) 2.00 0.20 2.50
assign (resid   22 and  name HN   )(resid   21 and  name HG*  ) 2.00 0.20 3.50
assign (resid   22 and  name HN   )(resid   22 and  name HA   ) 2.00 0.20 1.80
assign (resid   22 and  name HN   )(resid   22 and  name HB*  ) 2.00 0.20 2.00
assign (resid   22 and  name HN   )(resid   23 and  name HN   ) 2.00 0.20 2.50
assign (resid   22 and  name HA   )(resid   16 and  name HA   ) 2.00 0.20 0.80 
assign (resid   22 and  name HA   )(resid   16 and  name HB*  ) 2.00 0.20 4.50 
assign (resid   22 and  name HA   )(resid   16 and  name HG*  ) 2.00 0.20 4.50 
assign (resid   22 and  name HB*  )(resid   16 and  name HA   ) 2.00 0.20 4.00 

remarks His23   

assign (resid   23 and  name HN   )(resid   14 and  name HG*  ) 2.00 0.20 4.50 
assign (resid   23 and  name HN   )(resid   22 and  name HA   ) 2.00 0.20 0.50
assign (resid   23 and  name HN   )(resid   22 and  name HB*  ) 2.00 0.20 2.50
assign (resid   23 and  name HN   )(resid   23 and  name HA   ) 2.00 0.20 2.00
assign (resid   23 and  name HN   )(resid   23 and  name HB*  ) 2.00 0.20 2.00
assign (resid   23 and  name HA   )(resid   24 and  name HD*  ) 2.00 0.20 0.80

remarks Pro24                                                                   
                                                                                
assign (resid   24 and  name HA   )(resid   14 and  name HA   ) 2.00 0.20 1.50 
assign (resid   24 and  name HA   )(resid   24 and  name HG*  ) 2.00 0.20 2.50 
assign (resid   24 and  name HB*  )(resid   24 and  name HD*  ) 2.00 0.20 2.50 

remarks Leu25   

assign (resid   25 and  name HN   )(resid   13 and  name HA   ) 2.00 0.20 2.50 
assign (resid   25 and  name HN   )(resid   13 and  name HB*  ) 2.00 0.20 4.50  
assign (resid   25 and  name HN   )(resid   14 and  name HA   ) 2.00 0.20 1.50 
assign (resid   25 and  name HN   )(resid   15 and  name HN   ) 2.00 0.20 3.00 
assign (resid   25 and  name HN   )(resid   24 and  name HA   ) 2.00 0.20 0.80  
assign (resid   25 and  name HN   )(resid   24 and  name HB*  ) 2.00 0.20 2.50
assign (resid   25 and  name HN   )(resid   24 and  name HG*  ) 2.00 0.20 4.00 
assign (resid   25 and  name HN   )(resid   25 and  name HA   ) 2.00 0.20 0.80 
assign (resid   25 and  name HN   )(resid   25 and  name HB*  ) 2.00 0.20 2.00 
assign (resid   25 and  name HN   )(resid   25 and  name HD*  ) 2.00 0.20 5.50 
assign (resid   25 and  name HN   )(resid   26 and  name HN   ) 2.00 0.20 3.50 
assign (resid   25 and  name HA   )(resid   25 and  name HG   ) 2.00 0.20 1.50 
assign (resid   25 and  name HA   )(resid   25 and  name HD*  ) 2.00 0.20 2.50 
assign (resid   25 and  name HD*  )(resid   41 and  name HE2* ) 2.00 0.20 5.50

remarks Asn26   
 
assign (resid   26 and  name HN   )(resid   25 and  name HA   ) 2.00 0.20 0.80 
assign (resid   26 and  name HN   )(resid   25 and  name HB*  ) 2.00 0.20 4.50
assign (resid   26 and  name HN   )(resid   25 and  name HG   ) 2.00 0.20 2.50
assign (resid   26 and  name HN   )(resid   25 and  name HD*  ) 2.00 0.20 4.00 
assign (resid   26 and  name HN   )(resid   26 and  name HA   ) 2.00 0.20 0.80 
assign (resid   26 and  name HN   )(resid   26 and  name HB*  ) 2.00 0.20 3.50 
assign (resid   26 and  name HN   )(resid   27 and  name HN   ) 2.00 0.20 1.50
assign (resid   26 and  name HN   )(resid   39 and  name HB*  ) 2.00 0.20 3.00 

remarks Ser27   

assign (resid   27 and  name HN   )(resid   25 and  name HD*  ) 2.00 0.20 6.00 
assign (resid   27 and  name HN   )(resid   25 and  name HA   ) 2.00 0.20 3.00
assign (resid   27 and  name HN   )(resid   26 and  name HA   ) 2.00 0.20 2.00  
assign (resid   27 and  name HN   )(resid   26 and  name HB*  ) 2.00 0.20 4.00
assign (resid   27 and  name HN   )(resid   27 and  name HA   ) 2.00 0.20 1.00 
assign (resid   27 and  name HN   )(resid   27 and  name HB*  ) 2.00 0.20 2.50
assign (resid   27 and  name HN   )(resid   39 and  name HB*  ) 2.00 0.20 2.50 
assign (resid   27 and  name HA   )(resid   28 and  name HG*  ) 2.00 0.20 5.00 

remarks Val28   

assign (resid   28 and  name HN   )(resid   27 and  name HA   ) 2.00 0.20 0.80 
assign (resid   28 and  name HN   )(resid   27 and  name HB*  ) 2.00 0.20 2.50
assign (resid   28 and  name HN   )(resid   28 and  name HA   ) 2.00 0.20 2.00 
assign (resid   28 and  name HN   )(resid   28 and  name HB   ) 2.00 0.20 1.50
assign (resid   28 and  name HN   )(resid   28 and  name HG*  ) 2.00 0.20 4.50
assign (resid   28 and  name HA   )(resid   28 and  name HB   ) 2.00 0.20 1.50 
assign (resid   28 and  name HA   )(resid   28 and  name HG*  ) 2.00 0.20 1.50 
assign (resid   28 and  name HA   )(resid   38 and  name HA   ) 2.00 0.20 0.50 
assign (resid   28 and  name HA   )(resid   38 and  name HB   ) 2.00 0.20 2.00 
assign (resid   28 and  name HA   )(resid   38 and  name HG2* ) 2.00 0.20 3.00
assign (resid   28 and  name HG*  )(resid   38 and  name HB   ) 2.00 0.20 5.00
assign (resid   28 and  name HG*  )(resid   38 and  name HG2* ) 2.00 0.20 5.00

remarks Trp29   

assign (resid   29 and  name HN   )(resid   28 and  name HA   ) 2.00 0.20 0.50
assign (resid   29 and  name HN   )(resid   28 and  name HB   ) 2.00 0.20 1.50 
assign (resid   29 and  name HN   )(resid   28 and  name HG*  ) 2.00 0.20 4.00 
assign (resid   29 and  name HN   )(resid   29 and  name HA   ) 2.00 0.20 1.80
assign (resid   29 and  name HN   )(resid   29 and  name HB*  ) 2.00 0.20 4.00
assign (resid   29 and  name HA   )(resid   28 and  name HG*  ) 2.00 0.20 5.50
assign (resid   29 and  name HD1  )(resid   29 and  name HB*  ) 2.00 0.20 2.50 
assign (resid   29 and  name HD1  )(resid   30 and  name HN   ) 2.00 0.20 3.00 
assign (resid   29 and  name HD1  )(resid   31 and  name HA   ) 2.00 0.20 4.00 
assign (resid   29 and  name HD1  )(resid   31 and  name HG2* ) 2.00 0.20 3.50
assign (resid   29 and  name HE1  )(resid   31 and  name HG2* ) 2.00 0.20 4.50
assign (resid   29 and  name HE3  )(resid   28 and  name HA   ) 2.00 0.20 3.50 
assign (resid   29 and  name HE3  )(resid   29 and  name HA   ) 2.00 0.20 4.50 
assign (resid   29 and  name HE3  )(resid   29 and  name HB*  ) 2.00 0.20 3.50 
assign (resid   29 and  name HE3  )(resid   29 and  name HN   ) 2.00 0.20 2.00
assign (resid   29 and  name HH2  )(resid   39 and  name HB*  ) 2.00 0.20 4.50 
assign (resid   29 and  name HZ2  )(resid   44 and  name HD*  ) 2.00 0.20 5.00 
assign (resid   29 and  name HZ2  )(resid   44 and  name HG2* ) 2.00 0.20 4.50 
assign (resid   29 and  name HZ3  )(resid   39 and  name HB*  ) 2.00 0.20 4.00 

remarks Lys30   

assign (resid   30 and  name HN   )(resid   29 and  name HA   ) 2.00 0.20 0.80 
assign (resid   30 and  name HN   )(resid   29 and  name HB*  ) 2.00 0.20 2.00
assign (resid   30 and  name HN   )(resid   30 and  name HA   ) 2.00 0.20 1.80  
assign (resid   30 and  name HN   )(resid   30 and  name HB*  ) 2.00 0.20 1.50 
assign (resid   30 and  name HN   )(resid   30 and  name HG*  ) 2.00 0.20 4.50 
assign (resid   30 and  name HA   )(resid   30 and  name HG*  ) 2.00 0.20 2.50 
assign (resid   30 and  name HA   )(resid   30 and  name HD*  ) 2.00 0.20 2.50 
assign (resid   30 and  name HA   )(resid   36 and  name HA   ) 2.00 0.20 0.50  
assign (resid   30 and  name HB*  )(resid   36 and  name HA   ) 2.00 0.20 3.00 

remarks Thr31   

assign (resid   31 and  name HN   )(resid   30 and  name HA   ) 2.00 0.20 0.50
assign (resid   31 and  name HN   )(resid   30 and  name HB*  ) 2.00 0.20 2.50
assign (resid   31 and  name HN   )(resid   31 and  name HA   ) 2.00 0.20 1.50
assign (resid   31 and  name HN   )(resid   31 and  name HB   ) 2.00 0.20 1.80
assign (resid   31 and  name HN   )(resid   31 and  name HG2* ) 2.00 0.20 3.50
assign (resid   31 and  name HN   )(resid   35 and  name HN   ) 2.00 0.20 2.00
assign (resid   31 and  name HN   )(resid   36 and  name HA   ) 2.00 0.20 3.00
assign (resid   31 and  name HA   )(resid   31 and  name HB   ) 2.00 0.20 0.40
assign (resid   31 and  name HA   )(resid   31 and  name HG2* ) 2.00 0.20 2.00
assign (resid   31 and  name HG2* )(resid   35 and  name HB*  ) 2.00 0.20 6.00
assign (resid   31 and  name HG2* )(resid   35 and  name HG*  ) 2.00 0.20 4.50
 
remarks Asp33   

assign (resid   33 and  name HN   )(resid   32 and  name HA   ) 2.00 0.20 1.50 
assign (resid   33 and  name HN   )(resid   32 and  name HB*  ) 2.00 0.20 3.50 
assign (resid   33 and  name HN   )(resid   32 and  name HG*  ) 2.00 0.20 4.00 
assign (resid   33 and  name HN   )(resid   33 and  name HA   ) 2.00 0.20 1.00 
assign (resid   33 and  name HN   )(resid   33 and  name HB*  ) 2.00 0.20 2.00 
assign (resid   33 and  name HN   )(resid   34 and  name HN   ) 2.00 0.20 1.80 

remarks Cys34   

assign (resid   34 and  name HN   )(resid   33 and  name HA   ) 2.00 0.20 1.50  
assign (resid   34 and  name HN   )(resid   33 and  name HB*  ) 2.00 0.20 4.50 
assign (resid   34 and  name HN   )(resid   34 and  name HA   ) 2.00 0.20 1.00 
assign (resid   34 and  name HN   )(resid   34 and  name HB*  ) 2.00 0.20 3.50
assign (resid   34 and  name HN   )(resid   35 and  name HN   ) 2.00 0.20 1.50  

remarks Glu35   

assign (resid   35 and  name HN   )(resid   31 and  name HA   ) 2.00 0.20 4.00 
assign (resid   35 and  name HN   )(resid   34 and  name HA   ) 2.00 0.20 1.50 
assign (resid   35 and  name HN   )(resid   34 and  name HB*  ) 2.00 0.20 4.00 
assign (resid   35 and  name HN   )(resid   35 and  name HA   ) 2.00 0.20 2.00  
assign (resid   35 and  name HN   )(resid   35 and  name HB*  ) 2.00 0.20 3.50
assign (resid   35 and  name HN   )(resid   35 and  name HG*  ) 2.00 0.20 2.50  
assign (resid   35 and  name HA   )(resid   35 and  name HG*  ) 2.00 0.20 1.00
assign (resid   35 and  name HA   )(resid   48 and  name HA   ) 2.00 0.20 0.80
assign (resid   35 and  name HA   )(resid   48 and  name HB*  ) 2.00 0.20 3.00

remarks Glu36   

assign (resid   36 and  name HN   )(resid   35 and  name HA   ) 2.00 0.20 0.50  
assign (resid   36 and  name HN   )(resid   35 and  name HG*  ) 2.00 0.20 2.50 
assign (resid   36 and  name HN   )(resid   36 and  name HA   ) 2.00 0.20 1.80
assign (resid   36 and  name HN   )(resid   36 and  name HB*  ) 2.00 0.20 3.00
assign (resid   36 and  name HN   )(resid   36 and  name HG*  ) 2.00 0.20 3.00
assign (resid   36 and  name HA   )(resid   36 and  name HG*  ) 2.00 0.20 2.00 

remarks Cys37   

assign (resid   37 and  name HN   )(resid   36 and  name HA   ) 2.00 0.20 0.50
assign (resid   37 and  name HN   )(resid   36 and  name HB*  ) 2.00 0.20 3.00 
assign (resid   37 and  name HN   )(resid   36 and  name HG*  ) 2.00 0.20 3.50
assign (resid   37 and  name HN   )(resid   37 and  name HA   ) 2.00 0.20 2.00  
assign (resid   37 and  name HN   )(resid   37 and  name HB*  ) 2.00 0.20 2.00
assign (resid   37 and  name HN   )(resid   38 and  name HN   ) 2.00 0.20 3.00 
assign (resid   37 and  name HN   )(resid   46 and  name HA   ) 2.00 0.20 2.50 
assign (resid   37 and  name HA   )(resid   46 and  name HA   ) 2.00 0.20 0.50
assign (resid   37 and  name HA   )(resid   46 and  name HB*  ) 2.00 0.20 2.50
assign (resid   37 and  name HA   )(resid   47 and  name HN   ) 2.00 0.20 1.50  
assign (resid   37 and  name HB*  )(resid   46 and  name HB*  ) 2.00 0.20 4.50

remarks Thr38   

assign (resid   38 and  name HN   )(resid   37 and  name HA   ) 2.00 0.20 0.50
assign (resid   38 and  name HN   )(resid   37 and  name HB*  ) 2.00 0.20 2.00
assign (resid   38 and  name HN   )(resid   38 and  name HA   ) 2.00 0.20 2.00 
assign (resid   38 and  name HN   )(resid   38 and  name HB   ) 2.00 0.20 1.80 
assign (resid   38 and  name HN   )(resid   38 and  name HG2* ) 2.00 0.20 3.00
assign (resid   38 and  name HN   )(resid   46 and  name HA   ) 2.00 0.20 3.00 
assign (resid   38 and  name HN   )(resid   45 and  name HN   ) 2.00 0.20 2.00
assign (resid   38 and  name HN   )(resid   45 and  name HB*  ) 2.00 0.20 3.00
assign (resid   38 and  name HN   )(resid   46 and  name HA   ) 2.00 0.20 1.50
assign (resid   38 and  name HA   )(resid   28 and  name HG*  ) 2.00 0.20 3.00
assign (resid   38 and  name HA   )(resid   38 and  name HB   ) 2.00 0.20 0.60 
assign (resid   38 and  name HA   )(resid   38 and  name HG2* ) 2.00 0.20 2.00 
assign (resid   38 and  name HB   )(resid   45 and  name HB*  ) 2.00 0.20 4.00
assign (resid   38 and  name HG2* )(resid   28 and  name HG*  ) 2.00 0.20 5.50
assign (resid   38 and  name HG2* )(resid   45 and  name HB*  ) 2.00 0.20 3.50

remarks Cys39   

assign (resid   39 and  name HN   )(resid   28 and  name HA   ) 2.00 0.20 2.50
assign (resid   39 and  name HN   )(resid   38 and  name HA   ) 2.00 0.20 0.80
assign (resid   39 and  name HN   )(resid   38 and  name HG2* ) 2.00 0.20 3.50 
assign (resid   39 and  name HN   )(resid   39 and  name HA   ) 2.00 0.20 1.80
assign (resid   39 and  name HN   )(resid   39 and  name HB*  ) 2.00 0.20 2.50
assign (resid   39 and  name HA   )(resid   15 and  name HB*  ) 2.00 0.20 4.00
assign (resid   39 and  name HA   )(resid   44 and  name HA   ) 2.00 0.20 0.80

remarks Gly40   

assign (resid   40 and  name HN   )(resid   39 and  name HA   ) 2.00 0.20 0.80
assign (resid   40 and  name HN   )(resid   39 and  name HB*  ) 2.00 0.20 4.00
assign (resid   40 and  name HN   )(resid   43 and  name HN   ) 2.00 0.20 1.80

remarks Gln41   

assign (resid   41 and  name HN   )(resid   25 and  name HD*  ) 2.00 0.20 5.00
assign (resid   41 and  name HN   )(resid   40 and  name HA*  ) 2.00 0.20 0.80
assign (resid   41 and  name HN   )(resid   41 and  name HA   ) 2.00 0.20 0.80
assign (resid   41 and  name HN   )(resid   41 and  name HB*  ) 2.00 0.20 2.00
assign (resid   41 and  name HN   )(resid   41 and  name HG*  ) 2.00 0.20 3.50
assign (resid   41 and  name HN   )(resid   42 and  name HN   ) 2.00 0.20 2.50
assign (resid   41 and  name HN   )(resid   43 and  name HN   ) 2.00 0.20 2.50
assign (resid   41 and  name HA   )(resid   41 and  name HG*  ) 2.00 0.20 1.30

remarks Asp42   

assign (resid   42 and  name HN   )(resid   41 and  name HA   ) 2.00 0.20 1.50
assign (resid   42 and  name HN   )(resid   41 and  name HB*  ) 2.00 0.20 2.50
assign (resid   42 and  name HN   )(resid   41 and  name HG*  ) 2.00 0.20 4.00
assign (resid   42 and  name HN   )(resid   42 and  name HA   ) 2.00 0.20 1.00
assign (resid   42 and  name HN   )(resid   42 and  name HB*  ) 2.00 0.20 2.00
assign (resid   42 and  name HN   )(resid   43 and  name HB*  ) 2.00 0.20 5.00
assign (resid   42 and  name HN   )(resid   43 and  name HN   ) 2.00 0.20 0.80 

remarks Ala43   

assign (resid   43 and  name HN   )(resid   41 and  name HA   ) 2.00 0.20 2.50
assign (resid   43 and  name HN   )(resid   41 and  name HB*  ) 2.00 0.20 3.50 
assign (resid   43 and  name HN   )(resid   41 and  name HG*  ) 2.00 0.20 4.50 
assign (resid   43 and  name HN   )(resid   42 and  name HA   ) 2.00 0.20 1.80
assign (resid   43 and  name HN   )(resid   42 and  name HB*  ) 2.00 0.20 3.50
assign (resid   43 and  name HN   )(resid   43 and  name HA   ) 2.00 0.20 1.00 
assign (resid   43 and  name HN   )(resid   43 and  name HB*  ) 2.00 0.20 3.00
assign (resid   43 and  name HN   )(resid   44 and  name HN   ) 2.00 0.20 2.50
assign (resid   43 and  name HB*  )(resid    4 and  name HB*  ) 2.00 0.20 5.00 
assign (resid   43 and  name HB*  )(resid    6 and  name HB*  ) 2.00 0.20 5.50
assign (resid   43 and  name HB*  )(resid   39 and  name HA   ) 2.00 0.20 5.50
assign (resid   43 and  name HB*  )(resid   42 and  name HB*  ) 2.00 0.20 6.00

remarks Ile44   
 
assign (resid   44 and  name HN   )(resid    7 and  name HN   ) 2.00 0.20 3.00 
assign (resid   44 and  name HN   )(resid   43 and  name HA   ) 2.00 0.20 1.50
assign (resid   44 and  name HN   )(resid   43 and  name HB*  ) 2.00 0.20 3.50
assign (resid   44 and  name HN   )(resid   44 and  name HA   ) 2.00 0.20 2.00
assign (resid   44 and  name HN   )(resid   44 and  name HB   ) 2.00 0.20 1.00
assign (resid   44 and  name HN   )(resid   44 and  name HG1* ) 2.00 0.20 5.00
assign (resid   44 and  name HN   )(resid   44 and  name HD*  ) 2.00 0.20 4.50
assign (resid   44 and  name HA   )(resid   39 and  name HB*  ) 2.00 0.20 3.50
assign (resid   44 and  name HA   )(resid   44 and  name HB   ) 2.00 0.20 2.00
assign (resid   44 and  name HA   )(resid   44 and  name HG2* ) 2.00 0.20 3.00
assign (resid   44 and  name HA   )(resid   44 and  name HD*  ) 2.00 0.20 3.50 
assign (resid   44 and  name HG2* )(resid   15 and  name HB*  ) 2.00 0.20 6.00
assign (resid   44 and  name HG2* )(resid   37 and  name HA   ) 2.00 0.20 5.00
assign (resid   44 and  name HG2* )(resid   37 and  name HB*  ) 2.00 0.20 4.50
assign (resid   44 and  name HG2* )(resid   39 and  name HA   ) 2.00 0.20 5.50
assign (resid   44 and  name HG2* )(resid   39 and  name HB*  ) 2.00 0.20 5.50
assign (resid   44 and  name HG2* )(resid   43 and  name HB*  ) 2.00 0.20 6.00
assign (resid   44 and  name HD*  )(resid   15 and  name HB*  ) 2.00 0.20 4.00 
assign (resid   44 and  name HD*  )(resid   17 and  name HA   ) 2.00 0.20 4.50
assign (resid   44 and  name HD*  )(resid   17 and  name HB*  ) 2.00 0.20 5.00
assign (resid   44 and  name HD*  )(resid   39 and  name HA   ) 2.00 0.20 4.50
assign (resid   44 and  name HD*  )(resid   39 and  name HB*  ) 2.00 0.20 5.50

remarks Ser45   

assign (resid   45 and  name HN   )(resid   44 and  name HA   ) 2.00 0.20 1.00
assign (resid   45 and  name HN   )(resid   44 and  name HG2* ) 2.00 0.20 4.00
assign (resid   45 and  name HN   )(resid   45 and  name HA   ) 2.00 0.20 2.00
assign (resid   45 and  name HN   )(resid   45 and  name HB*  ) 2.00 0.20 2.50
assign (resid   45 and  name HB*  )(resid    4 and  name HB*  ) 2.00 0.20 5.00 

remarks Cys46   

assign (resid   46 and  name HN   )(resid    2 and  name HB*  ) 2.00 0.20 4.00      
assign (resid   46 and  name HN   )(resid   44 and  name HG2* ) 2.00 0.20 4.50 
assign (resid   46 and  name HN   )(resid   45 and  name HA   ) 2.00 0.20 0.50
assign (resid   46 and  name HN   )(resid   45 and  name HB*  ) 2.00 0.20 3.00
assign (resid   46 and  name HN   )(resid   46 and  name HA   ) 2.00 0.20 2.00
assign (resid   46 and  name HN   )(resid   46 and  name HB*  ) 2.00 0.20 1.80
assign (resid   46 and  name HA   )(resid   37 and  name HB*  ) 2.00 0.20 3.50

remarks Cys47   

assign (resid   47 and  name HN   )(resid   46 and  name HA   ) 2.00 0.20 0.50
assign (resid   47 and  name HN   )(resid   46 and  name HB*  ) 2.00 0.20 2.50 
assign (resid   47 and  name HN   )(resid   47 and  name HA   ) 2.00 0.20 2.00
assign (resid   47 and  name HN   )(resid   47 and  name HB*  ) 2.00 0.20 2.00 
assign (resid   47 and  name HA   )(resid    2 and  name HB*  ) 2.00 0.20 2.50 

remarks Asn48   

assign (resid   48 and  name HN   )(resid   47 and  name HA   ) 2.00 0.20 0.50
assign (resid   48 and  name HN   )(resid   47 and  name HB*  ) 2.00 0.20 2.50 
assign (resid   48 and  name HN   )(resid   48 and  name HA   ) 2.00 0.20 2.00
assign (resid   48 and  name HN   )(resid   48 and  name HB*  ) 2.00 0.20 1.80  

remarks Thr49   

assign (resid   49 and  name HN   )(resid   35 and  name HA   ) 2.00 0.20 1.50 
assign (resid   49 and  name HN   )(resid   35 and  name HG*  ) 2.00 0.20 4.50 
assign (resid   49 and  name HN   )(resid   48 and  name HA   ) 2.00 0.20 0.50
assign (resid   49 and  name HN   )(resid   48 and  name HB*  ) 2.00 0.20 3.00
assign (resid   49 and  name HN   )(resid   49 and  name HA   ) 2.00 0.20 1.50
assign (resid   49 and  name HN   )(resid   49 and  name HG2* ) 2.00 0.20 2.50 
assign (resid   49 and  name HN   )(resid   50 and  name HB*  ) 2.00 0.20 4.00 
assign (resid   49 and  name HN   )(resid   50 and  name HN   ) 2.00 0.20 0.80
assign (resid   49 and  name HA   )(resid   49 and  name HG2* ) 2.00 0.20 1.50 

remarks Ala50   

assign (resid   50 and  name HN   )(resid   48 and  name HA   ) 2.00 0.20 2.50 
assign (resid   50 and  name HN   )(resid   48 and  name HB*  ) 2.00 0.20 3.50 
assign (resid   50 and  name HN   )(resid   49 and  name HA   ) 2.00 0.20 1.80
assign (resid   50 and  name HN   )(resid   49 and  name HG2* ) 2.00 0.20 3.00 
assign (resid   50 and  name HN   )(resid   50 and  name HA   ) 2.00 0.20 1.00 
assign (resid   50 and  name HN   )(resid   50 and  name HB*  ) 2.00 0.20 2.00 
assign (resid   50 and  name HN   )(resid   65 and  name HG   ) 2.00 0.20 3.00 
assign (resid   50 and  name HB*  )(resid   34 and  name HB*  ) 2.00 0.20 5.50 
assign (resid   50 and  name HB*  )(resid   70 and  name HB*  ) 2.00 0.20 5.00 
assign (resid   50 and  name HB*  )(resid   65 and  name HD*  ) 2.00 0.20 5.50 

remarks Ala51   

assign (resid   51 and  name HN   )(resid   50 and  name HA   ) 2.00 0.20 1.50 
assign (resid   51 and  name HN   )(resid   50 and  name HB*  ) 2.00 0.20 2.50 
assign (resid   51 and  name HN   )(resid   51 and  name HA   ) 2.00 0.20 2.00
assign (resid   51 and  name HN   )(resid   51 and  name HB*  ) 2.00 0.20 2.00 
assign (resid   51 and  name HN   )(resid   50 and  name HN   ) 2.00 0.20 3.00 
assign (resid   51 and  name HN   )(resid   52 and  name HN   ) 2.00 0.20 3.00 
assign (resid   51 and  name HN   )(resid   91 and  name HD*  ) 2.00 0.20 5.00
assign (resid   51 and  name HB*  )(resid   89 and  name HA   ) 2.00 0.20 4.50
assign (resid   51 and  name HB*  )(resid   89 and  name HB*  ) 2.00 0.20 4.00
assign (resid   51 and  name HB*  )(resid   91 and  name HA   ) 2.00 0.20 3.50 
assign (resid   51 and  name HB*  )(resid   91 and  name HD*  ) 2.00 0.20 6.00

remarks Ile52   

assign (resid   52 and  name HN   )(resid   51 and  name HA   ) 2.00 0.20 0.50
assign (resid   52 and  name HN   )(resid   51 and  name HB*  ) 2.00 0.20 3.00 
assign (resid   52 and  name HN   )(resid   52 and  name HA   ) 2.00 0.20 2.00
assign (resid   52 and  name HN   )(resid   52 and  name HB   ) 2.00 0.20 1.00 
assign (resid   52 and  name HN   )(resid   52 and  name HG1* ) 2.00 0.20 3.00 
assign (resid   52 and  name HN   )(resid   90 and  name HB   ) 2.00 0.20 2.50
assign (resid   52 and  name HN   )(resid   90 and  name HG*  ) 2.00 0.20 4.00
assign (resid   52 and  name HA   )(resid   52 and  name HB   ) 2.00 0.20 1.50 
assign (resid   52 and  name HA   )(resid   52 and  name HD*  ) 2.00 0.20 2.00
assign (resid   52 and  name HA   )(resid   53 and  name HD*  ) 2.00 0.20 1.00 

remarks Pro53   

assign (resid   53 and  name HB*  )(resid   74 and  name HG*  ) 2.00 0.20 6.00
assign (resid   53 and  name HB*  )(resid   86 and  name HG*  ) 2.00 0.20 6.00
assign (resid   53 and  name HG*  )(resid   74 and  name HG*  ) 2.00 0.20 6.00
assign (resid   53 and  name HD*  )(resid   72 and  name HB*  ) 2.00 0.20 4.00 
assign (resid   53 and  name HA   )(resid   53 and  name HG*  ) 2.00 0.20 3.00 

remarks Thr54   

assign (resid   54 and  name HN   )(resid   53 and  name HA   ) 2.00 0.20 0.50
assign (resid   54 and  name HN   )(resid   53 and  name HB*  ) 2.00 0.20 3.00 
assign (resid   54 and  name HN   )(resid   54 and  name HA   ) 2.00 0.20 1.80
assign (resid   54 and  name HN   )(resid   54 and  name HB   ) 2.00 0.20 2.50 
assign (resid   54 and  name HN   )(resid   54 and  name HG2* ) 2.00 0.20 2.50 
assign (resid   54 and  name HN   )(resid   86 and  name HG*  ) 2.00 0.20 5.50 
assign (resid   54 and  name HN   )(resid   88 and  name HN   ) 2.00 0.20 2.50
assign (resid   54 and  name HN   )(resid   90 and  name HN   ) 2.00 0.20 2.50 
assign (resid   54 and  name HN   )(resid   89 and  name HA   ) 2.00 0.20 1.50
assign (resid   54 and  name HA   )(resid   54 and  name HB   ) 2.00 0.20 0.40
assign (resid   54 and  name HA   )(resid   54 and  name HG2* ) 2.00 0.20 1.50

remarks Gly55   

assign (resid   55 and  name HN   )(resid   54 and  name HA   ) 2.00 0.20 0.80 
assign (resid   55 and  name HN   )(resid   54 and  name HB   ) 2.00 0.20 1.00 
assign (resid   55 and  name HN   )(resid   54 and  name HG2* ) 2.00 0.20 3.50
assign (resid   55 and  name HN   )(resid   56 and  name HN   ) 2.00 0.20 1.50
assign (resid   55 and  name HN   )(resid   87 and  name HG2* ) 2.00 0.20 4.50 

remarks Tyr56   

assign (resid   56 and  name HN   )(resid   54 and  name HA   ) 2.00 0.20 2.50 
assign (resid   56 and  name HN   )(resid   54 and  name HG2* ) 2.00 0.20 5.00 
assign (resid   56 and  name HN   )(resid   55 and  name HA*  ) 2.00 0.20 1.50
assign (resid   56 and  name HN   )(resid   56 and  name HA   ) 2.00 0.20 1.50
assign (resid   56 and  name HN   )(resid   56 and  name HB*  ) 2.00 0.20 2.50
assign (resid   56 and  name HN   )(resid   56 and  name HD*  ) 2.00 0.20 3.50 
assign (resid   56 and  name HN   )(resid   56 and  name HE*  ) 2.00 0.20 5.00 
assign (resid   56 and  name HA   )(resid   86 and  name HA   ) 2.00 0.20 2.00
assign (resid   56 and  name HD*  )(resid   58 and  name HG2* ) 2.00 0.20 6.00
assign (resid   56 and  name HD*  )(resid   61 and  name HB*  ) 2.00 0.20 5.00 
assign (resid   56 and  name HD*  )(resid   74 and  name HG*  ) 2.00 0.20 5.00
assign (resid   56 and  name HD*  )(resid   58 and  name HA   ) 2.00 0.20 5.50 
assign (resid   56 and  name HD*  )(resid   85 and  name HA   ) 2.00 0.20 6.00 
assign (resid   56 and  name HD*  )(resid   86 and  name HA   ) 2.00 0.20 5.00 
assign (resid   56 and  name HD*  )(resid   86 and  name HG*  ) 2.00 0.20 5.00 
assign (resid   56 and  name HE*  )(resid   61 and  name HB*  ) 2.00 0.20 6.00
assign (resid   56 and  name HE*  )(resid   53 and  name HB*  ) 2.00 0.20 6.00 
assign (resid   56 and  name HE*  )(resid   53 and  name HG*  ) 2.00 0.20 5.50 
assign (resid   56 and  name HE*  )(resid   58 and  name HA   ) 2.00 0.20 4.50 
assign (resid   56 and  name HE*  )(resid   85 and  name HA   ) 2.00 0.20 6.00 
assign (resid   56 and  name HE*  )(resid   86 and  name HA   ) 2.00 0.20 5.50 
assign (resid   56 and  name HE*  )(resid   58 and  name HG2* ) 2.00 0.20 4.50
assign (resid   56 and  name HE*  )(resid   74 and  name HG*  ) 2.00 0.20 5.50
assign (resid   56 and  name HE*  )(resid   86 and  name HG*  ) 2.00 0.20 6.00

remarks Asp57                                                                       
                                                                                    
assign (resid   57 and  name HN   )(resid   57 and  name HA   ) 2.00 0.20 1.50 
assign (resid   57 and  name HN   )(resid   57 and  name HB*  ) 2.00 0.20 2.50 

remarks Thr58   

assign (resid   58 and  name HN   )(resid   57 and  name HB*  ) 2.00 0.20 2.50
assign (resid   58 and  name HN   )(resid   58 and  name HA   ) 2.00 0.20 2.00
assign (resid   58 and  name HN   )(resid   58 and  name HB   ) 2.00 0.20 2.50
assign (resid   58 and  name HN   )(resid   58 and  name HG2* ) 2.00 0.20 3.00
assign (resid   58 and  name HA   )(resid   58 and  name HB   ) 2.00 0.20 0.40
assign (resid   58 and  name HA   )(resid   58 and  name HG2* ) 2.00 0.20 2.00 
 
remarks Asn59   

assign (resid   59 and  name HN   )(resid   58 and  name HA   ) 2.00 0.20 2.50
assign (resid   59 and  name HN   )(resid   58 and  name HB   ) 2.00 0.20 2.50
assign (resid   59 and  name HN   )(resid   58 and  name HG2* ) 2.00 0.20 4.00 
assign (resid   59 and  name HN   )(resid   58 and  name HN   ) 2.00 0.20 2.50
assign (resid   59 and  name HN   )(resid   59 and  name HA   ) 2.00 0.20 1.00
assign (resid   59 and  name HN   )(resid   59 and  name HB*  ) 2.00 0.20 1.00
assign (resid   59 and  name HN   )(resid   60 and  name HN   ) 2.00 0.20 0.50 
assign (resid   59 and  name HN   )(resid   85 and  name HB*  ) 2.00 0.20 4.50 

remarks Lys60   

assign (resid   60 and  name HN   )(resid   59 and  name HA   ) 2.00 0.20 2.50
assign (resid   60 and  name HN   )(resid   59 and  name HB*  ) 2.00 0.20 2.00
assign (resid   60 and  name HN   )(resid   60 and  name HA   ) 2.00 0.20 1.00 
assign (resid   60 and  name HN   )(resid   60 and  name HB*  ) 2.00 0.20 2.50
assign (resid   60 and  name HN   )(resid   60 and  name HG*  ) 2.00 0.20 3.50 
assign (resid   60 and  name HN   )(resid   61 and  name HN   ) 2.00 0.20 0.80 
assign (resid   60 and  name HA   )(resid   60 and  name HG*  ) 2.00 0.20 2.50 
assign (resid   60 and  name HA   )(resid   60 and  name HD*  ) 2.00 0.20 3.00 

remarks Cys61  

assign (resid   61 and  name HN   )(resid   60 and  name HA   ) 2.00 0.20 1.50 
assign (resid   61 and  name HN   )(resid   60 and  name HB*  ) 2.00 0.20 2.50
assign (resid   61 and  name HN   )(resid   60 and  name HG*  ) 2.00 0.20 3.50 
assign (resid   61 and  name HN   )(resid   61 and  name HA   ) 2.00 0.20 1.50
assign (resid   61 and  name HN   )(resid   61 and  name HB*  ) 2.00 0.20 2.00 
assign (resid   61 and  name HN   )(resid   77 and  name HG*  ) 2.00 0.20 4.00 
assign (resid   61 and  name HA   )(resid   76 and  name HA   ) 2.00 0.20 0.80
assign (resid   61 and  name HA   )(resid   76 and  name HB*  ) 2.00 0.20 3.00
assign (resid   61 and  name HA   )(resid   76 and  name HG*  ) 2.00 0.20 4.00
assign (resid   61 and  name HA   )(resid   77 and  name HN   ) 2.00 0.20 1.00 

remarks Gln62  

assign (resid   62 and  name HN   )(resid   61 and  name HA   ) 2.00 0.20 0.50
assign (resid   62 and  name HN   )(resid   61 and  name HB*  ) 2.00 0.20 2.00 
assign (resid   62 and  name HN   )(resid   62 and  name HA   ) 2.00 0.20 1.50
assign (resid   62 and  name HN   )(resid   62 and  name HB*  ) 2.00 0.20 3.00
assign (resid   62 and  name HN   )(resid   62 and  name HG*  ) 2.00 0.20 2.50
assign (resid   62 and  name HN   )(resid   74 and  name HA   ) 2.00 0.20 2.30
assign (resid   62 and  name HN   )(resid   74 and  name HG*  ) 2.00 0.20 4.50 
assign (resid   62 and  name HN   )(resid   75 and  name HN   ) 2.00 0.20 1.50
assign (resid   62 and  name HN   )(resid   75 and  name HG*  ) 2.00 0.20 5.50 
assign (resid   62 and  name HN   )(resid   76 and  name HA   ) 2.00 0.20 1.80
assign (resid   62 and  name HN   )(resid   77 and  name HN   ) 2.00 0.20 2.50 
assign (resid   62 and  name HA   )(resid   62 and  name HG*  ) 2.00 0.20 1.50
assign (resid   62 and  name HE2* )(resid   75 and  name HG*  ) 2.00 0.20 5.50
assign (resid   62 and  name HE2* )(resid   77 and  name HA   ) 2.00 0.20 4.50 

remarks Lys63  

assign (resid   63 and  name HN   )(resid   62 and  name HA   ) 2.00 0.20 0.50 
assign (resid   63 and  name HN   )(resid   62 and  name HB*  ) 2.00 0.20 3.00
assign (resid   63 and  name HN   )(resid   62 and  name HG*  ) 2.00 0.20 2.50
assign (resid   63 and  name HN   )(resid   63 and  name HA   ) 2.00 0.20 2.50
assign (resid   63 and  name HN   )(resid   63 and  name HB*  ) 2.00 0.20 3.00
assign (resid   63 and  name HN   )(resid   63 and  name HG*  ) 2.00 0.20 3.50
assign (resid   63 and  name HN   )(resid   63 and  name HD*  ) 2.00 0.20 4.00 
assign (resid   63 and  name HA   )(resid   63 and  name HG*  ) 2.00 0.20 2.00
assign (resid   63 and  name HA   )(resid   63 and  name HD*  ) 2.00 0.20 3.50 
assign (resid   63 and  name HA   )(resid   74 and  name HA   ) 2.00 0.20 0.80

remarks Ile64  

assign (resid   64 and  name HN   )(resid   63 and  name HN   ) 2.00 0.20 2.50
assign (resid   64 and  name HN   )(resid   63 and  name HA   ) 2.00 0.20 0.50
assign (resid   64 and  name HN   )(resid   63 and  name HB*  ) 2.00 0.20 3.00
assign (resid   64 and  name HN   )(resid   63 and  name HG*  ) 2.00 0.20 3.50
assign (resid   64 and  name HN   )(resid   64 and  name HA   ) 2.00 0.20 1.50
assign (resid   64 and  name HN   )(resid   64 and  name HB   ) 2.00 0.20 1.00  
assign (resid   64 and  name HN   )(resid   64 and  name HG1* ) 2.00 0.20 3.50
assign (resid   64 and  name HN   )(resid   64 and  name HD*  ) 2.00 0.20 4.00 
assign (resid   64 and  name HN   )(resid   73 and  name HN   ) 2.00 0.20 1.50 
assign (resid   64 and  name HN   )(resid   74 and  name HA   ) 2.00 0.20 1.50
assign (resid   64 and  name HN   )(resid   74 and  name HG*  ) 2.00 0.20 6.00
assign (resid   64 and  name HA   )(resid   64 and  name HB   ) 2.00 0.20 1.00 
assign (resid   64 and  name HA   )(resid   64 and  name HG1* ) 2.00 0.20 2.00 
assign (resid   64 and  name HA   )(resid   64 and  name HG2* ) 2.00 0.20 2.50 
assign (resid   64 and  name HD*  )(resid   62 and  name HG*  ) 2.00 0.20 6.00

remarks Leu65 

assign (resid   65 and  name HN   )(resid   64 and  name HA   ) 2.00 0.20 0.50
assign (resid   65 and  name HN   )(resid   64 and  name HB   ) 2.00 0.20 2.50 
assign (resid   65 and  name HN   )(resid   65 and  name HA   ) 2.00 0.20 2.00
assign (resid   65 and  name HN   )(resid   65 and  name HB*  ) 2.00 0.20 2.00 
assign (resid   65 and  name HN   )(resid   65 and  name HG   ) 2.00 0.20 2.50 
assign (resid   65 and  name HN   )(resid   65 and  name HD*  ) 2.00 0.20 5.00
assign (resid   65 and  name HA   )(resid   65 and  name HG   ) 2.00 0.20 2.00
assign (resid   65 and  name HA   )(resid   65 and  name HD*  ) 2.00 0.20 3.00
assign (resid   65 and  name HA   )(resid   72 and  name HA   ) 2.00 0.20 0.80
assign (resid   65 and  name HA   )(resid   73 and  name HN   ) 2.00 0.20 1.50
assign (resid   65 and  name HD*  )(resid   34 and  name HB*  ) 2.00 0.20 5.00
assign (resid   65 and  name HD*  )(resid   67 and  name HA   ) 2.00 0.20 5.00
assign (resid   65 and  name HD*  )(resid   67 and  name HG*  ) 2.00 0.20 6.00
assign (resid   65 and  name HD*  )(resid   70 and  name HA   ) 2.00 0.20 4.50
assign (resid   65 and  name HD*  )(resid   70 and  name HB*  ) 2.00 0.20 6.00
assign (resid   65 and  name HD*  )(resid   71 and  name HA   ) 2.00 0.20 6.00
assign (resid   65 and  name HD*  )(resid   72 and  name HA   ) 2.00 0.20 5.00

remarks Asn66  

assign (resid   66 and  name HN   )(resid   65 and  name HA   ) 2.00 0.20 0.50
assign (resid   66 and  name HN   )(resid   65 and  name HB*  ) 2.00 0.20 3.50
assign (resid   66 and  name HN   )(resid   65 and  name HG   ) 2.00 0.20 3.50
assign (resid   66 and  name HN   )(resid   65 and  name HD*  ) 2.00 0.20 4.50
assign (resid   66 and  name HN   )(resid   66 and  name HA   ) 2.00 0.20 1.50 
assign (resid   66 and  name HN   )(resid   66 and  name HB*  ) 2.00 0.20 1.50
assign (resid   66 and  name HN   )(resid   71 and  name HN   ) 2.00 0.20 1.80
assign (resid   66 and  name HN   )(resid   72 and  name HA   ) 2.00 0.20 1.50                                                                                    

remarks Lys67  

assign (resid   67 and  name HN   )(resid   66 and  name HA   ) 2.00 0.20 0.50 
assign (resid   67 and  name HN   )(resid   66 and  name HB*  ) 2.00 0.20 3.50 
assign (resid   67 and  name HN   )(resid   67 and  name HA   ) 2.00 0.20 1.50 
assign (resid   67 and  name HN   )(resid   67 and  name HB*  ) 2.00 0.20 1.50 
assign (resid   67 and  name HN   )(resid   67 and  name HG*  ) 2.00 0.20 3.50
assign (resid   67 and  name HN   )(resid   67 and  name HD*  ) 2.00 0.20 3.00 
assign (resid   67 and  name HN   )(resid   68 and  name HN   ) 2.00 0.20 1.50 
assign (resid   67 and  name HN   )(resid   70 and  name HA   ) 2.00 0.20 3.50 
assign (resid   67 and  name HA   )(resid   67 and  name HG*  ) 2.00 0.20 2.50 
assign (resid   67 and  name HA   )(resid   67 and  name HD*  ) 2.00 0.20 2.50 
assign (resid   67 and  name HA   )(resid   71 and  name HN   ) 2.00 0.20 2.00

remarks Lys68  

assign (resid   68 and  name HN   )(resid   66 and  name HA   ) 2.00 0.20 3.50
assign (resid   68 and  name HN   )(resid   67 and  name HA   ) 2.00 0.20 2.50
assign (resid   68 and  name HN   )(resid   68 and  name HA   ) 2.00 0.20 0.80
assign (resid   68 and  name HN   )(resid   68 and  name HB*  ) 2.00 0.20 1.50 
assign (resid   68 and  name HN   )(resid   68 and  name HG*  ) 2.00 0.20 3.50 
assign (resid   68 and  name HN   )(resid   68 and  name HD*  ) 2.00 0.20 3.50
assign (resid   68 and  name HN   )(resid   69 and  name HN   ) 2.00 0.20 0.80 
assign (resid   68 and  name HN   )(resid   69 and  name HG2* ) 2.00 0.20 5.00
assign (resid   68 and  name HA   )(resid   68 and  name HG*  ) 2.00 0.20 2.50 
assign (resid   68 and  name HA   )(resid   68 and  name HD*  ) 2.00 0.20 2.50 

remarks Thr69  

assign (resid   69 and  name HN   )(resid   67 and  name HA   ) 2.00 0.20 3.50
assign (resid   69 and  name HN   )(resid   67 and  name HN   ) 2.00 0.20 3.50 
assign (resid   69 and  name HN   )(resid   68 and  name HA   ) 2.00 0.20 2.00 
assign (resid   69 and  name HN   )(resid   68 and  name HB*  ) 2.00 0.20 2.50 
assign (resid   69 and  name HN   )(resid   68 and  name HD*  ) 2.00 0.20 4.50  
assign (resid   69 and  name HN   )(resid   69 and  name HA   ) 2.00 0.20 1.500    
assign (resid   69 and  name HN   )(resid   69 and  name HB   ) 2.00 0.20 2.00 
assign (resid   69 and  name HN   )(resid   69 and  name HG2* ) 2.00 0.20 3.00
assign (resid   69 and  name HN   )(resid   71 and  name HN   ) 2.00 0.20 3.00 
assign (resid   69 and  name HA   )(resid   69 and  name HG2* ) 2.00 0.20 1.20

remarks Cys70  

assign (resid   70 and  name HN   )(resid   65 and  name HD*  ) 2.00 0.20 6.00 
assign (resid   70 and  name HN   )(resid   67 and  name HA   ) 2.00 0.20 3.00
assign (resid   70 and  name HN   )(resid   69 and  name HA   ) 2.00 0.20 2.00 
assign (resid   70 and  name HN   )(resid   69 and  name HB   ) 2.00 0.20 3.00 
assign (resid   70 and  name HN   )(resid   69 and  name HG2* ) 2.00 0.20 4.50
assign (resid   70 and  name HN   )(resid   69 and  name HN   ) 2.00 0.20 1.00 
assign (resid   70 and  name HN   )(resid   70 and  name HA   ) 2.00 0.20 2.00 
assign (resid   70 and  name HN   )(resid   70 and  name HB*  ) 2.00 0.20 3.50
assign (resid   70 and  name HN   )(resid   71 and  name HN   ) 2.00 0.20 1.50 
assign (resid   70 and  name HA   )(resid   34 and  name HB*  ) 2.00 0.20 2.50
assign (resid   70 and  name HB*  )(resid   65 and  name HG   ) 2.00 0.20 5.00

remarks Thr71  

assign (resid   71 and  name HN   )(resid   65 and  name HA   ) 2.00 0.20 3.00 
assign (resid   71 and  name HN   )(resid   65 and  name HG   ) 2.00 0.20 3.50 
assign (resid   71 and  name HN   )(resid   65 and  name HD*  ) 2.00 0.20 5.00 
assign (resid   71 and  name HN   )(resid   66 and  name HB*  ) 2.00 0.20 2.50
assign (resid   71 and  name HN   )(resid   70 and  name HA   ) 2.00 0.20 0.50
assign (resid   71 and  name HN   )(resid   70 and  name HB*  ) 2.00 0.20 3.50 
assign (resid   71 and  name HN   )(resid   71 and  name HA   ) 2.00 0.20 1.50 
assign (resid   71 and  name HN   )(resid   71 and  name HB   ) 2.00 0.20 3.00
assign (resid   71 and  name HN   )(resid   71 and  name HG2* ) 2.00 0.20 3.50
assign (resid   71 and  name HA   )(resid   71 and  name HB   ) 2.00 0.20 0.40
assign (resid   71 and  name HA   )(resid   71 and  name HG2* ) 2.00 0.20 2.00 
assign (resid   71 and  name HG2* )(resid   34 and  name HB*  ) 2.00 0.20 6.00
assign (resid   71 and  name HG2* )(resid   65 and  name HD*  ) 2.00 0.20 5.50
assign (resid   71 and  name HG2* )(resid   70 and  name HB*  ) 2.00 0.20 5.50

remarks Tyr72  

assign (resid   72 and  name HN   )(resid   71 and  name HA   ) 2.00 0.20 0.50
assign (resid   72 and  name HN   )(resid   71 and  name HB   ) 2.00 0.20 2.50 
assign (resid   72 and  name HN   )(resid   71 and  name HG2* ) 2.00 0.20 3.50
assign (resid   72 and  name HN   )(resid   72 and  name HA   ) 2.00 0.20 1.50  
assign (resid   72 and  name HN   )(resid   72 and  name HB*  ) 2.00 0.20 2.00 
assign (resid   72 and  name HA   )(resid   53 and  name HG*  ) 2.00 0.20 3.50
assign (resid   72 and  name HA   )(resid   65 and  name HD*  ) 2.00 0.20 5.00
assign (resid   72 and  name HD*  )(resid   63 and  name HB*  ) 2.00 0.20 5.50
assign (resid   72 and  name HD*  )(resid   63 and  name HG*  ) 2.00 0.20 5.50
assign (resid   72 and  name HD*  )(resid   65 and  name HA   ) 2.00 0.20 3.00
assign (resid   72 and  name HD*  )(resid   65 and  name HD*  ) 2.00 0.20 6.00
assign (resid   72 and  name HD*  )(resid   50 and  name HB*  ) 2.00 0.20 5.50
assign (resid   72 and  name HD*  )(resid   72 and  name HA   ) 2.00 0.20 4.00 
assign (resid   72 and  name HD*  )(resid   72 and  name HB*  ) 2.00 0.20 2.50 
assign (resid   72 and  name HE*  )(resid   52 and  name HB   ) 2.00 0.20 4.00
assign (resid   72 and  name HE*  )(resid   52 and  name HG2* ) 2.00 0.20 5.50 
assign (resid   72 and  name HE*  )(resid   52 and  name HD*  ) 2.00 0.20 4.50                                                                        
assign (resid   72 and  name HE*  )(resid   63 and  name HB*  ) 2.00 0.20 6.00
assign (resid   72 and  name HE*  )(resid   63 and  name HG*  ) 2.00 0.20 6.00
assign (resid   72 and  name HE*  )(resid   65 and  name HA   ) 2.00 0.20 4.50
assign (resid   72 and  name HE*  )(resid   65 and  name HB*  ) 2.00 0.20 5.00
assign (resid   72 and  name HE*  )(resid   65 and  name HD*  ) 2.00 0.20 5.50
assign (resid   72 and  name HE*  )(resid   50 and  name HB*  ) 2.00 0.20 5.00
assign (resid   72 and  name HE*  )(resid   72 and  name HB*  ) 2.00 0.20 3.50 
 
remarks Thr73  

assign (resid   73 and  name HN   )(resid   64 and  name HB   ) 2.00 0.20 3.00
assign (resid   73 and  name HN   )(resid   72 and  name HA   ) 2.00 0.20 0.50
assign (resid   73 and  name HN   )(resid   72 and  name HB*  ) 2.00 0.20 2.50
assign (resid   73 and  name HN   )(resid   73 and  name HA   ) 2.00 0.20 1.50 
assign (resid   73 and  name HN   )(resid   73 and  name HB   ) 2.00 0.20 2.50
assign (resid   73 and  name HN   )(resid   73 and  name HG2* ) 2.00 0.20 4.00
assign (resid   73 and  name HA   )(resid   73 and  name HB   ) 2.00 0.20 0.40
assign (resid   73 and  name HA   )(resid   73 and  name HG2* ) 2.00 0.20 2.00 
assign (resid   73 and  name HG2* )(resid   64 and  name HB   ) 2.00 0.20 4.50
assign (resid   73 and  name HG2* )(resid   64 and  name HG2* ) 2.00 0.20 5.00

remarks Val74  

assign (resid   74 and  name HN   )(resid   63 and  name HA   ) 2.00 0.20 3.00 
assign (resid   74 and  name HN   )(resid   73 and  name HA   ) 2.00 0.20 0.80
assign (resid   74 and  name HN   )(resid   73 and  name HB   ) 2.00 0.20 1.50 
assign (resid   74 and  name HN   )(resid   73 and  name HG2* ) 2.00 0.20 3.50
assign (resid   74 and  name HN   )(resid   74 and  name HA   ) 2.00 0.20 1.50
assign (resid   74 and  name HN   )(resid   74 and  name HB   ) 2.00 0.20 1.00
assign (resid   74 and  name HN   )(resid   74 and  name HG*  ) 2.00 0.20 5.00
assign (resid   74 and  name HN   )(resid   64 and  name HG2* ) 2.00 0.20 5.00 
assign (resid   74 and  name HA   )(resid   74 and  name HB   ) 2.00 0.20 1.50 
assign (resid   74 and  name HA   )(resid   74 and  name HG*  ) 2.00 0.20 1.50 
assign (resid   74 and  name HG*  )(resid   53 and  name HA   ) 2.00 0.20 5.00
assign (resid   74 and  name HG*  )(resid   56 and  name HB*  ) 2.00 0.20 6.00
assign (resid   74 and  name HG*  )(resid   61 and  name HA   ) 2.00 0.20 5.00 
assign (resid   74 and  name HG*  )(resid   61 and  name HB*  ) 2.00 0.20 4.50
assign (resid   74 and  name HG*  )(resid   63 and  name HA   ) 2.00 0.20 3.50 
assign (resid   74 and  name HG*  )(resid   63 and  name HB*  ) 2.00 0.20 5.50 
assign (resid   74 and  name HG*  )(resid   84 and  name HA   ) 2.00 0.20 6.00
assign (resid   74 and  name HG*  )(resid   84 and  name HB*  ) 2.00 0.20 5.00
assign (resid   74 and  name HG*  )(resid   86 and  name HA   ) 2.00 0.20 5.00
assign (resid   74 and  name HG*  )(resid   86 and  name HG*  ) 2.00 0.20 6.00

remarks Val75  

assign (resid   75 and  name HN   )(resid   61 and  name HB*  ) 2.00 0.20 4.00 
assign (resid   75 and  name HN   )(resid   62 and  name HG*  ) 2.00 0.20 4.00 
assign (resid   75 and  name HN   )(resid   64 and  name HN   ) 2.00 0.20 2.50 
assign (resid   75 and  name HN   )(resid   74 and  name HA   ) 2.00 0.20 0.80
assign (resid   75 and  name HN   )(resid   74 and  name HG*  ) 2.00 0.20 5.00
assign (resid   75 and  name HN   )(resid   75 and  name HA   ) 2.00 0.20 1.20  
assign (resid   75 and  name HN   )(resid   75 and  name HB   ) 2.00 0.20 3.00
assign (resid   75 and  name HN   )(resid   75 and  name HG*  ) 2.00 0.20 4.50
assign (resid   75 and  name HA   )(resid   75 and  name HB   ) 2.00 0.20 0.60
assign (resid   75 and  name HA   )(resid   75 and  name HG*  ) 2.00 0.20 1.50
assign (resid   75 and  name HA   )(resid   80 and  name HA   ) 2.00 0.20 3.00 
assign (resid   75 and  name HA   )(resid   83 and  name HA   ) 2.00 0.20 1.00
assign (resid   75 and  name HA   )(resid   83 and  name HB   ) 2.00 0.20 3.50
assign (resid   75 and  name HA   )(resid   83 and  name HG2* ) 2.00 0.20 3.50
assign (resid   75 and  name HG*  )(resid   19 and  name HB*  ) 2.00 0.20 5.50 
assign (resid   75 and  name HG*  )(resid   80 and  name HB*  ) 2.00 0.20 6.00 

remarks Glu76  

assign (resid   76 and  name HN   )(resid   75 and  name HA   ) 2.00 0.20 0.80 
assign (resid   76 and  name HN   )(resid   75 and  name HB   ) 2.00 0.20 2.00 
assign (resid   76 and  name HN   )(resid   75 and  name HG*  ) 2.00 0.20 5.00
assign (resid   76 and  name HN   )(resid   76 and  name HA   ) 2.00 0.20 2.50 
assign (resid   76 and  name HN   )(resid   76 and  name HB*  ) 2.00 0.20 3.00 
assign (resid   76 and  name HN   )(resid   76 and  name HG*  ) 2.00 0.20 2.50
assign (resid   76 and  name HA   )(resid   74 and  name HG*  ) 2.00 0.20 6.00
assign (resid   76 and  name HA   )(resid   76 and  name HG*  ) 2.00 0.20 1.00

remarks Lys77  

assign (resid   77 and  name HN   )(resid   19 and  name HB*  ) 2.00 0.20 3.50
assign (resid   77 and  name HN   )(resid   76 and  name HA   ) 2.00 0.20 0.50
assign (resid   77 and  name HN   )(resid   76 and  name HB*  ) 2.00 0.20 3.50
assign (resid   77 and  name HN   )(resid   76 and  name HG*  ) 2.00 0.20 4.00
assign (resid   77 and  name HN   )(resid   77 and  name HA   ) 2.00 0.20 1.80
assign (resid   77 and  name HN   )(resid   77 and  name HB*  ) 2.00 0.20 2.50
assign (resid   77 and  name HN   )(resid   77 and  name HG*  ) 2.00 0.20 3.00
assign (resid   77 and  name HN   )(resid   77 and  name HD*  ) 2.00 0.20 3.50
assign (resid   77 and  name HN   )(resid   78 and  name HN   ) 2.00 0.20 1.50 
assign (resid   77 and  name HN   )(resid   79 and  name HN   ) 2.00 0.20 3.50 
assign (resid   77 and  name HA   )(resid   19 and  name HB*  ) 2.00 0.20 3.00
assign (resid   77 and  name HA   )(resid   77 and  name HG*  ) 2.00 0.20 2.00 
assign (resid   77 and  name HA   )(resid   77 and  name HD*  ) 2.00 0.20 2.00 
assign (resid   77 and  name HA   )(resid   77 and  name HE*  ) 2.00 0.20 2.50  

remarks Lys78  

assign (resid   78 and  name HN   )(resid   61 and  name HA   ) 2.00 0.20 3.50 
assign (resid   78 and  name HN   )(resid   76 and  name HB*  ) 2.00 0.20 3.50
assign (resid   78 and  name HN   )(resid   76 and  name HG*  ) 2.00 0.20 4.50
assign (resid   78 and  name HN   )(resid   77 and  name HA   ) 2.00 0.20 2.50
assign (resid   78 and  name HN   )(resid   77 and  name HB*  ) 2.00 0.20 3.50 
assign (resid   78 and  name HN   )(resid   77 and  name HG*  ) 2.00 0.20 4.50 
assign (resid   78 and  name HN   )(resid   77 and  name HD*  ) 2.00 0.20 5.00 
assign (resid   78 and  name HN   )(resid   78 and  name HA   ) 2.00 0.20 1.00
assign (resid   78 and  name HN   )(resid   78 and  name HB*  ) 2.00 0.20 3.00
assign (resid   78 and  name HN   )(resid   78 and  name HG*  ) 2.00 0.20 3.00 
assign (resid   78 and  name HN   )(resid   79 and  name HN   ) 2.00 0.20 1.00 
assign (resid   78 and  name HA   )(resid   78 and  name HG*  ) 2.00 0.20 2.50 
assign (resid   78 and  name HA   )(resid   78 and  name HD*  ) 2.00 0.20 2.50 

remarks Asp79  

assign (resid   79 and  name HN   )(resid   19 and  name HB*  ) 2.00 0.20 3.00
assign (resid   79 and  name HN   )(resid   19 and  name HG*  ) 2.00 0.20 4.00 
assign (resid   79 and  name HN   )(resid   19 and  name HD*  ) 2.00 0.20 5.00
assign (resid   79 and  name HN   )(resid   75 and  name HG*  ) 2.00 0.20 6.00
assign (resid   79 and  name HN   )(resid   78 and  name HA   ) 2.00 0.20 1.80 
assign (resid   79 and  name HN   )(resid   78 and  name HB*  ) 2.00 0.20 3.50
assign (resid   79 and  name HN   )(resid   78 and  name HD*  ) 2.00 0.20 4.00 
assign (resid   79 and  name HN   )(resid   79 and  name HA   ) 2.00 0.20 1.50 
assign (resid   79 and  name HN   )(resid   79 and  name HB*  ) 2.00 0.20 1.00
assign (resid   79 and  name HN   )(resid   80 and  name HD*  ) 2.00 0.20 2.50 
assign (resid   79 and  name HA   )(resid   80 and  name HD*  ) 2.00 0.20 0.80

remarks Pro80  

assign (resid   80 and  name HA   )(resid   75 and  name HG*  ) 2.00 0.20 5.00 
assign (resid   80 and  name HA   )(resid   80 and  name HG*  ) 2.00 0.20 2.50 
assign (resid   80 and  name HA   )(resid   80 and  name HD*  ) 2.00 0.20 3.00 
assign (resid   80 and  name HB*  )(resid   79 and  name HA   ) 2.00 0.20 4.00 
assign (resid   80 and  name HB*  )(resid   80 and  name HD*  ) 2.00 0.20 2.50 
assign (resid   80 and  name HG*  )(resid   75 and  name HG*  ) 2.00 0.20 6.00 
assign (resid   80 and  name HG*  )(resid   79 and  name HA   ) 2.00 0.20 3.00 
assign (resid   80 and  name HD*  )(resid   75 and  name HG*  ) 2.00 0.20 6.00 
assign (resid   80 and  name HD*  )(resid   79 and  name HB*  ) 2.00 0.20 3.50 

remarks Gly81  

assign (resid   81 and  name HN   )(resid   75 and  name HB   ) 2.00 0.20 4.00 
assign (resid   81 and  name HN   )(resid   75 and  name HG*  ) 2.00 0.20 6.00 
assign (resid   81 and  name HN   )(resid   79 and  name HA   ) 2.00 0.20 2.50 
assign (resid   81 and  name HN   )(resid   79 and  name HB*  ) 2.00 0.20 3.50 
assign (resid   81 and  name HN   )(resid   80 and  name HA   ) 2.00 0.20 2.00 
assign (resid   81 and  name HN   )(resid   80 and  name HB*  ) 2.00 0.20 4.00 
assign (resid   81 and  name HN   )(resid   80 and  name HG*  ) 2.00 0.20 3.00 
assign (resid   81 and  name HN   )(resid   80 and  name HD*  ) 2.00 0.20 2.50 
assign (resid   81 and  name HN   )(resid   82 and  name HB*  ) 2.00 0.20 3.00 
assign (resid   81 and  name HN   )(resid   82 and  name HG*  ) 2.00 0.20 3.00 
assign (resid   81 and  name HN   )(resid   82 and  name HN   ) 2.00 0.20 2.00 

remarks Lys82  

assign (resid   82 and  name HN   )(resid   79 and  name HB*  ) 2.00 0.20 3.50
assign (resid   82 and  name HN   )(resid   75 and  name HB   ) 2.00 0.20 3.50 
assign (resid   82 and  name HN   )(resid   75 and  name HG*  ) 2.00 0.20 6.00 
assign (resid   82 and  name HN   )(resid   81 and  name HA*  ) 2.00 0.20 3.00
assign (resid   82 and  name HN   )(resid   82 and  name HA   ) 2.00 0.20 1.00 
assign (resid   82 and  name HN   )(resid   82 and  name HB*  ) 2.00 0.20 2.00
assign (resid   82 and  name HN   )(resid   82 and  name HG*  ) 2.00 0.20 3.00
assign (resid   82 and  name HA   )(resid   82 and  name HG*  ) 2.00 0.20 2.00 
assign (resid   82 and  name HA   )(resid   82 and  name HD*  ) 2.00 0.20 2.50 

remarks Thr83  

assign (resid   83 and  name HN   )(resid   82 and  name HA   ) 2.00 0.20 0.80
assign (resid   83 and  name HN   )(resid   82 and  name HB*  ) 2.00 0.20 3.00
assign (resid   83 and  name HN   )(resid   83 and  name HA   ) 2.00 0.20 2.00
assign (resid   83 and  name HN   )(resid   83 and  name HB   ) 2.00 0.20 2.50
assign (resid   83 and  name HN   )(resid   83 and  name HG2* ) 2.00 0.20 2.50
assign (resid   83 and  name HA   )(resid   75 and  name HB   ) 2.00 0.20 3.00
assign (resid   83 and  name HA   )(resid   75 and  name HG*  ) 2.00 0.20 4.00
assign (resid   83 and  name HA   )(resid   83 and  name HB   ) 2.00 0.20 1.00 
assign (resid   83 and  name HA   )(resid   83 and  name HG2* ) 2.00 0.20 2.00 
assign (resid   83 and  name HB   )(resid   75 and  name HG*  ) 2.00 0.20 5.50

remarks Cys84  

assign (resid   84 and  name HN   )(resid   83 and  name HA   ) 2.00 0.20 1.00
assign (resid   84 and  name HN   )(resid   83 and  name HB   ) 2.00 0.20 2.50
assign (resid   84 and  name HN   )(resid   83 and  name HG2* ) 2.00 0.20 3.00
assign (resid   84 and  name HN   )(resid   84 and  name HA   ) 2.00 0.20 1.50 
assign (resid   84 and  name HN   )(resid   84 and  name HB*  ) 2.00 0.20 1.50
assign (resid   84 and  name HN   )(resid   74 and  name HB   ) 2.00 0.20 3.00
assign (resid   84 and  name HN   )(resid   74 and  name HG*  ) 2.00 0.20 5.50
assign (resid   84 and  name HN   )(resid   75 and  name HA   ) 2.00 0.20 1.50 

remarks Asp85  

assign (resid   85 and  name HN   )(resid   84 and  name HA   ) 2.00 0.20 0.80 
assign (resid   85 and  name HN   )(resid   84 and  name HB*  ) 2.00 0.20 1.50 
assign (resid   85 and  name HN   )(resid   84 and  name HN   ) 2.00 0.20 3.00 
assign (resid   85 and  name HN   )(resid   85 and  name HA   ) 2.00 0.20 1.50 
assign (resid   85 and  name HN   )(resid   85 and  name HB*  ) 2.00 0.20 2.50

remarks Val86  

assign (resid   86 and  name HN   )(resid   85 and  name HA   ) 2.00 0.20 0.80
assign (resid   86 and  name HN   )(resid   85 and  name HB*  ) 2.00 0.20 2.50
assign (resid   86 and  name HN   )(resid   86 and  name HA   ) 2.00 0.20 2.00
assign (resid   86 and  name HN   )(resid   86 and  name HB   ) 2.00 0.20 1.00
assign (resid   86 and  name HN   )(resid   86 and  name HG*  ) 2.00 0.20 4.50
assign (resid   86 and  name HA   )(resid   86 and  name HB   ) 2.00 0.20 1.00 
assign (resid   86 and  name HA   )(resid   86 and  name HG*  ) 2.00 0.20 1.50
assign (resid   86 and  name HG*  )(resid   53 and  name HA   ) 2.00 0.20 5.00
assign (resid   86 and  name HG*  )(resid   56 and  name HA   ) 2.00 0.20 5.50 
assign (resid   86 and  name HG*  )(resid   56 and  name HB*  ) 2.00 0.20 5.00
assign (resid   86 and  name HG*  )(resid   74 and  name HB   ) 2.00 0.20 4.50
assign (resid   86 and  name HG*  )(resid   85 and  name HA   ) 2.00 0.20 5.00
 
remarks Thr87  

assign (resid   87 and  name HN   )(resid   55 and  name HA*  ) 2.00 0.20 4.00
assign (resid   87 and  name HN   )(resid   56 and  name HB*  ) 2.00 0.20 4.50
assign (resid   87 and  name HN   )(resid   86 and  name HA   ) 2.00 0.20 0.80
assign (resid   87 and  name HN   )(resid   86 and  name HB   ) 2.00 0.20 1.50
assign (resid   87 and  name HN   )(resid   86 and  name HG*  ) 2.00 0.20 5.00
assign (resid   87 and  name HN   )(resid   87 and  name HA   ) 2.00 0.20 1.00
assign (resid   87 and  name HN   )(resid   87 and  name HB   ) 2.00 0.20 2.00
assign (resid   87 and  name HN   )(resid   87 and  name HG2* ) 2.00 0.20 3.00
assign (resid   87 and  name HN   )(resid   88 and  name HN   ) 2.00 0.20 0.80
assign (resid   87 and  name HA   )(resid   87 and  name HG2* ) 2.00 0.20 1.50
assign (resid   87 and  name HB   )(resid   55 and  name HA*  ) 2.00 0.20 2.00
assign (resid   87 and  name HG2* )(resid   55 and  name HA*  ) 2.00 0.20 4.50

remarks Gly88  

assign (resid   88 and  name HN   )(resid   54 and  name HG2* ) 2.00 0.20 4.50
assign (resid   88 and  name HN   )(resid   86 and  name HB   ) 2.00 0.20 3.00 
assign (resid   88 and  name HN   )(resid   86 and  name HG*  ) 2.00 0.20 5.50
assign (resid   88 and  name HN   )(resid   87 and  name HA   ) 2.00 0.20 1.50
assign (resid   88 and  name HN   )(resid   87 and  name HG2* ) 2.00 0.20 4.50
assign (resid   88 and  name HN   )(resid   89 and  name HN   ) 2.00 0.20 3.00

remarks Trp89  

assign (resid   89 and  name HN   )(resid   88 and  name HA*  ) 2.00 0.20 0.80 
assign (resid   89 and  name HN   )(resid   89 and  name HA   ) 2.00 0.20 2.50
assign (resid   89 and  name HN   )(resid   89 and  name HB*  ) 2.00 0.20 3.00
assign (resid   89 and  name HN   )(resid   90 and  name HG*  ) 2.00 0.20 6.00
assign (resid   89 and  name HN   )(resid   90 and  name HN   ) 2.00 0.20 3.00
assign (resid   89 and  name HA   )(resid   53 and  name HA   ) 2.00 0.20 0.80
assign (resid   89 and  name HA   )(resid   54 and  name HN   ) 2.00 0.20 1.50
assign (resid   89 and  name HD1  )(resid   51 and  name HB*  ) 2.00 0.20 4.50
assign (resid   89 and  name HD1  )(resid   88 and  name HA*  ) 2.00 0.20 4.50 
assign (resid   89 and  name HD1  )(resid   89 and  name HA   ) 2.00 0.20 3.50 
assign (resid   89 and  name HD1  )(resid   89 and  name HB*  ) 2.00 0.20 2.50 
assign (resid   89 and  name HE1  )(resid   86 and  name HB   ) 2.00 0.20 3.50
assign (resid   89 and  name HE1  )(resid   86 and  name HG*  ) 2.00 0.20 5.50
assign (resid   89 and  name HZ2  )(resid   86 and  name HG*  ) 2.00 0.20 5.00

remarks Val90  

assign (resid   90 and  name HN   )(resid   52 and  name HN   ) 2.00 0.20 1.50 
assign (resid   90 and  name HN   )(resid   52 and  name HB   ) 2.00 0.20 3.00
assign (resid   90 and  name HN   )(resid   52 and  name HG1* ) 2.00 0.20 5.00
assign (resid   90 and  name HN   )(resid   53 and  name HA   ) 2.00 0.20 2.50
assign (resid   90 and  name HN   )(resid   89 and  name HA   ) 2.00 0.20 0.80
assign (resid   90 and  name HN   )(resid   89 and  name HB*  ) 2.00 0.20 3.50
assign (resid   90 and  name HN   )(resid   90 and  name HA   ) 2.00 0.20 2.00
assign (resid   90 and  name HN   )(resid   90 and  name HB   ) 2.00 0.20 1.50
assign (resid   90 and  name HN   )(resid   90 and  name HG*  ) 2.00 0.20 5.00
assign (resid   90 and  name HA   )(resid   90 and  name HB   ) 2.00 0.20 1.00
assign (resid   90 and  name HA   )(resid   90 and  name HG*  ) 2.00 0.20 2.00
assign (resid   90 and  name HG*  )(resid   54 and  name HA   ) 2.00 0.20 5.00
assign (resid   90 and  name HG*  )(resid   54 and  name HB   ) 2.00 0.20 4.50
 
remarks Leu91  

assign (resid   91 and  name HN   )(resid   90 and  name HA   ) 2.00 0.20 1.50 
assign (resid   91 and  name HN   )(resid   90 and  name HB   ) 2.00 0.20 2.50 
assign (resid   91 and  name HN   )(resid   91 and  name HA   ) 2.00 0.20 1.50 
assign (resid   91 and  name HN   )(resid   91 and  name HB*  ) 2.00 0.20 3.00
assign (resid   91 and  name HN   )(resid   91 and  name HD*  ) 2.00 0.20 4.50
assign (resid   91 and  name HA   )(resid   91 and  name HG   ) 2.00 0.20 1.00 
assign (resid   91 and  name HA   )(resid   91 and  name HD*  ) 2.00 0.20 2.00

remarks H-bonds  
 
assign (resid    3 and  name HN   )(resid   46 and  name  O   ) 2.30 0.50 0.20   
assign (resid   46 and  name HN   )(resid    3 and  name  O   ) 2.30 0.50 0.20
assign (resid    5 and  name HN   )(resid   44 and  name  O   ) 2.30 0.50 0.20   
assign (resid   44 and  name HN   )(resid    5 and  name  O   ) 2.30 0.50 0.20
assign (resid   15 and  name HN   )(resid   23 and  name  O   ) 2.30 0.50 0.20
assign (resid   37 and  name HN   )(resid   29 and  name  O   ) 2.30 0.50 0.20   
assign (resid   29 and  name HN   )(resid   37 and  name  O   ) 2.30 0.50 0.20   
assign (resid   36 and  name HN   )(resid   47 and  name  O   ) 2.30 0.50 0.20   
assign (resid   47 and  name HN   )(resid   36 and  name  O   ) 2.30 0.50 0.20   
assign (resid   38 and  name HN   )(resid   45 and  name  O   ) 2.30 0.50 0.20   
assign (resid   45 and  name HN   )(resid   38 and  name  O   ) 2.30 0.50 0.20   
assign (resid   62 and  name HN   )(resid   75 and  name  O   ) 2.30 0.50 0.20   
assign (resid   75 and  name HN   )(resid   62 and  name  O   ) 2.30 0.50 0.20   
assign (resid   64 and  name HN   )(resid   73 and  name  O   ) 2.30 0.50 0.20   
assign (resid   73 and  name HN   )(resid   64 and  name  O   ) 2.30 0.50 0.20   
assign (resid   66 and  name HN   )(resid   71 and  name  O   ) 2.30 0.50 0.20   
assign (resid   71 and  name HN   )(resid   66 and  name  O   ) 2.30 0.50 0.20   
assign (resid   90 and  name HN   )(resid   52 and  name  O   ) 2.30 0.50 0.20   
assign (resid    3 and  name N    )(resid   46 and  name  O   ) 3.00 0.50 0.30    
assign (resid   46 and  name N    )(resid    3 and  name  O   ) 3.00 0.50 0.30  
assign (resid    5 and  name N    )(resid   44 and  name  O   ) 3.00 0.50 0.30    
assign (resid   44 and  name N    )(resid    5 and  name  O   ) 3.00 0.50 0.30 
assign (resid   15 and  name N    )(resid   23 and  name  O   ) 3.00 0.50 0.30 
assign (resid   37 and  name N    )(resid   29 and  name  O   ) 3.00 0.50 0.30    
assign (resid   29 and  name N    )(resid   37 and  name  O   ) 3.00 0.50 0.30    
assign (resid   36 and  name N    )(resid   47 and  name  O   ) 3.00 0.50 0.30    
assign (resid   47 and  name N    )(resid   36 and  name  O   ) 3.00 0.50 0.30    
assign (resid   38 and  name N    )(resid   45 and  name  O   ) 3.00 0.50 0.30    
assign (resid   45 and  name N    )(resid   38 and  name  O   ) 3.00 0.50 0.30    
assign (resid   62 and  name N    )(resid   75 and  name  O   ) 3.00 0.50 0.30    
assign (resid   75 and  name N    )(resid   62 and  name  O   ) 3.00 0.50 0.30    
assign (resid   64 and  name N    )(resid   73 and  name  O   ) 3.00 0.50 0.30    
assign (resid   73 and  name N    )(resid   64 and  name  O   ) 3.00 0.50 0.30    
assign (resid   66 and  name N    )(resid   71 and  name  O   ) 3.00 0.50 0.30    
assign (resid   71 and  name N    )(resid   66 and  name  O   ) 3.00 0.50 0.30    
assign (resid   90 and  name N    )(resid   52 and  name  O   ) 3.00 0.50 0.30   

set echo=true end
set wrnlev=5 end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLN   1          1HT       GLN   1  -3.621  -1.876 -15.043
    2   2H    GLN   1          2HT       GLN   1  -3.393  -0.984 -13.615
    3   3H    GLN   1          3HT       GLN   1  -4.776  -1.952 -13.803
    4    HA   GLN   1           HA       GLN   1  -3.691  -3.545 -12.727
    5   1HB   GLN   1          2HB       GLN   1  -3.380  -4.104 -15.231
    6   2HB   GLN   1          1HB       GLN   1  -1.713  -3.572 -15.009
    7   1HG   GLN   1          2HG       GLN   1  -1.663  -5.917 -14.621
    8   2HG   GLN   1          1HG       GLN   1  -1.632  -5.189 -13.015
    9   1HE2  GLN   1          1HE2      GLN   1  -4.708  -4.623 -14.142
   10   2HE2  GLN   1          2HE2      GLN   1  -5.493  -5.993 -13.519
   11    H    CYS   2           H        CYS   2  -2.619  -2.970 -10.888
   12    HA   CYS   2           HA       CYS   2  -0.914  -2.170  -9.487
   13   1HB   CYS   2          2HB       CYS   2   0.284  -4.017 -10.740
   14   2HB   CYS   2          1HB       CYS   2   0.888  -2.784 -11.846
   15    H    TYR   3           H        TYR   3   0.876  -0.449  -9.377
   16    HA   TYR   3           HA       TYR   3   0.756   1.575 -11.526
   17   1HB   TYR   3          2HB       TYR   3   0.129   3.373  -9.914
   18   2HB   TYR   3          1HB       TYR   3  -1.160   2.188 -10.135
   19    HD1  TYR   3           1HD      TYR   3  -1.269   0.222  -8.454
   20    HD2  TYR   3           2HD      TYR   3   0.966   3.825  -7.760
   21    HE1  TYR   3           1HE      TYR   3  -1.252  -0.257  -6.021
   22    HE2  TYR   3           2HE      TYR   3   0.982   3.346  -5.326
   23    HH   TYR   3           HH       TYR   3  -0.820   0.611  -3.982
   24    H    PHE   4           H        PHE   4   2.295   3.444 -10.933
   25    HA   PHE   4           HA       PHE   4   4.402   2.637  -9.005
   26   1HB   PHE   4          2HB       PHE   4   6.180   2.851 -10.641
   27   2HB   PHE   4          1HB       PHE   4   5.006   1.683 -11.250
   28    HD1  PHE   4           1HD      PHE   4   6.789   4.687 -11.968
   29    HD2  PHE   4           2HD      PHE   4   3.111   2.623 -12.781
   30    HE1  PHE   4           1HE      PHE   4   6.462   6.072 -13.999
   31    HE2  PHE   4           2HE      PHE   4   2.783   4.008 -14.811
   32    HZ   PHE   4           HZ       PHE   4   4.457   5.733 -15.421
   33    H    ILE   5           H        ILE   5   4.953   4.393  -7.839
   34    HA   ILE   5           HA       ILE   5   4.416   7.091  -9.009
   35    HB   ILE   5           HB       ILE   5   4.703   6.355  -6.088
   36   1HG1  ILE   5          2HG1      ILE   5   2.180   6.805  -7.715
   37   2HG1  ILE   5          1HG1      ILE   5   2.750   5.232  -7.157
   38   1HG2  ILE   5          1HG2      ILE   5   3.511   8.802  -7.424
   39   2HG2  ILE   5          2HG2      ILE   5   5.138   8.735  -6.745
   40   3HG2  ILE   5          3HG2      ILE   5   3.734   8.551  -5.694
   41   1HD1  ILE   5          1HD1      ILE   5   1.048   6.130  -5.621
   42   2HD1  ILE   5          2HD1      ILE   5   2.024   7.578  -5.377
   43   3HD1  ILE   5          3HD1      ILE   5   2.613   6.014  -4.816
   44    HA   PRO   6           HA       PRO   6   8.884   7.519  -9.097
   45   1HB   PRO   6          2HB       PRO   6   8.686  10.385  -8.899
   46   2HB   PRO   6          1HB       PRO   6   9.022   9.409 -10.331
   47   1HG   PRO   6          2HG       PRO   6   6.606  10.831  -9.676
   48   2HG   PRO   6          1HG       PRO   6   6.968   9.905 -11.135
   49   1HD   PRO   6          2HD       PRO   6   5.153   9.199  -9.033
   50   2HD   PRO   6          1HD       PRO   6   5.602   8.218 -10.451
   51    H    ASN   7           H        ASN   7  10.390   7.539  -7.447
   52    HA   ASN   7           HA       ASN   7   9.670   7.794  -4.741
   53   1HB   ASN   7          2HB       ASN   7  11.846   6.846  -5.871
   54   2HB   ASN   7          1HB       ASN   7  12.459   8.483  -5.639
   55   1HD2  ASN   7          1HD2      ASN   7  11.667   9.292  -3.207
   56   2HD2  ASN   7          2HD2      ASN   7  12.100   8.197  -1.983
   57    H    GLN   8           H        GLN   8   8.707   9.646  -3.992
   58    HA   GLN   8           HA       GLN   8   9.528  12.284  -4.930
   59   1HB   GLN   8          2HB       GLN   8   7.812  13.146  -3.484
   60   2HB   GLN   8          1HB       GLN   8   7.173  11.678  -4.221
   61   1HG   GLN   8          2HG       GLN   8   8.350  11.926  -1.434
   62   2HG   GLN   8          1HG       GLN   8   6.655  11.668  -1.839
   63   1HE2  GLN   8          1HE2      GLN   8   9.558  10.047  -1.083
   64   2HE2  GLN   8          2HE2      GLN   8   9.099   8.491  -1.584
   65    H    SER   9           H        SER   9  10.478  10.162  -2.370
   66    HA   SER   9           HA       SER   9  11.415  12.079  -0.472
   67   1HB   SER   9          2HB       SER   9  12.835   9.470  -0.986
   68   2HB   SER   9          1HB       SER   9  12.572  10.299   0.546
   69    HG   SER   9           HG       SER   9  10.298   9.879   0.202
   70    H    LEU  10           H        LEU  10  13.166  13.415  -0.521
   71    HA   LEU  10           HA       LEU  10  14.826  13.472  -2.940
   72   1HB   LEU  10          2HB       LEU  10  14.928  15.164  -0.423
   73   2HB   LEU  10          1HB       LEU  10  15.818  15.490  -1.910
   74    HG   LEU  10           HG       LEU  10  12.823  15.166  -1.984
   75   1HD1  LEU  10          1HD1      LEU  10  13.043  16.852  -0.315
   76   2HD1  LEU  10          2HD1      LEU  10  12.776  17.723  -1.825
   77   3HD1  LEU  10          3HD1      LEU  10  14.401  17.606  -1.149
   78   1HD2  LEU  10          1HD2      LEU  10  13.156  16.804  -3.889
   79   2HD2  LEU  10          2HD2      LEU  10  13.924  15.236  -4.132
   80   3HD2  LEU  10          3HD2      LEU  10  14.894  16.629  -3.650
   81    H    LYS  11           H        LYS  11  14.928  11.647  -0.203
   82    HA   LYS  11           HA       LYS  11  17.889  11.720   0.071
   83   1HB   LYS  11          2HB       LYS  11  15.633  10.651   1.740
   84   2HB   LYS  11          1HB       LYS  11  17.255   9.997   1.955
   85   1HG   LYS  11          2HG       LYS  11  16.912  12.978   1.899
   86   2HG   LYS  11          1HG       LYS  11  16.448  12.104   3.358
   87   1HD   LYS  11          2HD       LYS  11  18.703  11.058   3.424
   88   2HD   LYS  11          1HD       LYS  11  19.164  12.006   2.010
   89   1HE   LYS  11          2HE       LYS  11  18.505  12.987   4.787
   90   2HE   LYS  11          1HE       LYS  11  19.967  13.273   3.842
   91   1HZ   LYS  11          1HZ       LYS  11  17.329  14.528   3.620
   92   2HZ   LYS  11          2HZ       LYS  11  18.253  14.348   2.206
   93   3HZ   LYS  11          3HZ       LYS  11  18.870  15.228   3.522
   94    HA   PRO  12           HA       PRO  12  17.640   8.173  -2.783
   95   1HB   PRO  12          2HB       PRO  12  20.498   7.874  -2.548
   96   2HB   PRO  12          1HB       PRO  12  19.571   8.511  -3.908
   97   1HG   PRO  12          2HG       PRO  12  21.237   9.966  -2.101
   98   2HG   PRO  12          1HG       PRO  12  20.262  10.606  -3.426
   99   1HD   PRO  12          2HD       PRO  12  19.792  10.847  -0.576
  100   2HD   PRO  12          1HD       PRO  12  18.855  11.562  -1.914
  101    H    ASN  13           H        ASN  13  16.890   7.591  -0.197
  102    HA   ASN  13           HA       ASN  13  17.851   4.908   0.142
  103   1HB   ASN  13          2HB       ASN  13  19.744   6.349   1.125
  104   2HB   ASN  13          1HB       ASN  13  18.605   6.759   2.408
  105   1HD2  ASN  13          1HD2      ASN  13  21.142   4.829   2.067
  106   2HD2  ASN  13          2HD2      ASN  13  20.632   3.441   2.901
  107    H    GLU  14           H        GLU  14  15.327   6.179  -0.124
  108    HA   GLU  14           HA       GLU  14  14.039   5.196   2.349
  109   1HB   GLU  14          2HB       GLU  14  13.848   8.030   1.325
  110   2HB   GLU  14          1HB       GLU  14  12.575   7.318   2.318
  111   1HG   GLU  14          2HG       GLU  14  14.273   6.773   4.049
  112   2HG   GLU  14          1HG       GLU  14  15.495   7.587   3.073
  113    H    CYS  15           H        CYS  15  11.543   5.470   2.008
  114    HA   CYS  15           HA       CYS  15  10.683   5.295  -0.801
  115   1HB   CYS  15          2HB       CYS  15  10.770   2.910   1.045
  116   2HB   CYS  15          1HB       CYS  15   9.562   3.012  -0.236
  117    H    GLN  16           H        GLN  16   8.930   6.623  -0.702
  118    HA   GLN  16           HA       GLN  16   6.937   6.145   1.472
  119   1HB   GLN  16          2HB       GLN  16   8.098   8.095   2.223
  120   2HB   GLN  16          1HB       GLN  16   8.128   8.786   0.602
  121   1HG   GLN  16          2HG       GLN  16   5.797   9.245   0.635
  122   2HG   GLN  16          1HG       GLN  16   5.531   8.198   2.029
  123   1HE2  GLN  16          1HE2      GLN  16   4.933   9.601   3.708
  124   2HE2  GLN  16          2HE2      GLN  16   5.792  10.998   4.145
  125    H    ASP  17           H        ASP  17   4.767   6.615   0.870
  126    HA   ASP  17           HA       ASP  17   4.177   7.629  -1.815
  127   1HB   ASP  17          2HB       ASP  17   3.654   4.729  -1.091
  128   2HB   ASP  17          1HB       ASP  17   2.928   5.549  -2.473
  129    H    LEU  18           H        LEU  18   1.927   8.172  -2.002
  130    HA   LEU  18           HA       LEU  18  -0.089   8.962  -1.080
  131   1HB   LEU  18          2HB       LEU  18   0.036   6.433   0.583
  132   2HB   LEU  18          1HB       LEU  18  -1.404   7.311   0.066
  133    HG   LEU  18           HG       LEU  18   0.556   5.942  -1.800
  134   1HD1  LEU  18          1HD1      LEU  18  -1.373   4.372  -2.167
  135   2HD1  LEU  18          2HD1      LEU  18  -2.197   5.144  -0.812
  136   3HD1  LEU  18          3HD1      LEU  18  -0.684   4.278  -0.547
  137   1HD2  LEU  18          1HD2      LEU  18  -1.461   6.326  -3.386
  138   2HD2  LEU  18          2HD2      LEU  18  -0.450   7.719  -3.004
  139   3HD2  LEU  18          3HD2      LEU  18  -2.000   7.506  -2.191
  140    H    LYS  19           H        LYS  19  -0.889   8.165   1.733
  141    HA   LYS  19           HA       LYS  19   0.973  10.021   3.172
  142   1HB   LYS  19          2HB       LYS  19  -1.649  10.485   2.706
  143   2HB   LYS  19          1HB       LYS  19  -1.789   9.571   4.205
  144   1HG   LYS  19          2HG       LYS  19  -1.545  11.736   5.026
  145   2HG   LYS  19          1HG       LYS  19   0.132  11.191   5.021
  146   1HD   LYS  19          2HD       LYS  19   0.288  12.175   2.659
  147   2HD   LYS  19          1HD       LYS  19  -1.253  12.960   2.998
  148   1HE   LYS  19          2HE       LYS  19  -0.237  13.989   5.034
  149   2HE   LYS  19          1HE       LYS  19   1.314  13.283   4.577
  150   1HZ   LYS  19          1HZ       LYS  19   0.860  15.657   3.854
  151   2HZ   LYS  19          2HZ       LYS  19  -0.221  14.998   2.722
  152   3HZ   LYS  19          3HZ       LYS  19   1.427  14.588   2.665
  153    H    GLY  20           H        GLY  20  -0.042   6.819   2.973
  154   1HA   GLY  20          2HA       GLY  20   0.380   6.324   5.884
  155   2HA   GLY  20          1HA       GLY  20  -0.345   5.186   4.754
  156    H    VAL  21           H        VAL  21   1.715   5.509   2.701
  157    HA   VAL  21           HA       VAL  21   3.624   3.601   3.774
  158    HB   VAL  21           HB       VAL  21   3.862   5.109   1.169
  159   1HG1  VAL  21          1HG1      VAL  21   4.618   2.250   1.770
  160   2HG1  VAL  21          2HG1      VAL  21   5.721   3.580   2.123
  161   3HG1  VAL  21          3HG1      VAL  21   5.195   3.287   0.465
  162   1HG2  VAL  21          1HG2      VAL  21   2.606   3.076   0.248
  163   2HG2  VAL  21          2HG2      VAL  21   1.634   4.243   1.146
  164   3HG2  VAL  21          3HG2      VAL  21   2.138   2.737   1.913
  165    H    SER  22           H        SER  22   5.816   3.951   4.262
  166    HA   SER  22           HA       SER  22   7.394   6.187   3.727
  167   1HB   SER  22          2HB       SER  22   6.152   7.799   4.808
  168   2HB   SER  22          1HB       SER  22   5.423   6.639   5.915
  169    HG   SER  22           HG       SER  22   6.988   6.990   7.273
  170    H    HIS  23           H        HIS  23   8.979   4.532   3.837
  171    HA   HIS  23           HA       HIS  23   9.951   3.998   6.569
  172   1HB   HIS  23          2HB       HIS  23  10.265   1.490   5.401
  173   2HB   HIS  23          1HB       HIS  23   9.053   1.910   6.610
  174    HD1  HIS  23           1HD      HIS  23   6.663   1.707   5.900
  175    HD2  HIS  23           2HD      HIS  23   9.234   1.914   2.625
  176    HE1  HIS  23           1HE      HIS  23   5.233   1.341   3.842
  177    HA   PRO  24           HA       PRO  24  13.903   4.563   4.694
  178   1HB   PRO  24          2HB       PRO  24  15.153   2.266   5.896
  179   2HB   PRO  24          1HB       PRO  24  15.263   3.955   6.394
  180   1HG   PRO  24          2HG       PRO  24  13.825   1.808   7.672
  181   2HG   PRO  24          1HG       PRO  24  14.009   3.478   8.214
  182   1HD   PRO  24          2HD       PRO  24  11.636   2.247   7.193
  183   2HD   PRO  24          1HD       PRO  24  11.870   3.964   7.604
  184    H    LEU  25           H        LEU  25  15.333   3.680   3.057
  185    HA   LEU  25           HA       LEU  25  14.084   1.765   1.299
  186   1HB   LEU  25          2HB       LEU  25  15.448   3.578   0.395
  187   2HB   LEU  25          1HB       LEU  25  16.854   3.001   1.286
  188    HG   LEU  25           HG       LEU  25  16.769   0.873  -0.005
  189   1HD1  LEU  25          1HD1      LEU  25  14.401   2.269  -1.249
  190   2HD1  LEU  25          2HD1      LEU  25  14.507   0.618  -0.636
  191   3HD1  LEU  25          3HD1      LEU  25  15.307   1.050  -2.146
  192   1HD2  LEU  25          1HD2      LEU  25  17.437   1.890  -2.205
  193   2HD2  LEU  25          2HD2      LEU  25  18.218   2.644  -0.815
  194   3HD2  LEU  25          3HD2      LEU  25  16.860   3.446  -1.607
  195    H    ASN  26           H        ASN  26  14.976  -0.352   0.730
  196    HA   ASN  26           HA       ASN  26  17.096  -1.468   2.396
  197   1HB   ASN  26          2HB       ASN  26  14.295  -2.611   2.581
  198   2HB   ASN  26          1HB       ASN  26  15.732  -3.227   3.398
  199   1HD2  ASN  26          1HD2      ASN  26  16.417  -2.165   5.330
  200   2HD2  ASN  26          2HD2      ASN  26  15.576  -0.859   6.017
  201    H    SER  27           H        SER  27  14.329  -2.546   0.385
  202    HA   SER  27           HA       SER  27  15.945  -3.393  -1.811
  203   1HB   SER  27          2HB       SER  27  15.651  -5.903  -1.408
  204   2HB   SER  27          1HB       SER  27  16.870  -5.104  -0.423
  205    HG   SER  27           HG       SER  27  15.664  -5.382   1.301
  206    H    VAL  28           H        VAL  28  14.425  -5.642  -2.629
  207    HA   VAL  28           HA       VAL  28  11.741  -4.380  -2.967
  208    HB   VAL  28           HB       VAL  28  11.697  -5.995  -4.978
  209   1HG1  VAL  28          1HG1      VAL  28  12.724  -4.370  -6.375
  210   2HG1  VAL  28          2HG1      VAL  28  13.869  -3.903  -5.120
  211   3HG1  VAL  28          3HG1      VAL  28  12.171  -3.460  -4.971
  212   1HG2  VAL  28          1HG2      VAL  28  14.676  -5.978  -4.421
  213   2HG2  VAL  28          2HG2      VAL  28  13.874  -6.735  -5.797
  214   3HG2  VAL  28          3HG2      VAL  28  13.621  -7.368  -4.172
  215    H    TRP  29           H        TRP  29  10.041  -5.435  -2.058
  216    HA   TRP  29           HA       TRP  29  10.408  -8.315  -1.307
  217   1HB   TRP  29          2HB       TRP  29   8.758  -7.758   0.562
  218   2HB   TRP  29          1HB       TRP  29  10.372  -7.066   0.731
  219    HD1  TRP  29           HD       TRP  29   6.763  -6.130  -0.030
  220    HE1  TRP  29           1HE      TRP  29   6.515  -3.567   0.101
  221    HE3  TRP  29           3HE      TRP  29  11.666  -4.794   0.475
  222    HZ2  TRP  29           2HZ      TRP  29   8.177  -1.257   0.384
  223    HZ3  TRP  29           3HZ      TRP  29  12.305  -2.408   0.673
  224    HH2  TRP  29           HH       TRP  29  10.569  -0.639   0.628
  225    H    LYS  30           H        LYS  30   8.552  -9.655  -1.537
  226    HA   LYS  30           HA       LYS  30   6.138  -8.464  -2.784
  227   1HB   LYS  30          2HB       LYS  30   7.520 -10.833  -4.062
  228   2HB   LYS  30          1HB       LYS  30   6.196  -9.866  -4.713
  229   1HG   LYS  30          2HG       LYS  30   7.742  -7.883  -4.737
  230   2HG   LYS  30          1HG       LYS  30   9.056  -8.965  -4.274
  231   1HD   LYS  30          2HD       LYS  30   8.423 -10.373  -6.314
  232   2HD   LYS  30          1HD       LYS  30   7.429  -9.007  -6.821
  233   1HE   LYS  30          2HE       LYS  30   9.430  -7.538  -6.711
  234   2HE   LYS  30          1HE       LYS  30  10.412  -8.938  -6.280
  235   1HZ   LYS  30          1HZ       LYS  30   9.104  -8.300  -8.832
  236   2HZ   LYS  30          2HZ       LYS  30   9.359  -9.928  -8.418
  237   3HZ   LYS  30          3HZ       LYS  30  10.677  -8.863  -8.541
  238    H    THR  31           H        THR  31   4.596  -9.206  -1.399
  239    HA   THR  31           HA       THR  31   4.786 -11.429   0.314
  240    HB   THR  31           HB       THR  31   2.405 -11.254   0.608
  241    HG1  THR  31           1HG      THR  31   2.165  -9.581  -1.621
  242   1HG2  THR  31          1HG2      THR  31   3.513  -8.539  -0.159
  243   2HG2  THR  31          2HG2      THR  31   3.717  -9.323   1.408
  244   3HG2  THR  31          3HG2      THR  31   2.112  -8.823   0.873
  245    H    LYS  32           H        LYS  32   3.608 -13.530   0.144
  246    HA   LYS  32           HA       LYS  32   4.199 -14.814  -2.398
  247   1HB   LYS  32          2HB       LYS  32   4.472 -16.014  -0.262
  248   2HB   LYS  32          1HB       LYS  32   2.742 -15.866   0.046
  249   1HG   LYS  32          2HG       LYS  32   2.181 -17.307  -1.747
  250   2HG   LYS  32          1HG       LYS  32   3.782 -17.165  -2.473
  251   1HD   LYS  32          2HD       LYS  32   3.504 -19.341  -1.325
  252   2HD   LYS  32          1HD       LYS  32   4.767 -18.370  -0.568
  253   1HE   LYS  32          2HE       LYS  32   3.354 -17.762   1.250
  254   2HE   LYS  32          1HE       LYS  32   1.909 -18.327   0.413
  255   1HZ   LYS  32          1HZ       LYS  32   2.740 -20.581   0.550
  256   2HZ   LYS  32          2HZ       LYS  32   2.648 -19.898   2.102
  257   3HZ   LYS  32          3HZ       LYS  32   4.151 -20.048   1.324
  258    H    ASP  33           H        ASP  33   1.348 -13.499  -0.841
  259    HA   ASP  33           HA       ASP  33  -0.138 -13.509  -3.310
  260   1HB   ASP  33          2HB       ASP  33  -0.261 -15.948  -2.636
  261   2HB   ASP  33          1HB       ASP  33  -1.152 -15.435  -1.203
  262    H    CYS  34           H        CYS  34   0.289 -11.366  -1.804
  263    HA   CYS  34           HA       CYS  34  -2.387 -10.763  -0.711
  264   1HB   CYS  34          2HB       CYS  34   0.157 -10.617   0.917
  265   2HB   CYS  34          1HB       CYS  34  -1.282  -9.685   1.331
  266    H    GLU  35           H        GLU  35   0.912  -9.441  -1.055
  267    HA   GLU  35           HA       GLU  35  -0.180  -7.202  -2.638
  268   1HB   GLU  35          2HB       GLU  35  -0.427  -6.314  -0.398
  269   2HB   GLU  35          1HB       GLU  35   1.209  -6.810   0.028
  270   1HG   GLU  35          2HG       GLU  35   2.195  -5.189  -1.395
  271   2HG   GLU  35          1HG       GLU  35   0.683  -4.912  -2.261
  272    H    GLU  36           H        GLU  36   1.658  -5.806  -3.456
  273    HA   GLU  36           HA       GLU  36   4.297  -7.175  -3.452
  274   1HB   GLU  36          2HB       GLU  36   2.720  -6.434  -5.937
  275   2HB   GLU  36          1HB       GLU  36   4.416  -6.917  -5.941
  276   1HG   GLU  36          2HG       GLU  36   3.694  -9.049  -4.759
  277   2HG   GLU  36          1HG       GLU  36   2.029  -8.579  -5.107
  278    H    CYS  37           H        CYS  37   5.922  -5.673  -3.300
  279    HA   CYS  37           HA       CYS  37   5.477  -2.941  -4.324
  280   1HB   CYS  37          2HB       CYS  37   5.576  -3.676  -1.445
  281   2HB   CYS  37          1HB       CYS  37   6.507  -2.255  -1.920
  282    H    THR  38           H        THR  38   7.350  -2.056  -5.073
  283    HA   THR  38           HA       THR  38   9.935  -3.325  -4.273
  284    HB   THR  38           HB       THR  38  10.659  -3.157  -6.643
  285    HG1  THR  38           1HG      THR  38   9.043  -1.481  -7.086
  286   1HG2  THR  38          1HG2      THR  38   9.409  -5.059  -7.459
  287   2HG2  THR  38          2HG2      THR  38   8.066  -4.694  -6.378
  288   3HG2  THR  38          3HG2      THR  38   9.605  -5.242  -5.717
  289    H    CYS  39           H        CYS  39  11.702  -1.866  -4.230
  290    HA   CYS  39           HA       CYS  39  10.927   1.019  -4.443
  291   1HB   CYS  39          2HB       CYS  39  12.765  -0.498  -2.624
  292   2HB   CYS  39          1HB       CYS  39  13.150   1.183  -2.996
  293    H    GLY  40           H        GLY  40  11.429   1.271  -6.665
  294   1HA   GLY  40          2HA       GLY  40  14.011   0.420  -7.726
  295   2HA   GLY  40          1HA       GLY  40  12.821   1.413  -8.571
  296    H    GLN  41           H        GLN  41  15.870   1.629  -7.815
  297    HA   GLN  41           HA       GLN  41  16.253   3.878  -6.157
  298   1HB   GLN  41          2HB       GLN  41  17.806   3.013  -8.614
  299   2HB   GLN  41          1HB       GLN  41  18.364   4.225  -7.459
  300   1HG   GLN  41          2HG       GLN  41  18.397   2.606  -5.669
  301   2HG   GLN  41          1HG       GLN  41  17.612   1.395  -6.682
  302   1HE2  GLN  41          1HE2      GLN  41  20.347   1.322  -5.373
  303   2HE2  GLN  41          2HE2      GLN  41  21.434   1.041  -6.646
  304    H    ASP  42           H        ASP  42  14.513   3.732  -9.023
  305    HA   ASP  42           HA       ASP  42  14.852   6.680  -9.458
  306   1HB   ASP  42          2HB       ASP  42  15.625   5.160 -11.348
  307   2HB   ASP  42          1HB       ASP  42  13.939   4.675 -11.534
  308    H    ALA  43           H        ALA  43  12.667   4.026  -8.908
  309    HA   ALA  43           HA       ALA  43  10.502   5.911  -8.343
  310   1HB   ALA  43          1HB       ALA  43  10.222   5.706 -10.762
  311   2HB   ALA  43          2HB       ALA  43   8.906   4.862  -9.947
  312   3HB   ALA  43          3HB       ALA  43  10.245   3.947 -10.640
  313    H    ILE  44           H        ILE  44   8.400   4.433  -7.927
  314    HA   ILE  44           HA       ILE  44   9.287   1.944  -6.517
  315    HB   ILE  44           HB       ILE  44   7.179   3.856  -5.481
  316   1HG1  ILE  44          2HG1      ILE  44  10.122   3.634  -4.774
  317   2HG1  ILE  44          1HG1      ILE  44   9.306   5.039  -5.461
  318   1HG2  ILE  44          1HG2      ILE  44   8.756   1.748  -3.996
  319   2HG2  ILE  44          2HG2      ILE  44   7.239   1.375  -4.815
  320   3HG2  ILE  44          3HG2      ILE  44   7.265   2.547  -3.496
  321   1HD1  ILE  44          1HD1      ILE  44   7.800   4.987  -3.387
  322   2HD1  ILE  44          2HD1      ILE  44   9.469   5.494  -3.128
  323   3HD1  ILE  44          3HD1      ILE  44   8.967   3.858  -2.699
  324    H    SER  45           H        SER  45   8.145   0.209  -7.232
  325    HA   SER  45           HA       SER  45   5.526   0.713  -8.591
  326   1HB   SER  45          2HB       SER  45   6.793  -0.355 -10.207
  327   2HB   SER  45          1HB       SER  45   7.742  -1.248  -9.022
  328    HG   SER  45           HG       SER  45   6.414  -2.816  -9.447
  329    H    CYS  46           H        CYS  46   3.750   0.037  -7.508
  330    HA   CYS  46           HA       CYS  46   4.013  -2.297  -5.659
  331   1HB   CYS  46          2HB       CYS  46   2.860   0.425  -5.087
  332   2HB   CYS  46          1HB       CYS  46   2.261  -0.993  -4.228
  333    H    CYS  47           H        CYS  47   2.319  -3.719  -5.746
  334    HA   CYS  47           HA       CYS  47  -0.045  -2.947  -7.419
  335   1HB   CYS  47          2HB       CYS  47   1.042  -5.754  -7.403
  336   2HB   CYS  47          1HB       CYS  47   0.042  -4.958  -8.618
  337    H    ASN  48           H        ASN  48  -1.944  -4.430  -6.982
  338    HA   ASN  48           HA       ASN  48  -1.891  -5.662  -4.271
  339   1HB   ASN  48          2HB       ASN  48  -3.959  -4.491  -3.633
  340   2HB   ASN  48          1HB       ASN  48  -2.676  -3.329  -3.973
  341   1HD2  ASN  48          1HD2      ASN  48  -2.662  -2.611  -6.437
  342   2HD2  ASN  48          2HD2      ASN  48  -4.186  -2.294  -7.114
  343    H    THR  49           H        THR  49  -2.997  -7.568  -4.278
  344    HA   THR  49           HA       THR  49  -4.762  -8.141  -6.627
  345    HB   THR  49           HB       THR  49  -3.369 -10.155  -4.848
  346    HG1  THR  49           1HG      THR  49  -1.632  -9.689  -5.894
  347   1HG2  THR  49          1HG2      THR  49  -5.354 -10.863  -6.216
  348   2HG2  THR  49          2HG2      THR  49  -3.858 -11.696  -6.640
  349   3HG2  THR  49          3HG2      THR  49  -4.460 -10.389  -7.661
  350    H    ALA  50           H        ALA  50  -4.564  -7.999  -3.153
  351    HA   ALA  50           HA       ALA  50  -6.727  -9.676  -2.428
  352   1HB   ALA  50          1HB       ALA  50  -5.184  -8.563  -0.812
  353   2HB   ALA  50          2HB       ALA  50  -6.882  -8.332  -0.395
  354   3HB   ALA  50          3HB       ALA  50  -5.976  -7.026  -1.159
  355    H    ALA  51           H        ALA  51  -8.922  -8.851  -1.661
  356    HA   ALA  51           HA       ALA  51 -10.420  -7.789  -3.793
  357   1HB   ALA  51          1HB       ALA  51 -11.561  -8.927  -2.005
  358   2HB   ALA  51          2HB       ALA  51 -12.153  -7.266  -2.013
  359   3HB   ALA  51          3HB       ALA  51 -10.964  -7.773  -0.813
  360    H    ILE  52           H        ILE  52 -11.584  -5.648  -3.825
  361    HA   ILE  52           HA       ILE  52  -9.760  -3.474  -2.887
  362    HB   ILE  52           HB       ILE  52 -11.770  -3.105  -5.090
  363   1HG1  ILE  52          2HG1      ILE  52 -10.526  -5.203  -5.619
  364   2HG1  ILE  52          1HG1      ILE  52 -10.156  -3.900  -6.744
  365   1HG2  ILE  52          1HG2      ILE  52  -9.057  -1.942  -4.417
  366   2HG2  ILE  52          2HG2      ILE  52 -10.618  -1.119  -4.401
  367   3HG2  ILE  52          3HG2      ILE  52  -9.900  -1.617  -5.931
  368   1HD1  ILE  52          1HD1      ILE  52  -8.123  -5.143  -5.963
  369   2HD1  ILE  52          2HD1      ILE  52  -8.456  -4.580  -4.327
  370   3HD1  ILE  52          3HD1      ILE  52  -8.071  -3.419  -5.596
  371    HA   PRO  53           HA       PRO  53 -13.134  -2.292  -0.193
  372   1HB   PRO  53          2HB       PRO  53 -12.341   0.475  -0.259
  373   2HB   PRO  53          1HB       PRO  53 -12.076  -0.711   1.022
  374   1HG   PRO  53          2HG       PRO  53 -10.146   0.382  -0.813
  375   2HG   PRO  53          1HG       PRO  53  -9.876  -0.761   0.506
  376   1HD   PRO  53          2HD       PRO  53  -9.779  -1.300  -2.305
  377   2HD   PRO  53          1HD       PRO  53  -9.621  -2.470  -0.974
  378    H    THR  54           H        THR  54 -15.200  -2.032  -0.909
  379    HA   THR  54           HA       THR  54 -15.699  -0.134  -3.171
  380    HB   THR  54           HB       THR  54 -17.628  -1.483  -3.722
  381    HG1  THR  54           1HG      THR  54 -17.050  -2.612  -1.222
  382   1HG2  THR  54          1HG2      THR  54 -15.237  -2.263  -4.312
  383   2HG2  THR  54          2HG2      THR  54 -16.539  -3.442  -4.463
  384   3HG2  THR  54          3HG2      THR  54 -15.472  -3.482  -3.059
  385    H    GLY  55           H        GLY  55 -18.296   0.417  -2.984
  386   1HA   GLY  55          2HA       GLY  55 -19.835   1.772  -1.842
  387   2HA   GLY  55          1HA       GLY  55 -19.439   0.805  -0.419
  388    H    TYR  56           H        TYR  56 -16.598   2.094  -1.569
  389    HA   TYR  56           HA       TYR  56 -16.531   4.069   0.609
  390   1HB   TYR  56          2HB       TYR  56 -14.472   3.021   0.531
  391   2HB   TYR  56          1HB       TYR  56 -14.542   2.785  -1.214
  392    HD1  TYR  56           1HD      TYR  56 -14.798   5.816   0.995
  393    HD2  TYR  56           2HD      TYR  56 -12.767   3.882  -2.261
  394    HE1  TYR  56           1HE      TYR  56 -13.403   7.839   0.663
  395    HE2  TYR  56           2HE      TYR  56 -11.372   5.905  -2.592
  396    HH   TYR  56           HH       TYR  56 -12.072   8.804  -1.577
  397    H    ASP  57           H        ASP  57 -17.539   5.982   0.140
  398    HA   ASP  57           HA       ASP  57 -17.919   7.056  -2.470
  399   1HB   ASP  57          2HB       ASP  57 -17.705   8.664   0.089
  400   2HB   ASP  57          1HB       ASP  57 -18.610   9.081  -1.365
  401    H    THR  58           H        THR  58 -16.281   7.632  -3.816
  402    HA   THR  58           HA       THR  58 -13.615   8.225  -2.917
  403    HB   THR  58           HB       THR  58 -13.123   8.686  -5.218
  404    HG1  THR  58           1HG      THR  58 -15.813   9.380  -5.237
  405   1HG2  THR  58          1HG2      THR  58 -15.403   6.692  -5.186
  406   2HG2  THR  58          2HG2      THR  58 -13.761   6.332  -4.650
  407   3HG2  THR  58          3HG2      THR  58 -14.068   6.749  -6.337
  408    H    ASN  59           H        ASN  59 -14.205   9.907  -1.285
  409    HA   ASN  59           HA       ASN  59 -14.931  12.546  -2.449
  410   1HB   ASN  59          2HB       ASN  59 -14.767  11.478   0.373
  411   2HB   ASN  59          1HB       ASN  59 -14.909  13.205   0.043
  412   1HD2  ASN  59          1HD2      ASN  59 -16.539  10.080  -0.703
  413   2HD2  ASN  59          2HD2      ASN  59 -18.091  10.754  -0.837
  414    H    LYS  60           H        LYS  60 -12.507  11.310  -0.106
  415    HA   LYS  60           HA       LYS  60 -10.305  12.544  -1.500
  416   1HB   LYS  60          2HB       LYS  60 -11.542  14.538  -0.468
  417   2HB   LYS  60          1HB       LYS  60 -11.046  13.898   1.100
  418   1HG   LYS  60          2HG       LYS  60  -8.712  14.095   0.526
  419   2HG   LYS  60          1HG       LYS  60  -9.102  14.489  -1.148
  420   1HD   LYS  60          2HD       LYS  60  -8.534  16.532   0.088
  421   2HD   LYS  60          1HD       LYS  60 -10.233  16.559  -0.386
  422   1HE   LYS  60          2HE       LYS  60  -9.460  15.438   2.296
  423   2HE   LYS  60          1HE       LYS  60  -9.575  17.185   2.079
  424   1HZ   LYS  60          1HZ       LYS  60 -11.789  17.101   1.911
  425   2HZ   LYS  60          2HZ       LYS  60 -11.647  15.584   2.664
  426   3HZ   LYS  60          3HZ       LYS  60 -11.781  15.688   0.973
  427    H    CYS  61           H        CYS  61 -10.460  10.007  -0.690
  428    HA   CYS  61           HA       CYS  61  -8.708   9.891   1.743
  429   1HB   CYS  61          2HB       CYS  61 -10.584   7.678   0.895
  430   2HB   CYS  61          1HB       CYS  61  -9.755   7.874   2.435
  431    H    GLN  62           H        GLN  62  -7.598   7.586   1.712
  432    HA   GLN  62           HA       GLN  62  -6.703   6.974  -1.078
  433   1HB   GLN  62          2HB       GLN  62  -4.981   7.377   1.386
  434   2HB   GLN  62          1HB       GLN  62  -4.391   6.667  -0.117
  435   1HG   GLN  62          2HG       GLN  62  -4.604   8.670  -1.306
  436   2HG   GLN  62          1HG       GLN  62  -5.798   9.325  -0.185
  437   1HE2  GLN  62          1HE2      GLN  62  -4.892   9.733   2.130
  438   2HE2  GLN  62          2HE2      GLN  62  -3.307  10.328   2.233
  439    H    LYS  63           H        LYS  63  -6.036   4.765  -1.374
  440    HA   LYS  63           HA       LYS  63  -7.020   2.937   0.785
  441   1HB   LYS  63          2HB       LYS  63  -6.594   2.169  -2.106
  442   2HB   LYS  63          1HB       LYS  63  -7.592   1.367  -0.895
  443   1HG   LYS  63          2HG       LYS  63  -9.293   2.512  -1.920
  444   2HG   LYS  63          1HG       LYS  63  -8.745   3.832  -0.890
  445   1HD   LYS  63          2HD       LYS  63  -8.907   4.696  -3.134
  446   2HD   LYS  63          1HD       LYS  63  -7.193   4.536  -2.755
  447   1HE   LYS  63          2HE       LYS  63  -6.879   2.847  -4.279
  448   2HE   LYS  63          1HE       LYS  63  -8.478   2.156  -4.003
  449   1HZ   LYS  63          1HZ       LYS  63  -7.815   3.542  -6.177
  450   2HZ   LYS  63          2HZ       LYS  63  -8.442   4.791  -5.211
  451   3HZ   LYS  63          3HZ       LYS  63  -9.399   3.436  -5.579
  452    H    ILE  64           H        ILE  64  -5.600   1.482   1.652
  453    HA   ILE  64           HA       ILE  64  -2.976   1.064   0.297
  454    HB   ILE  64           HB       ILE  64  -3.486   2.120   3.068
  455   1HG1  ILE  64          2HG1      ILE  64  -1.287   2.700   1.065
  456   2HG1  ILE  64          1HG1      ILE  64  -2.819   3.571   1.100
  457   1HG2  ILE  64          1HG2      ILE  64  -1.217   0.334   2.182
  458   2HG2  ILE  64          2HG2      ILE  64  -2.206   0.209   3.638
  459   3HG2  ILE  64          3HG2      ILE  64  -1.012   1.498   3.491
  460   1HD1  ILE  64          1HD1      ILE  64  -0.849   4.622   2.388
  461   2HD1  ILE  64          2HD1      ILE  64  -1.086   3.327   3.561
  462   3HD1  ILE  64          3HD1      ILE  64  -2.383   4.480   3.246
  463    H    LEU  65           H        LEU  65  -2.342  -1.059   0.367
  464    HA   LEU  65           HA       LEU  65  -4.129  -2.949   1.777
  465   1HB   LEU  65          2HB       LEU  65  -3.327  -3.200  -0.667
  466   2HB   LEU  65          1HB       LEU  65  -1.784  -3.691   0.028
  467    HG   LEU  65           HG       LEU  65  -4.424  -4.981   0.767
  468   1HD1  LEU  65          1HD1      LEU  65  -4.166  -5.507  -1.526
  469   2HD1  LEU  65          2HD1      LEU  65  -3.467  -6.887  -0.680
  470   3HD1  LEU  65          3HD1      LEU  65  -2.416  -5.657  -1.382
  471   1HD2  LEU  65          1HD2      LEU  65  -1.531  -5.442   1.429
  472   2HD2  LEU  65          2HD2      LEU  65  -2.600  -6.840   1.316
  473   3HD2  LEU  65          3HD2      LEU  65  -2.949  -5.554   2.470
  474    H    ASN  66           H        ASN  66  -3.592  -3.563   3.798
  475    HA   ASN  66           HA       ASN  66  -0.900  -3.122   4.849
  476   1HB   ASN  66          2HB       ASN  66  -3.046  -2.851   6.177
  477   2HB   ASN  66          1HB       ASN  66  -3.195  -4.609   6.156
  478   1HD2  ASN  66          1HD2      ASN  66  -0.541  -2.234   6.822
  479   2HD2  ASN  66          2HD2      ASN  66   0.004  -3.026   8.220
  480    H    LYS  67           H        LYS  67   0.617  -4.534   4.034
  481    HA   LYS  67           HA       LYS  67   0.010  -7.296   3.399
  482   1HB   LYS  67          2HB       LYS  67   2.482  -7.499   3.094
  483   2HB   LYS  67          1HB       LYS  67   1.793  -6.143   2.204
  484   1HG   LYS  67          2HG       LYS  67   3.377  -4.869   3.217
  485   2HG   LYS  67          1HG       LYS  67   2.394  -5.013   4.672
  486   1HD   LYS  67          2HD       LYS  67   3.650  -7.154   5.189
  487   2HD   LYS  67          1HD       LYS  67   4.737  -6.750   3.861
  488   1HE   LYS  67          2HE       LYS  67   5.008  -4.461   5.047
  489   2HE   LYS  67          1HE       LYS  67   4.313  -5.268   6.452
  490   1HZ   LYS  67          1HZ       LYS  67   6.336  -6.033   6.868
  491   2HZ   LYS  67          2HZ       LYS  67   6.939  -5.460   5.388
  492   3HZ   LYS  67          3HZ       LYS  67   6.216  -6.996   5.477
  493    H    LYS  68           H        LYS  68   0.459  -5.734   6.330
  494    HA   LYS  68           HA       LYS  68   2.066  -7.563   7.792
  495   1HB   LYS  68          2HB       LYS  68   0.867  -5.238   8.428
  496   2HB   LYS  68          1HB       LYS  68  -0.296  -6.347   9.156
  497   1HG   LYS  68          2HG       LYS  68   1.561  -7.459  10.377
  498   2HG   LYS  68          1HG       LYS  68   2.687  -6.284   9.697
  499   1HD   LYS  68          2HD       LYS  68   0.285  -5.595  11.418
  500   2HD   LYS  68          1HD       LYS  68   1.954  -5.644  11.985
  501   1HE   LYS  68          2HE       LYS  68   2.362  -3.993   9.954
  502   2HE   LYS  68          1HE       LYS  68   0.636  -3.679  10.140
  503   1HZ   LYS  68          1HZ       LYS  68   2.672  -2.583  11.616
  504   2HZ   LYS  68          2HZ       LYS  68   1.961  -3.723  12.656
  505   3HZ   LYS  68          3HZ       LYS  68   1.014  -2.497  11.960
  506    H    THR  69           H        THR  69  -1.481  -7.472   7.362
  507    HA   THR  69           HA       THR  69  -1.524 -10.407   7.958
  508    HB   THR  69           HB       THR  69  -3.834  -9.926   8.970
  509    HG1  THR  69           1HG      THR  69  -2.815  -7.374   8.515
  510   1HG2  THR  69          1HG2      THR  69  -1.348  -8.841  10.324
  511   2HG2  THR  69          2HG2      THR  69  -1.897 -10.517  10.346
  512   3HG2  THR  69          3HG2      THR  69  -2.847  -9.267  11.150
  513    H    CYS  70           H        CYS  70  -1.526  -8.784   5.417
  514    HA   CYS  70           HA       CYS  70  -2.680  -8.752   3.371
  515   1HB   CYS  70          2HB       CYS  70  -3.932 -11.262   4.530
  516   2HB   CYS  70          1HB       CYS  70  -3.893 -10.812   2.825
  517    H    THR  71           H        THR  71  -3.831  -6.811   4.344
  518    HA   THR  71           HA       THR  71  -6.755  -7.310   4.260
  519    HB   THR  71           HB       THR  71  -7.231  -6.415   6.345
  520    HG1  THR  71           1HG      THR  71  -6.330  -4.612   6.864
  521   1HG2  THR  71          1HG2      THR  71  -5.822  -8.459   6.631
  522   2HG2  THR  71          2HG2      THR  71  -5.696  -7.344   7.991
  523   3HG2  THR  71          3HG2      THR  71  -4.406  -7.421   6.792
  524    H    TYR  72           H        TYR  72  -7.948  -5.187   4.023
  525    HA   TYR  72           HA       TYR  72  -6.263  -3.267   2.467
  526   1HB   TYR  72          2HB       TYR  72  -8.691  -4.603   1.837
  527   2HB   TYR  72          1HB       TYR  72  -9.091  -2.899   2.038
  528    HD1  TYR  72           1HD      TYR  72  -7.715  -5.352  -0.164
  529    HD2  TYR  72           2HD      TYR  72  -7.541  -1.178   0.838
  530    HE1  TYR  72           1HE      TYR  72  -6.745  -4.858  -2.392
  531    HE2  TYR  72           2HE      TYR  72  -6.570  -0.685  -1.391
  532    HH   TYR  72           HH       TYR  72  -5.107  -2.356  -3.170
  533    H    THR  73           H        THR  73  -5.955  -1.322   3.386
  534    HA   THR  73           HA       THR  73  -7.904  -0.401   5.466
  535    HB   THR  73           HB       THR  73  -6.079   0.736   6.555
  536    HG1  THR  73           1HG      THR  73  -4.142  -0.241   4.853
  537   1HG2  THR  73          1HG2      THR  73  -6.281  -1.663   7.044
  538   2HG2  THR  73          2HG2      THR  73  -4.590  -1.167   7.084
  539   3HG2  THR  73          3HG2      THR  73  -5.220  -2.037   5.686
  540    H    VAL  74           H        VAL  74  -7.878   2.081   5.643
  541    HA   VAL  74           HA       VAL  74  -7.320   3.467   3.085
  542    HB   VAL  74           HB       VAL  74 -10.070   3.651   4.330
  543   1HG1  VAL  74          1HG1      VAL  74  -9.068   5.419   2.732
  544   2HG1  VAL  74          2HG1      VAL  74 -10.660   4.776   2.334
  545   3HG1  VAL  74          3HG1      VAL  74  -9.233   4.189   1.480
  546   1HG2  VAL  74          1HG2      VAL  74  -9.124   1.835   2.089
  547   2HG2  VAL  74          2HG2      VAL  74 -10.816   2.148   2.469
  548   3HG2  VAL  74          3HG2      VAL  74  -9.789   1.327   3.642
  549    H    VAL  75           H        VAL  75  -6.217   5.245   3.738
  550    HA   VAL  75           HA       VAL  75  -6.951   6.501   6.356
  551    HB   VAL  75           HB       VAL  75  -4.609   7.616   5.938
  552   1HG1  VAL  75          1HG1      VAL  75  -4.958   6.122   7.787
  553   2HG1  VAL  75          2HG1      VAL  75  -3.518   5.552   6.943
  554   3HG1  VAL  75          3HG1      VAL  75  -5.059   4.724   6.717
  555   1HG2  VAL  75          1HG2      VAL  75  -4.362   5.079   4.295
  556   2HG2  VAL  75          2HG2      VAL  75  -3.101   6.275   4.592
  557   3HG2  VAL  75          3HG2      VAL  75  -4.493   6.691   3.592
  558    H    GLU  76           H        GLU  76  -6.383   8.983   6.283
  559    HA   GLU  76           HA       GLU  76  -7.640  10.082   3.801
  560   1HB   GLU  76          2HB       GLU  76  -7.454  11.669   6.333
  561   2HB   GLU  76          1HB       GLU  76  -8.705  11.683   5.091
  562   1HG   GLU  76          2HG       GLU  76  -9.260   9.295   5.842
  563   2HG   GLU  76          1HG       GLU  76  -8.256   9.622   7.253
  564    H    LYS  77           H        LYS  77  -6.682  11.878   2.796
  565    HA   LYS  77           HA       LYS  77  -3.862  12.068   2.813
  566   1HB   LYS  77          2HB       LYS  77  -6.055  13.897   1.856
  567   2HB   LYS  77          1HB       LYS  77  -4.372  14.415   1.769
  568   1HG   LYS  77          2HG       LYS  77  -5.130  11.705   0.711
  569   2HG   LYS  77          1HG       LYS  77  -5.458  13.135  -0.266
  570   1HD   LYS  77          2HD       LYS  77  -2.732  12.807   0.958
  571   2HD   LYS  77          1HD       LYS  77  -3.139  11.884  -0.489
  572   1HE   LYS  77          2HE       LYS  77  -3.447  13.815  -1.790
  573   2HE   LYS  77          1HE       LYS  77  -3.668  14.848  -0.378
  574   1HZ   LYS  77          1HZ       LYS  77  -1.306  14.306  -1.761
  575   2HZ   LYS  77          2HZ       LYS  77  -1.153  13.622  -0.214
  576   3HZ   LYS  77          3HZ       LYS  77  -1.512  15.274  -0.384
  577    H    LYS  78           H        LYS  78  -6.271  13.837   4.709
  578    HA   LYS  78           HA       LYS  78  -4.091  15.433   5.972
  579   1HB   LYS  78          2HB       LYS  78  -7.050  15.755   5.670
  580   2HB   LYS  78          1HB       LYS  78  -6.291  16.463   7.095
  581   1HG   LYS  78          2HG       LYS  78  -6.354  18.106   5.277
  582   2HG   LYS  78          1HG       LYS  78  -4.685  17.656   5.622
  583   1HD   LYS  78          2HD       LYS  78  -4.618  16.169   3.720
  584   2HD   LYS  78          1HD       LYS  78  -6.348  16.367   3.442
  585   1HE   LYS  78          2HE       LYS  78  -5.901  18.844   3.108
  586   2HE   LYS  78          1HE       LYS  78  -4.181  18.456   3.116
  587   1HZ   LYS  78          1HZ       LYS  78  -5.682  16.741   1.391
  588   2HZ   LYS  78          2HZ       LYS  78  -4.294  17.662   1.060
  589   3HZ   LYS  78          3HZ       LYS  78  -5.833  18.371   0.952
  590    H    ASP  79           H        ASP  79  -4.888  12.474   6.507
  591    HA   ASP  79           HA       ASP  79  -4.599  12.693   9.414
  592   1HB   ASP  79          2HB       ASP  79  -7.134  12.818   8.723
  593   2HB   ASP  79          1HB       ASP  79  -6.956  11.081   8.486
  594    HA   PRO  80           HA       PRO  80  -2.684   9.010   7.239
  595   1HB   PRO  80          2HB       PRO  80  -0.282   9.581   8.721
  596   2HB   PRO  80          1HB       PRO  80  -0.548   9.707   6.981
  597   1HG   PRO  80          2HG       PRO  80  -0.212  11.842   8.840
  598   2HG   PRO  80          1HG       PRO  80  -0.573  11.965   7.116
  599   1HD   PRO  80          2HD       PRO  80  -2.340  12.468   9.373
  600   2HD   PRO  80          1HD       PRO  80  -2.655  12.734   7.640
  601    H    GLY  81           H        GLY  81  -4.234   9.321   9.859
  602   1HA   GLY  81          2HA       GLY  81  -3.048   6.933  11.191
  603   2HA   GLY  81          1HA       GLY  81  -3.450   8.343  12.173
  604    H    LYS  82           H        LYS  82  -5.846   9.157  11.078
  605    HA   LYS  82           HA       LYS  82  -7.649   7.084  12.086
  606   1HB   LYS  82          2HB       LYS  82  -8.336   9.737  10.786
  607   2HB   LYS  82          1HB       LYS  82  -9.405   8.741  11.771
  608   1HG   LYS  82          2HG       LYS  82  -6.785   9.740  12.883
  609   2HG   LYS  82          1HG       LYS  82  -8.218  10.766  12.899
  610   1HD   LYS  82          2HD       LYS  82  -9.455   8.931  14.077
  611   2HD   LYS  82          1HD       LYS  82  -7.944   8.026  14.169
  612   1HE   LYS  82          2HE       LYS  82  -8.186  10.844  15.230
  613   2HE   LYS  82          1HE       LYS  82  -8.556   9.435  16.223
  614   1HZ   LYS  82          1HZ       LYS  82  -6.307   9.940  16.608
  615   2HZ   LYS  82          2HZ       LYS  82  -5.975  10.142  14.953
  616   3HZ   LYS  82          3HZ       LYS  82  -6.293   8.593  15.576
  617    H    THR  83           H        THR  83  -9.041   5.825  10.852
  618    HA   THR  83           HA       THR  83  -8.364   5.520   8.034
  619    HB   THR  83           HB       THR  83 -10.233   4.142   9.943
  620    HG1  THR  83           1HG      THR  83  -8.322   3.212  10.007
  621   1HG2  THR  83          1HG2      THR  83 -10.310   4.086   6.944
  622   2HG2  THR  83          2HG2      THR  83 -11.644   4.029   8.095
  623   3HG2  THR  83          3HG2      THR  83 -10.637   2.604   7.841
  624    H    CYS  84           H        CYS  84  -9.703   6.020   6.260
  625    HA   CYS  84           HA       CYS  84 -11.545   8.239   6.678
  626   1HB   CYS  84          2HB       CYS  84  -9.948   7.439   4.594
  627   2HB   CYS  84          1HB       CYS  84 -11.538   6.933   4.025
  628    H    ASP  85           H        ASP  85 -13.535   7.706   4.766
  629    HA   ASP  85           HA       ASP  85 -15.323   6.035   6.345
  630   1HB   ASP  85          2HB       ASP  85 -16.062   8.092   5.117
  631   2HB   ASP  85          1HB       ASP  85 -15.784   7.238   3.600
  632    H    VAL  86           H        VAL  86 -15.745   3.900   6.034
  633    HA   VAL  86           HA       VAL  86 -14.946   2.654   3.434
  634    HB   VAL  86           HB       VAL  86 -14.652   1.264   6.102
  635   1HG1  VAL  86          1HG1      VAL  86 -12.991  -0.063   4.723
  636   2HG1  VAL  86          2HG1      VAL  86 -13.568   0.816   3.307
  637   3HG1  VAL  86          3HG1      VAL  86 -14.669  -0.226   4.207
  638   1HG2  VAL  86          1HG2      VAL  86 -12.640   2.963   4.602
  639   2HG2  VAL  86          2HG2      VAL  86 -12.194   1.811   5.861
  640   3HG2  VAL  86          3HG2      VAL  86 -13.212   3.196   6.254
  641    H    THR  87           H        THR  87 -16.052   0.424   3.225
  642    HA   THR  87           HA       THR  87 -18.662   0.331   4.651
  643    HB   THR  87           HB       THR  87 -18.451   0.046   1.646
  644    HG1  THR  87           1HG      THR  87 -19.799   2.184   2.256
  645   1HG2  THR  87          1HG2      THR  87 -20.930   0.367   1.829
  646   2HG2  THR  87          2HG2      THR  87 -20.762   0.321   3.584
  647   3HG2  THR  87          3HG2      THR  87 -20.354  -1.099   2.620
  648    H    GLY  88           H        GLY  88 -16.575  -1.306   2.269
  649   1HA   GLY  88          2HA       GLY  88 -16.451  -3.736   3.778
  650   2HA   GLY  88          1HA       GLY  88 -17.676  -3.899   2.518
  651    H    TRP  89           H        TRP  89 -16.280  -5.533   1.519
  652    HA   TRP  89           HA       TRP  89 -14.333  -4.283  -0.320
  653   1HB   TRP  89          2HB       TRP  89 -13.446  -6.768   1.123
  654   2HB   TRP  89          1HB       TRP  89 -12.469  -5.539   0.319
  655    HD1  TRP  89           HD       TRP  89 -11.565  -3.614   1.755
  656    HE1  TRP  89           1HE      TRP  89 -11.856  -2.889   4.213
  657    HE3  TRP  89           3HE      TRP  89 -15.322  -6.770   3.165
  658    HZ2  TRP  89           2HZ      TRP  89 -13.470  -3.562   6.478
  659    HZ3  TRP  89           3HZ      TRP  89 -16.217  -6.708   5.474
  660    HH2  TRP  89           HH       TRP  89 -15.298  -5.110   7.132
  661    H    VAL  90           H        VAL  90 -14.225  -5.376  -2.280
  662    HA   VAL  90           HA       VAL  90 -15.730  -7.955  -2.485
  663    HB   VAL  90           HB       VAL  90 -15.834  -5.668  -4.471
  664   1HG1  VAL  90          1HG1      VAL  90 -16.098  -7.809  -5.567
  665   2HG1  VAL  90          2HG1      VAL  90 -17.695  -7.074  -5.429
  666   3HG1  VAL  90          3HG1      VAL  90 -17.216  -8.360  -4.320
  667   1HG2  VAL  90          1HG2      VAL  90 -17.863  -6.658  -2.444
  668   2HG2  VAL  90          2HG2      VAL  90 -18.212  -5.489  -3.717
  669   3HG2  VAL  90          3HG2      VAL  90 -17.063  -5.087  -2.442
  670    H    LEU  91           H        LEU  91 -14.871  -9.425  -4.004
  671    HA   LEU  91           HA       LEU  91 -12.128  -9.537  -4.417
  672   1HB   LEU  91          2HB       LEU  91 -13.832 -11.355  -4.919
  673   2HB   LEU  91          1HB       LEU  91 -14.143 -10.534  -6.448
  674    HG   LEU  91           HG       LEU  91 -11.499 -10.658  -6.680
  675   1HD1  LEU  91          1HD1      LEU  91 -11.151 -11.617  -4.428
  676   2HD1  LEU  91          2HD1      LEU  91 -10.608 -12.729  -5.683
  677   3HD1  LEU  91          3HD1      LEU  91 -12.147 -13.004  -4.868
  678   1HD2  LEU  91          1HD2      LEU  91 -13.399 -12.987  -7.095
  679   2HD2  LEU  91          2HD2      LEU  91 -11.790 -12.884  -7.810
  680   3HD2  LEU  91          3HD2      LEU  91 -13.029 -11.709  -8.252
  Start of MODEL    2
    1   1H    GLN   1          1HT       GLN   1  -1.163  -2.187 -15.558
    2   2H    GLN   1          2HT       GLN   1  -2.800  -2.539 -15.269
    3   3H    GLN   1          3HT       GLN   1  -1.929  -3.426 -16.426
    4    HA   GLN   1           HA       GLN   1  -2.363  -4.329 -13.990
    5   1HB   GLN   1          2HB       GLN   1  -0.163  -5.619 -14.323
    6   2HB   GLN   1          1HB       GLN   1  -1.344  -5.719 -15.629
    7   1HG   GLN   1          2HG       GLN   1  -0.162  -4.060 -16.924
    8   2HG   GLN   1          1HG       GLN   1   0.921  -3.708 -15.577
    9   1HE2  GLN   1          1HE2      GLN   1   1.464  -4.866 -18.381
   10   2HE2  GLN   1          2HE2      GLN   1   2.347  -6.284 -18.074
   11    H    CYS   2           H        CYS   2  -1.573  -4.131 -11.914
   12    HA   CYS   2           HA       CYS   2  -0.466  -3.115 -10.109
   13   1HB   CYS   2          2HB       CYS   2   1.423  -4.377 -11.272
   14   2HB   CYS   2          1HB       CYS   2   1.858  -2.843 -12.026
   15    H    TYR   3           H        TYR   3   0.840  -1.027  -9.536
   16    HA   TYR   3           HA       TYR   3   0.317   1.186 -11.440
   17   1HB   TYR   3          2HB       TYR   3  -1.637   0.699  -9.693
   18   2HB   TYR   3          1HB       TYR   3  -0.574   1.588  -8.603
   19    HD1  TYR   3           1HD      TYR   3  -2.492   1.771 -11.769
   20    HD2  TYR   3           2HD      TYR   3  -0.201   3.954  -8.864
   21    HE1  TYR   3           1HE      TYR   3  -3.251   3.907 -12.775
   22    HE2  TYR   3           2HE      TYR   3  -0.960   6.090  -9.870
   23    HH   TYR   3           HH       TYR   3  -2.686   6.185 -12.892
   24    H    PHE   4           H        PHE   4   2.182   2.338 -11.499
   25    HA   PHE   4           HA       PHE   4   3.908   2.363  -9.052
   26   1HB   PHE   4          2HB       PHE   4   5.792   2.732 -10.520
   27   2HB   PHE   4          1HB       PHE   4   4.875   1.366 -11.155
   28    HD1  PHE   4           1HD      PHE   4   6.122   4.689 -11.819
   29    HD2  PHE   4           2HD      PHE   4   3.197   1.785 -13.026
   30    HE1  PHE   4           1HE      PHE   4   5.824   5.884 -13.971
   31    HE2  PHE   4           2HE      PHE   4   2.898   2.981 -15.178
   32    HZ   PHE   4           HZ       PHE   4   4.212   5.031 -15.650
   33    H    ILE   5           H        ILE   5   4.580   4.323  -8.221
   34    HA   ILE   5           HA       ILE   5   3.614   6.795  -9.595
   35    HB   ILE   5           HB       ILE   5   3.541   6.277  -6.612
   36   1HG1  ILE   5          2HG1      ILE   5   1.267   6.349  -8.618
   37   2HG1  ILE   5          1HG1      ILE   5   1.914   4.882  -7.881
   38   1HG2  ILE   5          1HG2      ILE   5   2.317   8.361  -6.490
   39   2HG2  ILE   5          2HG2      ILE   5   2.282   8.495  -8.248
   40   3HG2  ILE   5          3HG2      ILE   5   3.810   8.661  -7.379
   41   1HD1  ILE   5          1HD1      ILE   5   0.541   7.188  -6.478
   42   2HD1  ILE   5          2HD1      ILE   5   1.398   5.905  -5.623
   43   3HD1  ILE   5          3HD1      ILE   5  -0.021   5.520  -6.599
   44    HA   PRO   6           HA       PRO   6   7.940   7.861  -9.153
   45   1HB   PRO   6          2HB       PRO   6   7.334  10.677  -9.032
   46   2HB   PRO   6          1HB       PRO   6   7.978   9.752 -10.392
   47   1HG   PRO   6          2HG       PRO   6   5.315  10.814 -10.050
   48   2HG   PRO   6          1HG       PRO   6   5.993   9.979 -11.452
   49   1HD   PRO   6          2HD       PRO   6   4.036   8.973  -9.640
   50   2HD   PRO   6          1HD       PRO   6   4.856   8.070 -10.938
   51    H    ASN   7           H        ASN   7   9.235   8.098  -7.356
   52    HA   ASN   7           HA       ASN   7   8.247   8.175  -4.745
   53   1HB   ASN   7          2HB       ASN   7  10.670   7.741  -5.671
   54   2HB   ASN   7          1HB       ASN   7  10.898   9.462  -5.363
   55   1HD2  ASN   7          1HD2      ASN   7  10.354  10.193  -3.056
   56   2HD2  ASN   7          2HD2      ASN   7  10.637   9.100  -1.790
   57    H    GLN   8           H        GLN   8   8.295   9.910  -3.121
   58    HA   GLN   8           HA       GLN   8   8.220  12.675  -4.234
   59   1HB   GLN   8          2HB       GLN   8   6.098  11.709  -2.314
   60   2HB   GLN   8          1HB       GLN   8   6.094  13.159  -3.316
   61   1HG   GLN   8          2HG       GLN   8   4.656  11.709  -4.484
   62   2HG   GLN   8          1HG       GLN   8   6.193  11.506  -5.324
   63   1HE2  GLN   8          1HE2      GLN   8   6.751  10.051  -2.418
   64   2HE2  GLN   8          2HE2      GLN   8   6.270   8.465  -2.784
   65    H    SER   9           H        SER   9   9.528  10.632  -2.042
   66    HA   SER   9           HA       SER   9   9.389  12.155   0.400
   67   1HB   SER   9          2HB       SER   9  10.889  10.600   1.255
   68   2HB   SER   9          1HB       SER   9  10.214   9.682  -0.087
   69    HG   SER   9           HG       SER   9  12.107  11.005  -1.184
   70    H    LEU  10           H        LEU  10  11.099  13.490   1.311
   71    HA   LEU  10           HA       LEU  10  12.461  15.094  -0.766
   72   1HB   LEU  10          2HB       LEU  10  12.297  15.510   2.233
   73   2HB   LEU  10          1HB       LEU  10  12.915  16.672   1.060
   74    HG   LEU  10           HG       LEU  10  10.121  15.559   0.803
   75   1HD1  LEU  10          1HD1      LEU  10  11.085  17.833   2.549
   76   2HD1  LEU  10          2HD1      LEU  10  10.083  16.457   3.012
   77   3HD1  LEU  10          3HD1      LEU  10   9.421  17.721   1.977
   78   1HD2  LEU  10          1HD2      LEU  10  10.904  16.757  -1.132
   79   2HD2  LEU  10          2HD2      LEU  10  11.564  18.055  -0.137
   80   3HD2  LEU  10          3HD2      LEU  10   9.819  17.847  -0.270
   81    H    LYS  11           H        LYS  11  13.251  13.102   2.056
   82    HA   LYS  11           HA       LYS  11  16.063  13.565   2.036
   83   1HB   LYS  11          2HB       LYS  11  14.361  11.275   3.014
   84   2HB   LYS  11          1HB       LYS  11  16.116  11.260   3.182
   85   1HG   LYS  11          2HG       LYS  11  14.612  13.693   4.092
   86   2HG   LYS  11          1HG       LYS  11  14.583  12.254   5.110
   87   1HD   LYS  11          2HD       LYS  11  16.969  12.242   5.320
   88   2HD   LYS  11          1HD       LYS  11  17.153  13.452   4.051
   89   1HE   LYS  11          2HE       LYS  11  17.321  14.245   6.517
   90   2HE   LYS  11          1HE       LYS  11  16.320  15.186   5.410
   91   1HZ   LYS  11          1HZ       LYS  11  14.371  14.174   6.237
   92   2HZ   LYS  11          2HZ       LYS  11  15.276  14.630   7.600
   93   3HZ   LYS  11          3HZ       LYS  11  15.242  13.006   7.104
   94    HA   PRO  12           HA       PRO  12  16.714  11.421  -1.916
   95   1HB   PRO  12          2HB       PRO  12  19.560  11.669  -1.538
   96   2HB   PRO  12          1HB       PRO  12  18.517  12.588  -2.625
   97   1HG   PRO  12          2HG       PRO  12  19.791  13.507  -0.240
   98   2HG   PRO  12          1HG       PRO  12  18.705  14.407  -1.300
   99   1HD   PRO  12          2HD       PRO  12  18.171  13.379   1.357
  100   2HD   PRO  12          1HD       PRO  12  17.107  14.359   0.317
  101    H    ASN  13           H        ASN  13  16.209   9.773   0.346
  102    HA   ASN  13           HA       ASN  13  17.654   7.405  -0.385
  103   1HB   ASN  13          2HB       ASN  13  18.822   7.042   1.785
  104   2HB   ASN  13          1HB       ASN  13  19.460   8.434   0.908
  105   1HD2  ASN  13          1HD2      ASN  13  17.706   7.441   3.788
  106   2HD2  ASN  13          2HD2      ASN  13  17.617   8.982   4.495
  107    H    GLU  14           H        GLU  14  14.932   8.065  -0.139
  108    HA   GLU  14           HA       GLU  14  14.116   6.105   1.938
  109   1HB   GLU  14          2HB       GLU  14  13.144   8.948   1.669
  110   2HB   GLU  14          1HB       GLU  14  12.124   7.704   2.394
  111   1HG   GLU  14          2HG       GLU  14  13.821   7.215   4.059
  112   2HG   GLU  14          1HG       GLU  14  14.944   8.338   3.293
  113    H    CYS  15           H        CYS  15  11.728   5.537   1.597
  114    HA   CYS  15           HA       CYS  15  10.814   5.908  -1.197
  115   1HB   CYS  15          2HB       CYS  15  12.154   3.540  -0.317
  116   2HB   CYS  15          1HB       CYS  15  10.458   3.126  -0.545
  117    H    GLN  16           H        GLN  16   9.212   7.170   0.014
  118    HA   GLN  16           HA       GLN  16   7.271   5.516   1.569
  119   1HB   GLN  16          2HB       GLN  16   6.427   7.643   2.441
  120   2HB   GLN  16          1HB       GLN  16   8.171   7.551   2.683
  121   1HG   GLN  16          2HG       GLN  16   8.120   9.641   1.735
  122   2HG   GLN  16          1HG       GLN  16   8.126   8.713   0.236
  123   1HE2  GLN  16          1HE2      GLN  16   6.214  10.825   2.257
  124   2HE2  GLN  16          2HE2      GLN  16   4.838  10.859   1.263
  125    H    ASP  17           H        ASP  17   4.921   6.285   1.214
  126    HA   ASP  17           HA       ASP  17   4.267   7.427  -1.380
  127   1HB   ASP  17          2HB       ASP  17   4.942   5.143  -2.065
  128   2HB   ASP  17          1HB       ASP  17   3.767   4.464  -0.938
  129    H    LEU  18           H        LEU  18   1.900   7.619  -1.623
  130    HA   LEU  18           HA       LEU  18  -0.147   8.254  -0.645
  131   1HB   LEU  18          2HB       LEU  18   0.218   5.671   0.896
  132   2HB   LEU  18          1HB       LEU  18  -1.303   6.454   0.466
  133    HG   LEU  18           HG       LEU  18   0.165   6.087  -1.960
  134   1HD1  LEU  18          1HD1      LEU  18   1.462   4.370  -0.746
  135   2HD1  LEU  18          2HD1      LEU  18   0.437   3.643  -1.982
  136   3HD1  LEU  18          3HD1      LEU  18  -0.038   3.567  -0.285
  137   1HD2  LEU  18          1HD2      LEU  18  -1.766   4.533  -2.448
  138   2HD2  LEU  18          2HD2      LEU  18  -2.250   6.126  -1.867
  139   3HD2  LEU  18          3HD2      LEU  18  -2.281   4.743  -0.774
  140    H    LYS  19           H        LYS  19  -1.010   7.466   2.062
  141    HA   LYS  19           HA       LYS  19   0.805   9.249   3.643
  142   1HB   LYS  19          2HB       LYS  19  -1.858   9.667   3.045
  143   2HB   LYS  19          1HB       LYS  19  -1.957   8.903   4.629
  144   1HG   LYS  19          2HG       LYS  19  -1.741  11.169   5.183
  145   2HG   LYS  19          1HG       LYS  19  -0.075  10.601   5.290
  146   1HD   LYS  19          2HD       LYS  19   0.125  11.298   2.809
  147   2HD   LYS  19          1HD       LYS  19  -1.374  12.186   3.072
  148   1HE   LYS  19          2HE       LYS  19   1.324  12.628   4.327
  149   2HE   LYS  19          1HE       LYS  19   0.254  13.801   3.558
  150   1HZ   LYS  19          1HZ       LYS  19  -0.320  14.288   5.649
  151   2HZ   LYS  19          2HZ       LYS  19   0.273  12.824   6.274
  152   3HZ   LYS  19          3HZ       LYS  19  -1.271  12.885   5.567
  153    H    GLY  20           H        GLY  20   0.795   6.222   3.303
  154   1HA   GLY  20          2HA       GLY  20   0.889   5.631   6.209
  155   2HA   GLY  20          1HA       GLY  20  -0.165   4.622   5.222
  156    H    VAL  21           H        VAL  21   2.566   5.677   3.488
  157    HA   VAL  21           HA       VAL  21   3.902   3.039   3.987
  158    HB   VAL  21           HB       VAL  21   4.068   4.706   1.469
  159   1HG1  VAL  21          1HG1      VAL  21   5.926   3.153   1.797
  160   2HG1  VAL  21          2HG1      VAL  21   4.870   2.541   0.523
  161   3HG1  VAL  21          3HG1      VAL  21   4.798   1.840   2.140
  162   1HG2  VAL  21          1HG2      VAL  21   1.788   4.058   1.567
  163   2HG2  VAL  21          2HG2      VAL  21   2.179   2.494   2.281
  164   3HG2  VAL  21          3HG2      VAL  21   2.552   2.806   0.587
  165    H    SER  22           H        SER  22   6.145   3.042   4.296
  166    HA   SER  22           HA       SER  22   7.821   5.335   3.827
  167   1HB   SER  22          2HB       SER  22   6.734   6.380   5.681
  168   2HB   SER  22          1HB       SER  22   6.771   4.895   6.629
  169    HG   SER  22           HG       SER  22   9.243   5.618   5.782
  170    H    HIS  23           H        HIS  23   9.581   4.140   3.232
  171    HA   HIS  23           HA       HIS  23  10.765   2.334   5.242
  172   1HB   HIS  23          2HB       HIS  23   9.486   1.434   2.725
  173   2HB   HIS  23          1HB       HIS  23  11.091   0.766   3.018
  174    HD1  HIS  23           1HD      HIS  23  11.308  -1.006   4.816
  175    HD2  HIS  23           2HD      HIS  23   7.573   0.845   4.859
  176    HE1  HIS  23           1HE      HIS  23   9.880  -2.313   6.450
  177    HA   PRO  24           HA       PRO  24  14.558   4.052   3.780
  178   1HB   PRO  24          2HB       PRO  24  15.955   1.545   3.540
  179   2HB   PRO  24          1HB       PRO  24  16.055   2.732   4.842
  180   1HG   PRO  24          2HG       PRO  24  14.754   0.154   4.865
  181   2HG   PRO  24          1HG       PRO  24  14.959   1.293   6.199
  182   1HD   PRO  24          2HD       PRO  24  12.529   0.662   4.843
  183   2HD   PRO  24          1HD       PRO  24  12.779   1.947   6.051
  184    H    LEU  25           H        LEU  25  16.170   3.906   1.919
  185    HA   LEU  25           HA       LEU  25  14.773   3.516  -0.563
  186   1HB   LEU  25          2HB       LEU  25  16.818   5.078   0.080
  187   2HB   LEU  25          1HB       LEU  25  17.768   3.689  -0.441
  188    HG   LEU  25           HG       LEU  25  16.246   3.731  -2.560
  189   1HD1  LEU  25          1HD1      LEU  25  15.615   6.173  -3.074
  190   2HD1  LEU  25          2HD1      LEU  25  15.756   6.453  -1.341
  191   3HD1  LEU  25          3HD1      LEU  25  14.570   5.303  -1.954
  192   1HD2  LEU  25          1HD2      LEU  25  17.732   5.572  -3.542
  193   2HD2  LEU  25          2HD2      LEU  25  18.572   4.228  -2.769
  194   3HD2  LEU  25          3HD2      LEU  25  18.393   5.762  -1.918
  195    H    ASN  26           H        ASN  26  15.676   2.066  -2.334
  196    HA   ASN  26           HA       ASN  26  16.061  -0.123  -3.079
  197   1HB   ASN  26          2HB       ASN  26  18.077   0.047  -0.819
  198   2HB   ASN  26          1HB       ASN  26  18.036  -1.247  -2.017
  199   1HD2  ASN  26          1HD2      ASN  26  18.708  -0.743  -4.203
  200   2HD2  ASN  26          2HD2      ASN  26  19.461   0.725  -4.597
  201    H    SER  27           H        SER  27  14.127   0.419  -0.770
  202    HA   SER  27           HA       SER  27  14.238  -2.086   0.769
  203   1HB   SER  27          2HB       SER  27  11.987  -1.186   1.636
  204   2HB   SER  27          1HB       SER  27  13.421  -0.237   2.012
  205    HG   SER  27           HG       SER  27  12.910   1.137   0.315
  206    H    VAL  28           H        VAL  28  13.425  -3.946  -0.052
  207    HA   VAL  28           HA       VAL  28  11.123  -3.777  -1.957
  208    HB   VAL  28           HB       VAL  28  12.357  -6.101  -2.676
  209   1HG1  VAL  28          1HG1      VAL  28  12.734  -3.276  -3.675
  210   2HG1  VAL  28          2HG1      VAL  28  11.698  -4.541  -4.336
  211   3HG1  VAL  28          3HG1      VAL  28  13.449  -4.656  -4.509
  212   1HG2  VAL  28          1HG2      VAL  28  14.229  -5.568  -1.075
  213   2HG2  VAL  28          2HG2      VAL  28  14.596  -4.152  -2.060
  214   3HG2  VAL  28          3HG2      VAL  28  14.755  -5.768  -2.747
  215    H    TRP  29           H        TRP  29   9.384  -4.936  -1.266
  216    HA   TRP  29           HA       TRP  29   9.797  -7.381   0.341
  217   1HB   TRP  29          2HB       TRP  29   8.307  -6.647   2.139
  218   2HB   TRP  29          1HB       TRP  29   9.672  -5.538   2.009
  219    HD1  TRP  29           HD       TRP  29   5.932  -5.728   1.671
  220    HE1  TRP  29           1HE      TRP  29   4.992  -3.384   1.155
  221    HE3  TRP  29           3HE      TRP  29  10.281  -3.219   0.740
  222    HZ2  TRP  29           2HZ      TRP  29   5.957  -0.788   0.443
  223    HZ3  TRP  29           3HZ      TRP  29  10.241  -0.814   0.144
  224    HH2  TRP  29           HH       TRP  29   8.087   0.403  -0.005
  225    H    LYS  30           H        LYS  30   8.312  -8.892  -0.247
  226    HA   LYS  30           HA       LYS  30   5.744  -7.980  -1.464
  227   1HB   LYS  30          2HB       LYS  30   7.421 -10.236  -2.595
  228   2HB   LYS  30          1HB       LYS  30   5.964  -9.532  -3.290
  229   1HG   LYS  30          2HG       LYS  30   7.492  -8.346  -4.530
  230   2HG   LYS  30          1HG       LYS  30   7.473  -7.295  -3.114
  231   1HD   LYS  30          2HD       LYS  30   9.434  -8.437  -2.198
  232   2HD   LYS  30          1HD       LYS  30   9.425  -9.580  -3.541
  233   1HE   LYS  30          2HE       LYS  30   9.613  -7.513  -5.069
  234   2HE   LYS  30          1HE       LYS  30  10.041  -6.625  -3.606
  235   1HZ   LYS  30          1HZ       LYS  30  12.100  -7.331  -3.988
  236   2HZ   LYS  30          2HZ       LYS  30  11.598  -8.478  -5.136
  237   3HZ   LYS  30          3HZ       LYS  30  11.577  -8.863  -3.482
  238    H    THR  31           H        THR  31   4.019  -9.516  -1.224
  239    HA   THR  31           HA       THR  31   4.452 -11.386   1.041
  240    HB   THR  31           HB       THR  31   2.093 -11.347   1.344
  241    HG1  THR  31           1HG      THR  31   0.766 -11.104  -0.269
  242   1HG2  THR  31          1HG2      THR  31   3.261  -9.213   1.903
  243   2HG2  THR  31          2HG2      THR  31   1.570  -8.972   1.465
  244   3HG2  THR  31          3HG2      THR  31   2.844  -8.602   0.302
  245    H    LYS  32           H        LYS  32   2.494 -13.266   0.582
  246    HA   LYS  32           HA       LYS  32   3.727 -14.863  -1.563
  247   1HB   LYS  32          2HB       LYS  32   1.670 -15.451   0.573
  248   2HB   LYS  32          1HB       LYS  32   2.068 -16.614  -0.693
  249   1HG   LYS  32          2HG       LYS  32   4.324 -16.793   0.028
  250   2HG   LYS  32          1HG       LYS  32   4.202 -15.344   1.027
  251   1HD   LYS  32          2HD       LYS  32   2.831 -16.436   2.633
  252   2HD   LYS  32          1HD       LYS  32   2.500 -17.786   1.547
  253   1HE   LYS  32          2HE       LYS  32   4.252 -18.143   3.428
  254   2HE   LYS  32          1HE       LYS  32   4.664 -18.682   1.801
  255   1HZ   LYS  32          1HZ       LYS  32   6.141 -16.994   1.510
  256   2HZ   LYS  32          2HZ       LYS  32   6.285 -17.187   3.191
  257   3HZ   LYS  32          3HZ       LYS  32   5.330 -15.934   2.557
  258    H    ASP  33           H        ASP  33   0.655 -13.280  -0.855
  259    HA   ASP  33           HA       ASP  33  -0.044 -13.158  -3.653
  260   1HB   ASP  33          2HB       ASP  33  -2.080 -14.592  -3.520
  261   2HB   ASP  33          1HB       ASP  33  -0.592 -15.519  -3.329
  262    H    CYS  34           H        CYS  34   0.043 -11.003  -2.298
  263    HA   CYS  34           HA       CYS  34  -2.765 -10.259  -1.779
  264   1HB   CYS  34          2HB       CYS  34  -0.578  -9.840   0.280
  265   2HB   CYS  34          1HB       CYS  34  -2.224  -9.217   0.392
  266    H    GLU  35           H        GLU  35   0.604  -9.102  -1.609
  267    HA   GLU  35           HA       GLU  35   0.012  -6.998  -3.552
  268   1HB   GLU  35          2HB       GLU  35  -0.814  -5.772  -1.702
  269   2HB   GLU  35          1HB       GLU  35   0.440  -6.381  -0.626
  270   1HG   GLU  35          2HG       GLU  35   2.102  -5.008  -1.590
  271   2HG   GLU  35          1HG       GLU  35   1.139  -4.709  -3.038
  272    H    GLU  36           H        GLU  36   1.992  -5.857  -4.186
  273    HA   GLU  36           HA       GLU  36   4.533  -7.032  -3.176
  274   1HB   GLU  36          2HB       GLU  36   3.839  -6.817  -6.123
  275   2HB   GLU  36          1HB       GLU  36   5.330  -7.465  -5.438
  276   1HG   GLU  36          2HG       GLU  36   3.817  -9.145  -4.195
  277   2HG   GLU  36          1HG       GLU  36   2.550  -8.638  -5.312
  278    H    CYS  37           H        CYS  37   5.246  -5.074  -2.317
  279    HA   CYS  37           HA       CYS  37   5.250  -2.713  -4.139
  280   1HB   CYS  37          2HB       CYS  37   5.235  -3.024  -1.157
  281   2HB   CYS  37          1HB       CYS  37   5.890  -1.551  -1.873
  282    H    THR  38           H        THR  38   7.137  -2.016  -4.957
  283    HA   THR  38           HA       THR  38   9.679  -2.984  -3.699
  284    HB   THR  38           HB       THR  38  10.650  -3.184  -5.893
  285    HG1  THR  38           1HG      THR  38   8.840  -2.765  -7.618
  286   1HG2  THR  38          1HG2      THR  38   9.357  -4.967  -6.811
  287   2HG2  THR  38          2HG2      THR  38   7.855  -4.298  -6.172
  288   3HG2  THR  38          3HG2      THR  38   9.046  -4.995  -5.075
  289    H    CYS  39           H        CYS  39  11.513  -1.473  -4.028
  290    HA   CYS  39           HA       CYS  39  10.553   1.359  -4.179
  291   1HB   CYS  39          2HB       CYS  39  11.501   0.843  -2.013
  292   2HB   CYS  39          1HB       CYS  39  12.924   0.114  -2.757
  293    H    GLY  40           H        GLY  40  10.870   1.914  -6.322
  294   1HA   GLY  40          2HA       GLY  40  13.254   1.043  -7.781
  295   2HA   GLY  40          1HA       GLY  40  12.006   2.131  -8.391
  296    H    GLN  41           H        GLN  41  15.096   2.269  -8.154
  297    HA   GLN  41           HA       GLN  41  15.800   4.335  -6.346
  298   1HB   GLN  41          2HB       GLN  41  17.549   3.110  -7.451
  299   2HB   GLN  41          1HB       GLN  41  16.943   3.564  -9.043
  300   1HG   GLN  41          2HG       GLN  41  17.712   5.735  -7.114
  301   2HG   GLN  41          1HG       GLN  41  18.984   4.867  -7.972
  302   1HE2  GLN  41          1HE2      GLN  41  17.543   7.704  -8.243
  303   2HE2  GLN  41          2HE2      GLN  41  17.333   7.831  -9.923
  304    H    ASP  42           H        ASP  42  13.741   4.455  -9.033
  305    HA   ASP  42           HA       ASP  42  13.982   7.442  -9.112
  306   1HB   ASP  42          2HB       ASP  42  13.086   5.713 -11.427
  307   2HB   ASP  42          1HB       ASP  42  13.510   7.425 -11.455
  308    H    ALA  43           H        ALA  43  11.962   4.682  -8.687
  309    HA   ALA  43           HA       ALA  43   9.711   6.418  -7.992
  310   1HB   ALA  43          1HB       ALA  43   8.142   5.237  -9.585
  311   2HB   ALA  43          2HB       ALA  43   9.562   4.573 -10.391
  312   3HB   ALA  43          3HB       ALA  43   9.297   6.316 -10.366
  313    H    ILE  44           H        ILE  44   7.725   4.856  -7.504
  314    HA   ILE  44           HA       ILE  44   8.813   2.423  -6.126
  315    HB   ILE  44           HB       ILE  44   6.671   4.387  -5.263
  316   1HG1  ILE  44          2HG1      ILE  44   9.118   3.371  -3.795
  317   2HG1  ILE  44          1HG1      ILE  44   9.131   4.830  -4.785
  318   1HG2  ILE  44          1HG2      ILE  44   6.516   2.796  -3.248
  319   2HG2  ILE  44          2HG2      ILE  44   7.300   1.600  -4.280
  320   3HG2  ILE  44          3HG2      ILE  44   5.733   2.266  -4.736
  321   1HD1  ILE  44          1HD1      ILE  44   8.722   5.372  -2.408
  322   2HD1  ILE  44          2HD1      ILE  44   7.299   4.329  -2.420
  323   3HD1  ILE  44          3HD1      ILE  44   7.330   5.792  -3.405
  324    H    SER  45           H        SER  45   7.801   0.522  -6.657
  325    HA   SER  45           HA       SER  45   5.359   0.709  -8.379
  326   1HB   SER  45          2HB       SER  45   6.107  -1.134  -9.565
  327   2HB   SER  45          1HB       SER  45   7.655  -0.435  -9.095
  328    HG   SER  45           HG       SER  45   7.483  -2.688  -8.620
  329    H    CYS  46           H        CYS  46   3.493  -0.012  -7.483
  330    HA   CYS  46           HA       CYS  46   3.650  -2.099  -5.350
  331   1HB   CYS  46          2HB       CYS  46   2.326   0.595  -5.229
  332   2HB   CYS  46          1HB       CYS  46   1.628  -0.756  -4.336
  333    H    CYS  47           H        CYS  47   2.411  -3.787  -5.914
  334    HA   CYS  47           HA       CYS  47   0.092  -3.305  -7.753
  335   1HB   CYS  47          2HB       CYS  47   1.415  -5.986  -7.398
  336   2HB   CYS  47          1HB       CYS  47   0.503  -5.374  -8.778
  337    H    ASN  48           H        ASN  48  -1.905  -4.004  -7.069
  338    HA   ASN  48           HA       ASN  48  -2.016  -5.349  -4.394
  339   1HB   ASN  48          2HB       ASN  48  -4.375  -4.418  -4.354
  340   2HB   ASN  48          1HB       ASN  48  -3.099  -3.200  -4.322
  341   1HD2  ASN  48          1HD2      ASN  48  -5.782  -4.446  -6.183
  342   2HD2  ASN  48          2HD2      ASN  48  -5.653  -3.351  -7.474
  343    H    THR  49           H        THR  49  -3.465  -7.120  -4.135
  344    HA   THR  49           HA       THR  49  -4.618  -8.226  -6.667
  345    HB   THR  49           HB       THR  49  -3.877 -10.460  -6.013
  346    HG1  THR  49           1HG      THR  49  -3.891 -10.277  -3.802
  347   1HG2  THR  49          1HG2      THR  49  -2.305  -9.237  -7.368
  348   2HG2  THR  49          2HG2      THR  49  -1.383 -10.073  -6.120
  349   3HG2  THR  49          3HG2      THR  49  -1.710  -8.347  -5.967
  350    H    ALA  50           H        ALA  50  -4.854  -7.788  -3.203
  351    HA   ALA  50           HA       ALA  50  -7.134  -9.548  -2.843
  352   1HB   ALA  50          1HB       ALA  50  -7.305  -8.569  -0.637
  353   2HB   ALA  50          2HB       ALA  50  -6.313  -7.193  -1.120
  354   3HB   ALA  50          3HB       ALA  50  -5.594  -8.798  -0.994
  355    H    ALA  51           H        ALA  51  -9.326  -8.724  -2.252
  356    HA   ALA  51           HA       ALA  51 -10.500  -7.146  -4.245
  357   1HB   ALA  51          1HB       ALA  51 -11.875  -8.505  -2.788
  358   2HB   ALA  51          2HB       ALA  51 -12.392  -6.829  -2.612
  359   3HB   ALA  51          3HB       ALA  51 -11.379  -7.572  -1.375
  360    H    ILE  52           H        ILE  52 -11.305  -4.931  -4.195
  361    HA   ILE  52           HA       ILE  52  -9.567  -3.138  -2.556
  362    HB   ILE  52           HB       ILE  52 -11.058  -2.476  -5.109
  363   1HG1  ILE  52          2HG1      ILE  52  -8.697  -2.565  -6.091
  364   2HG1  ILE  52          1HG1      ILE  52  -8.218  -3.416  -4.624
  365   1HG2  ILE  52          1HG2      ILE  52  -8.772  -1.068  -3.703
  366   2HG2  ILE  52          2HG2      ILE  52 -10.464  -0.580  -3.594
  367   3HG2  ILE  52          3HG2      ILE  52  -9.624  -0.512  -5.144
  368   1HD1  ILE  52          1HD1      ILE  52  -9.213  -5.348  -5.281
  369   2HD1  ILE  52          2HD1      ILE  52  -9.182  -4.635  -6.891
  370   3HD1  ILE  52          3HD1      ILE  52 -10.638  -4.519  -5.905
  371    HA   PRO  53           HA       PRO  53 -13.338  -2.066  -0.366
  372   1HB   PRO  53          2HB       PRO  53 -12.299   0.534   0.308
  373   2HB   PRO  53          1HB       PRO  53 -12.425  -0.894   1.339
  374   1HG   PRO  53          2HG       PRO  53 -10.056   0.261   0.188
  375   2HG   PRO  53          1HG       PRO  53 -10.180  -1.136   1.262
  376   1HD   PRO  53          2HD       PRO  53  -9.529  -1.138  -1.531
  377   2HD   PRO  53          1HD       PRO  53  -9.749  -2.551  -0.468
  378    H    THR  54           H        THR  54 -15.218  -1.182  -1.166
  379    HA   THR  54           HA       THR  54 -15.061   1.284  -2.828
  380    HB   THR  54           HB       THR  54 -15.948   0.341  -4.725
  381    HG1  THR  54           1HG      THR  54 -17.885  -0.282  -3.903
  382   1HG2  THR  54          1HG2      THR  54 -13.906  -0.993  -4.156
  383   2HG2  THR  54          2HG2      THR  54 -15.070  -1.883  -5.138
  384   3HG2  THR  54          3HG2      THR  54 -14.953  -2.197  -3.407
  385    H    GLY  55           H        GLY  55 -17.480   1.940  -3.361
  386   1HA   GLY  55          2HA       GLY  55 -19.651   2.420  -2.576
  387   2HA   GLY  55          1HA       GLY  55 -19.480   1.089  -1.430
  388    H    TYR  56           H        TYR  56 -16.766   2.749  -0.877
  389    HA   TYR  56           HA       TYR  56 -17.920   4.084   1.472
  390   1HB   TYR  56          2HB       TYR  56 -15.749   4.187   2.305
  391   2HB   TYR  56          1HB       TYR  56 -15.651   2.762   1.273
  392    HD1  TYR  56           1HD      TYR  56 -14.388   6.078   1.900
  393    HD2  TYR  56           2HD      TYR  56 -14.795   3.054  -1.124
  394    HE1  TYR  56           1HE      TYR  56 -12.600   7.167   0.572
  395    HE2  TYR  56           2HE      TYR  56 -13.007   4.144  -2.452
  396    HH   TYR  56           HH       TYR  56 -12.109   6.858  -2.451
  397    H    ASP  57           H        ASP  57 -17.393   6.378   1.953
  398    HA   ASP  57           HA       ASP  57 -18.102   8.116  -0.200
  399   1HB   ASP  57          2HB       ASP  57 -16.681   8.864   2.373
  400   2HB   ASP  57          1HB       ASP  57 -17.632   9.937   1.345
  401    H    THR  58           H        THR  58 -16.834   8.740  -1.873
  402    HA   THR  58           HA       THR  58 -13.893   8.445  -1.642
  403    HB   THR  58           HB       THR  58 -13.840   8.537  -4.010
  404    HG1  THR  58           1HG      THR  58 -15.390   9.499  -5.198
  405   1HG2  THR  58          1HG2      THR  58 -15.435   6.872  -4.696
  406   2HG2  THR  58          2HG2      THR  58 -16.545   7.323  -3.402
  407   3HG2  THR  58          3HG2      THR  58 -15.017   6.530  -3.018
  408    H    ASN  59           H        ASN  59 -13.726  10.318  -0.145
  409    HA   ASN  59           HA       ASN  59 -14.287  12.968  -1.347
  410   1HB   ASN  59          2HB       ASN  59 -14.848  12.587   1.034
  411   2HB   ASN  59          1HB       ASN  59 -13.152  12.239   1.370
  412   1HD2  ASN  59          1HD2      ASN  59 -15.322  14.843   0.192
  413   2HD2  ASN  59          2HD2      ASN  59 -14.297  16.116   0.650
  414    H    LYS  60           H        LYS  60 -11.476  11.362   0.199
  415    HA   LYS  60           HA       LYS  60  -9.667  12.057  -1.907
  416   1HB   LYS  60          2HB       LYS  60 -10.297  14.207  -0.151
  417   2HB   LYS  60          1HB       LYS  60  -8.662  13.689   0.257
  418   1HG   LYS  60          2HG       LYS  60  -7.964  13.916  -2.068
  419   2HG   LYS  60          1HG       LYS  60  -9.614  14.306  -2.555
  420   1HD   LYS  60          2HD       LYS  60  -9.564  16.335  -1.172
  421   2HD   LYS  60          1HD       LYS  60  -7.931  15.941  -0.633
  422   1HE   LYS  60          2HE       LYS  60  -8.137  17.623  -2.570
  423   2HE   LYS  60          1HE       LYS  60  -7.016  16.281  -2.796
  424   1HZ   LYS  60          1HZ       LYS  60  -9.808  16.412  -3.803
  425   2HZ   LYS  60          2HZ       LYS  60  -8.758  15.089  -3.989
  426   3HZ   LYS  60          3HZ       LYS  60  -8.402  16.570  -4.739
  427    H    CYS  61           H        CYS  61 -10.400   9.926   0.069
  428    HA   CYS  61           HA       CYS  61  -7.969   9.647   1.718
  429   1HB   CYS  61          2HB       CYS  61 -10.399   7.880   1.324
  430   2HB   CYS  61          1HB       CYS  61  -9.055   7.477   2.393
  431    H    GLN  62           H        GLN  62  -6.993   7.297   1.614
  432    HA   GLN  62           HA       GLN  62  -6.668   6.501  -1.256
  433   1HB   GLN  62          2HB       GLN  62  -4.516   6.886   0.843
  434   2HB   GLN  62          1HB       GLN  62  -4.250   6.052  -0.688
  435   1HG   GLN  62          2HG       GLN  62  -4.749   8.025  -1.954
  436   2HG   GLN  62          1HG       GLN  62  -5.357   8.864  -0.524
  437   1HE2  GLN  62          1HE2      GLN  62  -2.643   8.598  -2.487
  438   2HE2  GLN  62          2HE2      GLN  62  -1.472   9.153  -1.392
  439    H    LYS  63           H        LYS  63  -5.551   4.257  -1.331
  440    HA   LYS  63           HA       LYS  63  -6.724   2.551   0.835
  441   1HB   LYS  63          2HB       LYS  63  -6.097   1.352  -1.822
  442   2HB   LYS  63          1HB       LYS  63  -7.449   1.039  -0.735
  443   1HG   LYS  63          2HG       LYS  63  -8.559   2.175  -2.420
  444   2HG   LYS  63          1HG       LYS  63  -8.113   3.534  -1.393
  445   1HD   LYS  63          2HD       LYS  63  -7.350   4.296  -3.454
  446   2HD   LYS  63          1HD       LYS  63  -5.896   3.498  -2.853
  447   1HE   LYS  63          2HE       LYS  63  -6.843   1.379  -4.032
  448   2HE   LYS  63          1HE       LYS  63  -7.872   2.514  -4.905
  449   1HZ   LYS  63          1HZ       LYS  63  -5.582   1.898  -5.873
  450   2HZ   LYS  63          2HZ       LYS  63  -4.970   2.985  -4.719
  451   3HZ   LYS  63          3HZ       LYS  63  -6.070   3.522  -5.898
  452    H    ILE  64           H        ILE  64  -5.417   0.929   1.705
  453    HA   ILE  64           HA       ILE  64  -2.685   0.573   0.593
  454    HB   ILE  64           HB       ILE  64  -3.346   1.542   3.381
  455   1HG1  ILE  64          2HG1      ILE  64  -1.341   2.467   1.296
  456   2HG1  ILE  64          1HG1      ILE  64  -2.914   3.211   1.574
  457   1HG2  ILE  64          1HG2      ILE  64  -0.835   1.168   3.772
  458   2HG2  ILE  64          2HG2      ILE  64  -0.882   0.116   2.358
  459   3HG2  ILE  64          3HG2      ILE  64  -1.850  -0.273   3.780
  460   1HD1  ILE  64          1HD1      ILE  64  -1.398   4.533   2.832
  461   2HD1  ILE  64          2HD1      ILE  64  -0.540   3.116   3.438
  462   3HD1  ILE  64          3HD1      ILE  64  -2.164   3.481   4.021
  463    H    LEU  65           H        LEU  65  -2.040  -1.546   0.749
  464    HA   LEU  65           HA       LEU  65  -3.875  -3.414   2.153
  465   1HB   LEU  65          2HB       LEU  65  -3.107  -3.705  -0.295
  466   2HB   LEU  65          1HB       LEU  65  -1.556  -4.195   0.382
  467    HG   LEU  65           HG       LEU  65  -4.194  -5.465   1.177
  468   1HD1  LEU  65          1HD1      LEU  65  -3.118  -5.702  -1.326
  469   2HD1  LEU  65          2HD1      LEU  65  -4.053  -6.965  -0.530
  470   3HD1  LEU  65          3HD1      LEU  65  -2.292  -7.012  -0.483
  471   1HD2  LEU  65          1HD2      LEU  65  -2.395  -7.325   1.754
  472   2HD2  LEU  65          2HD2      LEU  65  -2.686  -5.999   2.873
  473   3HD2  LEU  65          3HD2      LEU  65  -1.292  -5.951   1.796
  474    H    ASN  66           H        ASN  66  -3.313  -4.015   4.180
  475    HA   ASN  66           HA       ASN  66  -0.587  -3.616   5.167
  476   1HB   ASN  66          2HB       ASN  66  -2.623  -3.261   6.590
  477   2HB   ASN  66          1HB       ASN  66  -2.929  -4.997   6.517
  478   1HD2  ASN  66          1HD2      ASN  66  -2.584  -4.349   9.043
  479   2HD2  ASN  66          2HD2      ASN  66  -1.008  -4.619   9.613
  480    H    LYS  67           H        LYS  67   0.925  -5.074   4.493
  481    HA   LYS  67           HA       LYS  67   0.246  -7.781   3.721
  482   1HB   LYS  67          2HB       LYS  67   2.875  -7.979   3.881
  483   2HB   LYS  67          1HB       LYS  67   2.143  -7.009   2.604
  484   1HG   LYS  67          2HG       LYS  67   2.687  -5.638   5.202
  485   2HG   LYS  67          1HG       LYS  67   4.081  -6.038   4.200
  486   1HD   LYS  67          2HD       LYS  67   3.354  -4.693   2.417
  487   2HD   LYS  67          1HD       LYS  67   1.683  -4.681   2.980
  488   1HE   LYS  67          2HE       LYS  67   3.009  -2.527   3.360
  489   2HE   LYS  67          1HE       LYS  67   2.194  -3.194   4.775
  490   1HZ   LYS  67          1HZ       LYS  67   4.833  -2.578   4.612
  491   2HZ   LYS  67          2HZ       LYS  67   4.826  -4.262   4.387
  492   3HZ   LYS  67          3HZ       LYS  67   4.126  -3.586   5.779
  493    H    LYS  68           H        LYS  68   0.542  -6.355   6.735
  494    HA   LYS  68           HA       LYS  68   1.983  -8.260   8.256
  495   1HB   LYS  68          2HB       LYS  68  -0.438  -6.587   8.990
  496   2HB   LYS  68          1HB       LYS  68   0.505  -7.511  10.159
  497   1HG   LYS  68          2HG       LYS  68   1.941  -5.618   8.323
  498   2HG   LYS  68          1HG       LYS  68   1.062  -4.958   9.700
  499   1HD   LYS  68          2HD       LYS  68   2.313  -6.456  11.217
  500   2HD   LYS  68          1HD       LYS  68   3.205  -7.102   9.839
  501   1HE   LYS  68          2HE       LYS  68   4.212  -4.959   9.390
  502   2HE   LYS  68          1HE       LYS  68   3.170  -4.163  10.570
  503   1HZ   LYS  68          1HZ       LYS  68   4.860  -6.388  11.459
  504   2HZ   LYS  68          2HZ       LYS  68   4.328  -5.024  12.318
  505   3HZ   LYS  68          3HZ       LYS  68   5.589  -4.880  11.189
  506    H    THR  69           H        THR  69  -1.511  -8.124   7.538
  507    HA   THR  69           HA       THR  69  -1.602 -11.093   7.910
  508    HB   THR  69           HB       THR  69  -3.984 -10.672   8.786
  509    HG1  THR  69           1HG      THR  69  -3.115  -8.163   8.337
  510   1HG2  THR  69          1HG2      THR  69  -2.152 -11.405  10.239
  511   2HG2  THR  69          2HG2      THR  69  -3.153 -10.221  11.079
  512   3HG2  THR  69          3HG2      THR  69  -1.596  -9.739  10.403
  513    H    CYS  70           H        CYS  70  -1.415  -9.271   5.520
  514    HA   CYS  70           HA       CYS  70  -2.422  -9.041   3.411
  515   1HB   CYS  70          2HB       CYS  70  -3.217 -11.766   4.383
  516   2HB   CYS  70          1HB       CYS  70  -3.935 -11.154   2.892
  517    H    THR  71           H        THR  71  -3.667  -7.223   4.500
  518    HA   THR  71           HA       THR  71  -6.585  -7.757   4.204
  519    HB   THR  71           HB       THR  71  -7.164  -6.802   6.265
  520    HG1  THR  71           1HG      THR  71  -5.656  -5.566   7.461
  521   1HG2  THR  71          1HG2      THR  71  -5.861  -7.962   7.953
  522   2HG2  THR  71          2HG2      THR  71  -4.491  -8.102   6.851
  523   3HG2  THR  71          3HG2      THR  71  -5.978  -8.993   6.527
  524    H    TYR  72           H        TYR  72  -7.778  -5.547   4.159
  525    HA   TYR  72           HA       TYR  72  -6.094  -3.643   2.582
  526   1HB   TYR  72          2HB       TYR  72  -8.617  -4.855   2.036
  527   2HB   TYR  72          1HB       TYR  72  -8.908  -3.131   2.272
  528    HD1  TYR  72           1HD      TYR  72  -7.395  -1.473   1.011
  529    HD2  TYR  72           2HD      TYR  72  -7.661  -5.646   0.025
  530    HE1  TYR  72           1HE      TYR  72  -6.447  -1.004  -1.231
  531    HE2  TYR  72           2HE      TYR  72  -6.713  -5.174  -2.219
  532    HH   TYR  72           HH       TYR  72  -5.949  -3.625  -3.602
  533    H    THR  73           H        THR  73  -6.099  -1.471   3.127
  534    HA   THR  73           HA       THR  73  -7.753  -0.637   5.470
  535    HB   THR  73           HB       THR  73  -5.891   0.321   6.583
  536    HG1  THR  73           1HG      THR  73  -4.498   1.234   5.327
  537   1HG2  THR  73          1HG2      THR  73  -4.755  -2.197   5.349
  538   2HG2  THR  73          2HG2      THR  73  -6.007  -2.211   6.590
  539   3HG2  THR  73          3HG2      THR  73  -4.417  -1.538   6.950
  540    H    VAL  74           H        VAL  74  -7.632   1.848   5.681
  541    HA   VAL  74           HA       VAL  74  -7.210   3.204   3.068
  542    HB   VAL  74           HB       VAL  74  -9.758   3.696   4.598
  543   1HG1  VAL  74          1HG1      VAL  74  -8.904   5.177   2.707
  544   2HG1  VAL  74          2HG1      VAL  74 -10.530   4.533   2.487
  545   3HG1  VAL  74          3HG1      VAL  74  -9.170   3.807   1.629
  546   1HG2  VAL  74          1HG2      VAL  74  -9.222   1.495   2.584
  547   2HG2  VAL  74          2HG2      VAL  74 -10.840   2.053   3.006
  548   3HG2  VAL  74          3HG2      VAL  74  -9.815   1.310   4.233
  549    H    VAL  75           H        VAL  75  -6.069   5.026   3.475
  550    HA   VAL  75           HA       VAL  75  -6.241   6.217   6.216
  551    HB   VAL  75           HB       VAL  75  -4.019   7.171   5.743
  552   1HG1  VAL  75          1HG1      VAL  75  -4.263   4.876   6.722
  553   2HG1  VAL  75          2HG1      VAL  75  -2.765   5.090   5.815
  554   3HG1  VAL  75          3HG1      VAL  75  -4.115   4.210   5.096
  555   1HG2  VAL  75          1HG2      VAL  75  -4.121   7.484   3.359
  556   2HG2  VAL  75          2HG2      VAL  75  -4.418   5.766   3.088
  557   3HG2  VAL  75          3HG2      VAL  75  -2.841   6.307   3.661
  558    H    GLU  76           H        GLU  76  -5.807   8.660   6.186
  559    HA   GLU  76           HA       GLU  76  -7.398   9.876   3.963
  560   1HB   GLU  76          2HB       GLU  76  -6.904  11.287   6.561
  561   2HB   GLU  76          1HB       GLU  76  -8.301  11.376   5.489
  562   1HG   GLU  76          2HG       GLU  76  -8.753   8.935   6.114
  563   2HG   GLU  76          1HG       GLU  76  -7.572   9.155   7.404
  564    H    LYS  77           H        LYS  77  -6.533  11.617   2.852
  565    HA   LYS  77           HA       LYS  77  -3.713  11.906   2.704
  566   1HB   LYS  77          2HB       LYS  77  -6.078  13.383   1.656
  567   2HB   LYS  77          1HB       LYS  77  -4.550  14.259   1.659
  568   1HG   LYS  77          2HG       LYS  77  -4.634  11.447   0.594
  569   2HG   LYS  77          1HG       LYS  77  -5.201  12.775  -0.419
  570   1HD   LYS  77          2HD       LYS  77  -3.020  13.941  -0.031
  571   2HD   LYS  77          1HD       LYS  77  -2.458  12.521   0.850
  572   1HE   LYS  77          2HE       LYS  77  -2.541  11.152  -1.088
  573   2HE   LYS  77          1HE       LYS  77  -3.517  12.325  -1.972
  574   1HZ   LYS  77          1HZ       LYS  77  -1.549  13.872  -1.680
  575   2HZ   LYS  77          2HZ       LYS  77  -1.361  12.594  -2.784
  576   3HZ   LYS  77          3HZ       LYS  77  -0.658  12.497  -1.240
  577    H    LYS  78           H        LYS  78  -6.030  13.363   4.856
  578    HA   LYS  78           HA       LYS  78  -3.870  15.152   5.916
  579   1HB   LYS  78          2HB       LYS  78  -6.689  15.645   5.266
  580   2HB   LYS  78          1HB       LYS  78  -6.287  16.129   6.911
  581   1HG   LYS  78          2HG       LYS  78  -5.876  18.026   5.482
  582   2HG   LYS  78          1HG       LYS  78  -4.308  17.388   5.971
  583   1HD   LYS  78          2HD       LYS  78  -4.237  17.842   3.589
  584   2HD   LYS  78          1HD       LYS  78  -4.226  16.095   3.822
  585   1HE   LYS  78          2HE       LYS  78  -6.901  17.385   3.537
  586   2HE   LYS  78          1HE       LYS  78  -5.898  17.302   2.089
  587   1HZ   LYS  78          1HZ       LYS  78  -5.834  14.853   3.528
  588   2HZ   LYS  78          2HZ       LYS  78  -6.272  15.142   1.912
  589   3HZ   LYS  78          3HZ       LYS  78  -7.430  15.284   3.146
  590    H    ASP  79           H        ASP  79  -4.880  12.256   6.580
  591    HA   ASP  79           HA       ASP  79  -4.613  12.634   9.482
  592   1HB   ASP  79          2HB       ASP  79  -7.166  12.641   8.494
  593   2HB   ASP  79          1HB       ASP  79  -6.942  10.926   8.820
  594    HA   PRO  80           HA       PRO  80  -2.730   8.797   7.556
  595   1HB   PRO  80          2HB       PRO  80  -0.359   9.395   9.080
  596   2HB   PRO  80          1HB       PRO  80  -0.569   9.427   7.327
  597   1HG   PRO  80          2HG       PRO  80  -0.238  11.658   9.067
  598   2HG   PRO  80          1HG       PRO  80  -0.552  11.686   7.330
  599   1HD   PRO  80          2HD       PRO  80  -2.365  12.358   9.506
  600   2HD   PRO  80          1HD       PRO  80  -2.627  12.529   7.753
  601    H    GLY  81           H        GLY  81  -3.111  10.028  10.798
  602   1HA   GLY  81          2HA       GLY  81  -2.531   7.366  11.986
  603   2HA   GLY  81          1HA       GLY  81  -2.794   8.858  12.888
  604    H    LYS  82           H        LYS  82  -5.030   8.339  10.344
  605    HA   LYS  82           HA       LYS  82  -6.985   7.032  12.174
  606   1HB   LYS  82          2HB       LYS  82  -7.384   9.668  10.737
  607   2HB   LYS  82          1HB       LYS  82  -8.700   8.732  11.441
  608   1HG   LYS  82          2HG       LYS  82  -7.393   8.790  13.635
  609   2HG   LYS  82          1HG       LYS  82  -6.354   9.993  12.874
  610   1HD   LYS  82          2HD       LYS  82  -7.888  11.446  13.777
  611   2HD   LYS  82          1HD       LYS  82  -8.758  11.079  12.289
  612   1HE   LYS  82          2HE       LYS  82  -9.133   9.621  14.925
  613   2HE   LYS  82          1HE       LYS  82 -10.210  10.867  14.295
  614   1HZ   LYS  82          1HZ       LYS  82  -9.618   8.232  13.070
  615   2HZ   LYS  82          2HZ       LYS  82 -10.503   9.459  12.298
  616   3HZ   LYS  82          3HZ       LYS  82 -11.095   8.747  13.723
  617    H    THR  83           H        THR  83  -8.439   5.705  11.087
  618    HA   THR  83           HA       THR  83  -7.815   5.111   8.288
  619    HB   THR  83           HB       THR  83  -9.494   3.316   8.549
  620    HG1  THR  83           1HG      THR  83  -9.825   4.054  11.226
  621   1HG2  THR  83          1HG2      THR  83  -7.214   2.904   9.349
  622   2HG2  THR  83          2HG2      THR  83  -8.380   2.100  10.401
  623   3HG2  THR  83          3HG2      THR  83  -7.621   3.608  10.915
  624    H    CYS  84           H        CYS  84  -9.313   5.325   6.535
  625    HA   CYS  84           HA       CYS  84 -11.105   7.630   6.804
  626   1HB   CYS  84          2HB       CYS  84  -9.612   7.051   4.773
  627   2HB   CYS  84          1HB       CYS  84 -10.853   5.866   4.366
  628    H    ASP  85           H        ASP  85 -13.175   6.934   5.049
  629    HA   ASP  85           HA       ASP  85 -14.776   5.188   6.814
  630   1HB   ASP  85          2HB       ASP  85 -15.634   7.397   5.929
  631   2HB   ASP  85          1HB       ASP  85 -15.660   6.669   4.323
  632    H    VAL  86           H        VAL  86 -15.731   3.249   6.119
  633    HA   VAL  86           HA       VAL  86 -14.917   2.246   3.421
  634    HB   VAL  86           HB       VAL  86 -14.963   0.565   5.938
  635   1HG1  VAL  86          1HG1      VAL  86 -14.045   0.138   3.088
  636   2HG1  VAL  86          2HG1      VAL  86 -15.221  -0.804   4.003
  637   3HG1  VAL  86          3HG1      VAL  86 -13.509  -0.897   4.411
  638   1HG2  VAL  86          1HG2      VAL  86 -12.455   0.675   5.752
  639   2HG2  VAL  86          2HG2      VAL  86 -13.201   2.210   6.198
  640   3HG2  VAL  86          3HG2      VAL  86 -12.651   1.944   4.544
  641    H    THR  87           H        THR  87 -16.296   0.278   2.815
  642    HA   THR  87           HA       THR  87 -18.985   0.332   4.087
  643    HB   THR  87           HB       THR  87 -18.480   0.652   1.114
  644    HG1  THR  87           1HG      THR  87 -20.030   2.477   2.401
  645   1HG2  THR  87          1HG2      THR  87 -20.428  -0.709   1.418
  646   2HG2  THR  87          2HG2      THR  87 -21.006   0.927   1.100
  647   3HG2  THR  87          3HG2      THR  87 -21.001   0.300   2.748
  648    H    GLY  88           H        GLY  88 -16.676  -1.243   1.933
  649   1HA   GLY  88          2HA       GLY  88 -17.232  -3.851   2.909
  650   2HA   GLY  88          1HA       GLY  88 -18.170  -3.621   1.433
  651    H    TRP  89           H        TRP  89 -16.787  -5.336   0.521
  652    HA   TRP  89           HA       TRP  89 -14.316  -4.174  -0.652
  653   1HB   TRP  89          2HB       TRP  89 -14.323  -6.993   0.433
  654   2HB   TRP  89          1HB       TRP  89 -12.941  -6.011  -0.055
  655    HD1  TRP  89           HD       TRP  89 -12.835  -3.566   1.475
  656    HE1  TRP  89           1HE      TRP  89 -12.958  -3.396   4.044
  657    HE3  TRP  89           3HE      TRP  89 -15.060  -8.035   2.548
  658    HZ2  TRP  89           2HZ      TRP  89 -13.880  -4.952   6.262
  659    HZ3  TRP  89           3HZ      TRP  89 -15.549  -8.664   4.893
  660    HH2  TRP  89           HH       TRP  89 -14.963  -7.130   6.751
  661    H    VAL  90           H        VAL  90 -14.391  -4.498  -2.817
  662    HA   VAL  90           HA       VAL  90 -16.037  -6.784  -3.841
  663    HB   VAL  90           HB       VAL  90 -15.440  -4.203  -5.301
  664   1HG1  VAL  90          1HG1      VAL  90 -17.350  -4.938  -6.689
  665   2HG1  VAL  90          2HG1      VAL  90 -17.499  -6.394  -5.706
  666   3HG1  VAL  90          3HG1      VAL  90 -16.060  -6.140  -6.694
  667   1HG2  VAL  90          1HG2      VAL  90 -17.868  -4.976  -3.651
  668   2HG2  VAL  90          2HG2      VAL  90 -17.762  -3.551  -4.685
  669   3HG2  VAL  90          3HG2      VAL  90 -16.722  -3.692  -3.269
  670    H    LEU  91           H        LEU  91 -15.128  -8.054  -5.475
  671    HA   LEU  91           HA       LEU  91 -12.223  -8.053  -5.620
  672   1HB   LEU  91          2HB       LEU  91 -14.389  -9.691  -6.947
  673   2HB   LEU  91          1HB       LEU  91 -12.684  -9.912  -7.334
  674    HG   LEU  91           HG       LEU  91 -12.208 -10.316  -4.930
  675   1HD1  LEU  91          1HD1      LEU  91 -13.885  -9.159  -3.750
  676   2HD1  LEU  91          2HD1      LEU  91 -14.357 -10.845  -3.553
  677   3HD1  LEU  91          3HD1      LEU  91 -15.179  -9.833  -4.740
  678   1HD2  LEU  91          1HD2      LEU  91 -14.373 -12.044  -6.170
  679   2HD2  LEU  91          2HD2      LEU  91 -13.377 -12.528  -4.798
  680   3HD2  LEU  91          3HD2      LEU  91 -12.632 -12.240  -6.371
  Start of MODEL    3
    1   1H    GLN   1          1HT       GLN   1  -1.860  -3.994 -15.911
    2   2H    GLN   1          2HT       GLN   1  -1.814  -2.992 -14.540
    3   3H    GLN   1          3HT       GLN   1  -2.848  -4.340 -14.578
    4    HA   GLN   1           HA       GLN   1  -1.277  -5.685 -13.823
    5   1HB   GLN   1          2HB       GLN   1   0.007  -4.596 -16.258
    6   2HB   GLN   1          1HB       GLN   1   1.137  -5.211 -15.054
    7   1HG   GLN   1          2HG       GLN   1   0.465  -6.989 -16.633
    8   2HG   GLN   1          1HG       GLN   1  -0.078  -7.354 -14.994
    9   1HE2  GLN   1          1HE2      GLN   1  -1.629  -8.745 -16.517
   10   2HE2  GLN   1          2HE2      GLN   1  -3.092  -7.992 -16.934
   11    H    CYS   2           H        CYS   2  -1.055  -4.864 -11.746
   12    HA   CYS   2           HA       CYS   2  -0.031  -3.746  -9.954
   13   1HB   CYS   2          2HB       CYS   2   1.988  -4.811 -11.201
   14   2HB   CYS   2          1HB       CYS   2   2.296  -3.176 -11.787
   15    H    TYR   3           H        TYR   3   1.116  -1.523  -9.455
   16    HA   TYR   3           HA       TYR   3   0.169   0.576 -11.352
   17   1HB   TYR   3          2HB       TYR   3  -1.537   0.148  -9.524
   18   2HB   TYR   3          1HB       TYR   3  -0.325   0.692  -8.366
   19    HD1  TYR   3           1HD      TYR   3  -1.791   1.789 -11.650
   20    HD2  TYR   3           2HD      TYR   3  -0.365   2.942  -7.765
   21    HE1  TYR   3           1HE      TYR   3  -2.397   4.145 -12.126
   22    HE2  TYR   3           2HE      TYR   3  -0.969   5.298  -8.243
   23    HH   TYR   3           HH       TYR   3  -3.011   6.269 -10.401
   24    H    PHE   4           H        PHE   4   1.376   2.521 -11.237
   25    HA   PHE   4           HA       PHE   4   3.926   2.306  -9.680
   26   1HB   PHE   4          2HB       PHE   4   3.223   3.433 -12.367
   27   2HB   PHE   4          1HB       PHE   4   4.533   4.193 -11.465
   28    HD1  PHE   4           1HD      PHE   4   3.353   1.008 -12.959
   29    HD2  PHE   4           2HD      PHE   4   6.642   3.093 -11.149
   30    HE1  PHE   4           1HE      PHE   4   4.887  -0.818 -13.642
   31    HE2  PHE   4           2HE      PHE   4   8.176   1.267 -11.830
   32    HZ   PHE   4           HZ       PHE   4   7.298  -0.689 -13.076
   33    H    ILE   5           H        ILE   5   4.588   4.072  -8.433
   34    HA   ILE   5           HA       ILE   5   2.780   6.436  -8.319
   35    HB   ILE   5           HB       ILE   5   3.648   4.723  -5.983
   36   1HG1  ILE   5          2HG1      ILE   5   0.885   5.638  -6.826
   37   2HG1  ILE   5          1HG1      ILE   5   1.586   4.101  -7.331
   38   1HG2  ILE   5          1HG2      ILE   5   2.338   6.479  -4.658
   39   2HG2  ILE   5          2HG2      ILE   5   2.474   7.508  -6.084
   40   3HG2  ILE   5          3HG2      ILE   5   3.928   6.973  -5.241
   41   1HD1  ILE   5          1HD1      ILE   5   1.311   4.941  -4.436
   42   2HD1  ILE   5          2HD1      ILE   5   1.773   3.351  -5.046
   43   3HD1  ILE   5          3HD1      ILE   5   0.128   3.943  -5.280
   44    HA   PRO   6           HA       PRO   6   7.031   8.041  -8.566
   45   1HB   PRO   6          2HB       PRO   6   5.979  10.713  -8.330
   46   2HB   PRO   6          1HB       PRO   6   6.618   9.910  -9.767
   47   1HG   PRO   6          2HG       PRO   6   3.888  10.552  -9.186
   48   2HG   PRO   6          1HG       PRO   6   4.529   9.731 -10.611
   49   1HD   PRO   6          2HD       PRO   6   2.985   8.593  -8.452
   50   2HD   PRO   6          1HD       PRO   6   3.619   7.768  -9.899
   51    H    ASN   7           H        ASN   7   8.296   8.044  -6.762
   52    HA   ASN   7           HA       ASN   7   7.491   8.242  -4.111
   53   1HB   ASN   7          2HB       ASN   7   9.782   7.596  -4.894
   54   2HB   ASN   7          1HB       ASN   7  10.118   9.301  -5.195
   55   1HD2  ASN   7          1HD2      ASN   7   9.458   6.932  -2.618
   56   2HD2  ASN   7          2HD2      ASN   7  10.023   7.907  -1.348
   57    H    GLN   8           H        GLN   8   7.392   9.961  -2.578
   58    HA   GLN   8           HA       GLN   8   7.311  12.714  -3.760
   59   1HB   GLN   8          2HB       GLN   8   5.548  11.955  -1.450
   60   2HB   GLN   8          1HB       GLN   8   5.305  13.195  -2.680
   61   1HG   GLN   8          2HG       GLN   8   3.785  11.548  -3.350
   62   2HG   GLN   8          1HG       GLN   8   5.196  11.163  -4.335
   63   1HE2  GLN   8          1HE2      GLN   8   5.506   8.936  -4.359
   64   2HE2  GLN   8          2HE2      GLN   8   5.304   7.906  -3.023
   65    H    SER   9           H        SER   9   8.991  10.780  -1.742
   66    HA   SER   9           HA       SER   9   9.225  12.091   0.724
   67   1HB   SER   9          2HB       SER   9  10.457   9.984  -0.183
   68   2HB   SER   9          1HB       SER   9  11.669  11.126  -0.753
   69    HG   SER   9           HG       SER   9  11.905  10.214   1.455
   70    H    LEU  10           H        LEU  10  11.332  13.423   1.312
   71    HA   LEU  10           HA       LEU  10  11.246  15.829  -0.396
   72   1HB   LEU  10          2HB       LEU  10  12.290  15.201   2.357
   73   2HB   LEU  10          1HB       LEU  10  12.831  16.659   1.524
   74    HG   LEU  10           HG       LEU  10  10.466  17.336   1.207
   75   1HD1  LEU  10          1HD1      LEU  10   9.334  15.226   1.175
   76   2HD1  LEU  10          2HD1      LEU  10   8.768  16.063   2.619
   77   3HD1  LEU  10          3HD1      LEU  10   9.974  14.784   2.758
   78   1HD2  LEU  10          1HD2      LEU  10  11.641  18.187   3.160
   79   2HD2  LEU  10          2HD2      LEU  10  11.308  16.703   4.053
   80   3HD2  LEU  10          3HD2      LEU  10   9.987  17.793   3.629
   81    H    LYS  11           H        LYS  11  13.421  13.191   0.363
   82    HA   LYS  11           HA       LYS  11  15.307  14.277  -1.660
   83   1HB   LYS  11          2HB       LYS  11  17.194  13.426  -0.093
   84   2HB   LYS  11          1HB       LYS  11  16.436  14.968   0.294
   85   1HG   LYS  11          2HG       LYS  11  14.956  13.852   1.911
   86   2HG   LYS  11          1HG       LYS  11  15.685  12.295   1.510
   87   1HD   LYS  11          2HD       LYS  11  17.916  13.260   2.190
   88   2HD   LYS  11          1HD       LYS  11  17.051  14.676   2.787
   89   1HE   LYS  11          2HE       LYS  11  15.829  13.348   4.387
   90   2HE   LYS  11          1HE       LYS  11  16.443  11.849   3.688
   91   1HZ   LYS  11          1HZ       LYS  11  18.249  13.916   4.786
   92   2HZ   LYS  11          2HZ       LYS  11  18.587  12.282   4.463
   93   3HZ   LYS  11          3HZ       LYS  11  17.581  12.704   5.767
   94    HA   PRO  12           HA       PRO  12  15.243  10.161  -3.261
   95   1HB   PRO  12          2HB       PRO  12  18.095   9.996  -3.637
   96   2HB   PRO  12          1HB       PRO  12  16.848  10.322  -4.843
   97   1HG   PRO  12          2HG       PRO  12  18.729  12.173  -3.650
   98   2HG   PRO  12          1HG       PRO  12  17.590  12.457  -4.970
   99   1HD   PRO  12          2HD       PRO  12  17.415  13.500  -2.336
  100   2HD   PRO  12          1HD       PRO  12  16.148  13.560  -3.586
  101    H    ASN  13           H        ASN  13  17.031   8.104  -3.063
  102    HA   ASN  13           HA       ASN  13  17.642   6.371  -1.611
  103   1HB   ASN  13          2HB       ASN  13  19.336   8.331  -1.120
  104   2HB   ASN  13          1HB       ASN  13  18.468   8.439   0.411
  105   1HD2  ASN  13          1HD2      ASN  13  17.895   5.671   0.830
  106   2HD2  ASN  13          2HD2      ASN  13  19.359   4.844   1.062
  107    H    GLU  14           H        GLU  14  14.931   7.201  -1.458
  108    HA   GLU  14           HA       GLU  14  14.323   6.320   1.301
  109   1HB   GLU  14          2HB       GLU  14  13.420   8.927   0.077
  110   2HB   GLU  14          1HB       GLU  14  12.491   8.140   1.353
  111   1HG   GLU  14          2HG       GLU  14  14.480   8.129   2.802
  112   2HG   GLU  14          1HG       GLU  14  15.410   8.921   1.531
  113    H    CYS  15           H        CYS  15  11.823   6.028   1.449
  114    HA   CYS  15           HA       CYS  15  10.558   5.359  -1.132
  115   1HB   CYS  15          2HB       CYS  15  11.542   3.324   0.836
  116   2HB   CYS  15          1HB       CYS  15  10.020   3.011   0.000
  117    H    GLN  16           H        GLN  16   9.280   7.185  -0.135
  118    HA   GLN  16           HA       GLN  16   7.507   6.309   2.093
  119   1HB   GLN  16          2HB       GLN  16   8.700   8.580   2.088
  120   2HB   GLN  16          1HB       GLN  16   7.584   9.042   0.802
  121   1HG   GLN  16          2HG       GLN  16   5.694   8.326   2.349
  122   2HG   GLN  16          1HG       GLN  16   6.901   8.215   3.631
  123   1HE2  GLN  16          1HE2      GLN  16   8.496  10.510   2.637
  124   2HE2  GLN  16          2HE2      GLN  16   7.587  11.903   2.978
  125    H    ASP  17           H        ASP  17   5.228   6.297   1.831
  126    HA   ASP  17           HA       ASP  17   4.103   6.915  -0.828
  127   1HB   ASP  17          2HB       ASP  17   4.969   4.451  -0.725
  128   2HB   ASP  17          1HB       ASP  17   3.577   4.173   0.322
  129    H    LEU  18           H        LEU  18   1.810   7.231  -0.710
  130    HA   LEU  18           HA       LEU  18  -0.115   7.981   0.423
  131   1HB   LEU  18          2HB       LEU  18   0.652   5.490   1.969
  132   2HB   LEU  18          1HB       LEU  18  -0.826   6.390   2.301
  133    HG   LEU  18           HG       LEU  18  -1.428   6.143  -0.138
  134   1HD1  LEU  18          1HD1      LEU  18  -0.205   4.106  -1.199
  135   2HD1  LEU  18          2HD1      LEU  18   1.071   4.457  -0.034
  136   3HD1  LEU  18          3HD1      LEU  18   0.608   5.670  -1.227
  137   1HD2  LEU  18          1HD2      LEU  18  -2.283   4.660   1.721
  138   2HD2  LEU  18          2HD2      LEU  18  -1.008   3.514   1.310
  139   3HD2  LEU  18          3HD2      LEU  18  -2.265   3.892   0.134
  140    H    LYS  19           H        LYS  19  -0.547   7.691   3.334
  141    HA   LYS  19           HA       LYS  19   1.472   9.695   4.276
  142   1HB   LYS  19          2HB       LYS  19  -1.348   9.875   4.138
  143   2HB   LYS  19          1HB       LYS  19  -0.975   9.656   5.846
  144   1HG   LYS  19          2HG       LYS  19  -0.901  12.009   5.476
  145   2HG   LYS  19          1HG       LYS  19   0.783  11.493   5.553
  146   1HD   LYS  19          2HD       LYS  19   0.436  11.205   2.915
  147   2HD   LYS  19          1HD       LYS  19  -0.813  12.417   3.195
  148   1HE   LYS  19          2HE       LYS  19   2.130  12.647   3.874
  149   2HE   LYS  19          1HE       LYS  19   1.237  13.583   2.674
  150   1HZ   LYS  19          1HZ       LYS  19   1.287  13.843   5.570
  151   2HZ   LYS  19          2HZ       LYS  19  -0.222  14.072   4.824
  152   3HZ   LYS  19          3HZ       LYS  19   1.104  15.034   4.377
  153    H    GLY  20           H        GLY  20   1.139   6.579   4.460
  154   1HA   GLY  20          2HA       GLY  20   1.610   6.444   7.418
  155   2HA   GLY  20          1HA       GLY  20   0.777   5.167   6.536
  156    H    VAL  21           H        VAL  21   2.532   5.229   4.219
  157    HA   VAL  21           HA       VAL  21   4.636   3.511   5.252
  158    HB   VAL  21           HB       VAL  21   4.361   4.637   2.457
  159   1HG1  VAL  21          1HG1      VAL  21   5.629   2.093   3.519
  160   2HG1  VAL  21          2HG1      VAL  21   6.513   3.530   3.006
  161   3HG1  VAL  21          3HG1      VAL  21   5.584   2.601   1.830
  162   1HG2  VAL  21          1HG2      VAL  21   2.254   3.573   3.153
  163   2HG2  VAL  21          2HG2      VAL  21   3.140   2.144   3.686
  164   3HG2  VAL  21          3HG2      VAL  21   3.087   2.562   1.973
  165    H    SER  22           H        SER  22   6.846   3.967   5.411
  166    HA   SER  22           HA       SER  22   8.109   6.304   4.344
  167   1HB   SER  22          2HB       SER  22   6.851   7.618   5.895
  168   2HB   SER  22          1HB       SER  22   7.117   6.462   7.197
  169    HG   SER  22           HG       SER  22   8.561   8.564   6.617
  170    H    HIS  23           H        HIS  23   9.838   4.890   3.924
  171    HA   HIS  23           HA       HIS  23  11.503   4.238   6.271
  172   1HB   HIS  23          2HB       HIS  23  10.188   2.211   4.503
  173   2HB   HIS  23          1HB       HIS  23  11.827   1.879   5.060
  174    HD1  HIS  23           1HD      HIS  23  12.093   1.066   7.426
  175    HD2  HIS  23           2HD      HIS  23   8.297   2.642   6.731
  176    HE1  HIS  23           1HE      HIS  23  10.728   0.586   9.505
  177    HA   PRO  24           HA       PRO  24  14.690   5.568   3.487
  178   1HB   PRO  24          2HB       PRO  24  16.595   3.617   4.416
  179   2HB   PRO  24          1HB       PRO  24  16.488   5.327   4.841
  180   1HG   PRO  24          2HG       PRO  24  15.794   3.032   6.452
  181   2HG   PRO  24          1HG       PRO  24  15.799   4.737   6.913
  182   1HD   PRO  24          2HD       PRO  24  13.512   3.078   6.514
  183   2HD   PRO  24          1HD       PRO  24  13.526   4.837   6.791
  184    H    LEU  25           H        LEU  25  15.884   4.840   1.587
  185    HA   LEU  25           HA       LEU  25  14.619   2.785   0.083
  186   1HB   LEU  25          2HB       LEU  25  15.881   4.638  -0.957
  187   2HB   LEU  25          1HB       LEU  25  17.379   3.998  -0.283
  188    HG   LEU  25           HG       LEU  25  17.064   1.909  -1.572
  189   1HD1  LEU  25          1HD1      LEU  25  14.504   3.296  -2.318
  190   2HD1  LEU  25          2HD1      LEU  25  14.771   1.607  -1.885
  191   3HD1  LEU  25          3HD1      LEU  25  15.256   2.196  -3.473
  192   1HD2  LEU  25          1HD2      LEU  25  18.391   3.624  -2.624
  193   2HD2  LEU  25          2HD2      LEU  25  16.949   4.507  -3.126
  194   3HD2  LEU  25          3HD2      LEU  25  17.332   2.952  -3.865
  195    H    ASN  26           H        ASN  26  15.515   0.683  -0.560
  196    HA   ASN  26           HA       ASN  26  17.845  -0.372   0.784
  197   1HB   ASN  26          2HB       ASN  26  15.347  -0.499   2.169
  198   2HB   ASN  26          1HB       ASN  26  15.759  -2.137   1.664
  199   1HD2  ASN  26          1HD2      ASN  26  17.738   0.662   2.820
  200   2HD2  ASN  26          2HD2      ASN  26  18.546  -0.224   4.021
  201    H    SER  27           H        SER  27  14.769  -1.901  -0.210
  202    HA   SER  27           HA       SER  27  15.847  -2.782  -2.758
  203   1HB   SER  27          2HB       SER  27  15.612  -4.809  -0.516
  204   2HB   SER  27          1HB       SER  27  15.885  -5.205  -2.209
  205    HG   SER  27           HG       SER  27  17.745  -3.676  -1.963
  206    H    VAL  28           H        VAL  28  14.265  -5.164  -2.920
  207    HA   VAL  28           HA       VAL  28  11.539  -3.961  -2.880
  208    HB   VAL  28           HB       VAL  28  11.050  -5.586  -4.656
  209   1HG1  VAL  28          1HG1      VAL  28  12.136  -3.339  -5.145
  210   2HG1  VAL  28          2HG1      VAL  28  12.353  -4.566  -6.394
  211   3HG1  VAL  28          3HG1      VAL  28  13.667  -4.206  -5.274
  212   1HG2  VAL  28          1HG2      VAL  28  12.453  -7.433  -4.019
  213   2HG2  VAL  28          2HG2      VAL  28  13.905  -6.440  -4.145
  214   3HG2  VAL  28          3HG2      VAL  28  13.012  -6.886  -5.599
  215    H    TRP  29           H        TRP  29   9.767  -5.387  -2.226
  216    HA   TRP  29           HA       TRP  29  10.509  -7.916  -0.886
  217   1HB   TRP  29          2HB       TRP  29   9.217  -7.114   1.188
  218   2HB   TRP  29          1HB       TRP  29  10.835  -6.454   0.958
  219    HD1  TRP  29           HD       TRP  29   7.139  -5.522   0.461
  220    HE1  TRP  29           1HE      TRP  29   6.942  -2.952   0.440
  221    HE3  TRP  29           3HE      TRP  29  12.084  -4.257   0.631
  222    HZ2  TRP  29           2HZ      TRP  29   8.657  -0.661   0.489
  223    HZ3  TRP  29           3HZ      TRP  29  12.773  -1.876   0.643
  224    HH2  TRP  29           HH       TRP  29  11.067  -0.079   0.572
  225    H    LYS  30           H        LYS  30   8.805  -9.365  -0.829
  226    HA   LYS  30           HA       LYS  30   6.213  -8.407  -1.980
  227   1HB   LYS  30          2HB       LYS  30   5.911 -10.767  -2.730
  228   2HB   LYS  30          1HB       LYS  30   7.311  -9.987  -3.463
  229   1HG   LYS  30          2HG       LYS  30   8.777 -11.403  -2.452
  230   2HG   LYS  30          1HG       LYS  30   7.925 -11.333  -0.911
  231   1HD   LYS  30          2HD       LYS  30   6.333 -12.973  -1.607
  232   2HD   LYS  30          1HD       LYS  30   6.867 -12.875  -3.285
  233   1HE   LYS  30          2HE       LYS  30   9.075 -13.775  -2.636
  234   2HE   LYS  30          1HE       LYS  30   8.533 -13.889  -0.961
  235   1HZ   LYS  30          1HZ       LYS  30   6.577 -15.175  -2.280
  236   2HZ   LYS  30          2HZ       LYS  30   7.910 -15.938  -1.551
  237   3HZ   LYS  30          3HZ       LYS  30   7.930 -15.589  -3.214
  238    H    THR  31           H        THR  31   4.329  -9.877  -1.240
  239    HA   THR  31           HA       THR  31   4.682 -10.547   1.662
  240    HB   THR  31           HB       THR  31   2.498  -9.674   2.104
  241    HG1  THR  31           1HG      THR  31   1.353 -10.311   0.353
  242   1HG2  THR  31          1HG2      THR  31   4.296  -7.983   1.862
  243   2HG2  THR  31          2HG2      THR  31   2.720  -7.334   1.406
  244   3HG2  THR  31          3HG2      THR  31   3.875  -7.802   0.159
  245    H    LYS  32           H        LYS  32   2.312 -11.778   2.175
  246    HA   LYS  32           HA       LYS  32   2.656 -14.365   0.972
  247   1HB   LYS  32          2HB       LYS  32   0.576 -13.116   2.756
  248   2HB   LYS  32          1HB       LYS  32   0.297 -14.715   2.071
  249   1HG   LYS  32          2HG       LYS  32   2.925 -14.146   3.415
  250   2HG   LYS  32          1HG       LYS  32   1.505 -14.466   4.411
  251   1HD   LYS  32          2HD       LYS  32   1.135 -16.581   3.122
  252   2HD   LYS  32          1HD       LYS  32   2.647 -16.280   2.266
  253   1HE   LYS  32          2HE       LYS  32   3.930 -16.467   4.275
  254   2HE   LYS  32          1HE       LYS  32   2.485 -16.413   5.283
  255   1HZ   LYS  32          1HZ       LYS  32   2.840 -18.539   3.270
  256   2HZ   LYS  32          2HZ       LYS  32   1.869 -18.541   4.664
  257   3HZ   LYS  32          3HZ       LYS  32   3.557 -18.675   4.801
  258    H    ASP  33           H        ASP  33   2.536 -13.160  -1.290
  259    HA   ASP  33           HA       ASP  33   1.362 -12.844  -3.299
  260   1HB   ASP  33          2HB       ASP  33  -0.491 -14.872  -2.007
  261   2HB   ASP  33          1HB       ASP  33  -0.432 -14.478  -3.725
  262    H    CYS  34           H        CYS  34   0.347 -11.622  -0.496
  263    HA   CYS  34           HA       CYS  34  -2.375 -10.825  -1.295
  264   1HB   CYS  34          2HB       CYS  34  -0.636 -10.163   1.097
  265   2HB   CYS  34          1HB       CYS  34  -2.239  -9.470   0.849
  266    H    GLU  35           H        GLU  35   0.881  -9.529  -1.298
  267    HA   GLU  35           HA       GLU  35   0.009  -7.317  -3.016
  268   1HB   GLU  35          2HB       GLU  35  -0.461  -6.296  -0.879
  269   2HB   GLU  35          1HB       GLU  35   1.085  -6.828  -0.222
  270   1HG   GLU  35          2HG       GLU  35   2.309  -5.316  -1.581
  271   2HG   GLU  35          1HG       GLU  35   0.926  -5.020  -2.635
  272    H    GLU  36           H        GLU  36   1.984  -6.008  -3.701
  273    HA   GLU  36           HA       GLU  36   4.586  -7.347  -3.260
  274   1HB   GLU  36          2HB       GLU  36   3.395  -8.454  -5.238
  275   2HB   GLU  36          1HB       GLU  36   3.567  -6.912  -6.075
  276   1HG   GLU  36          2HG       GLU  36   6.012  -7.005  -5.752
  277   2HG   GLU  36          1HG       GLU  36   5.842  -8.552  -4.921
  278    H    CYS  37           H        CYS  37   5.540  -5.477  -2.466
  279    HA   CYS  37           HA       CYS  37   5.312  -3.007  -4.127
  280   1HB   CYS  37          2HB       CYS  37   5.682  -3.508  -1.208
  281   2HB   CYS  37          1HB       CYS  37   6.416  -2.059  -1.896
  282    H    THR  38           H        THR  38   7.105  -2.130  -5.041
  283    HA   THR  38           HA       THR  38   9.768  -3.291  -4.336
  284    HB   THR  38           HB       THR  38  10.366  -3.373  -6.666
  285    HG1  THR  38           1HG      THR  38   7.796  -2.333  -7.227
  286   1HG2  THR  38          1HG2      THR  38   8.670  -4.946  -7.568
  287   2HG2  THR  38          2HG2      THR  38   7.573  -4.477  -6.269
  288   3HG2  THR  38          3HG2      THR  38   9.084  -5.306  -5.892
  289    H    CYS  39           H        CYS  39  11.494  -1.779  -4.447
  290    HA   CYS  39           HA       CYS  39  10.615   1.074  -4.690
  291   1HB   CYS  39          2HB       CYS  39  12.532  -0.354  -2.908
  292   2HB   CYS  39          1HB       CYS  39  12.988   1.270  -3.421
  293    H    GLY  40           H        GLY  40  11.080   1.662  -6.779
  294   1HA   GLY  40          2HA       GLY  40  13.575   0.717  -8.053
  295   2HA   GLY  40          1HA       GLY  40  12.302   1.652  -8.839
  296    H    GLN  41           H        GLN  41  14.397   2.832  -9.551
  297    HA   GLN  41           HA       GLN  41  16.007   4.364  -7.856
  298   1HB   GLN  41          2HB       GLN  41  14.923   4.893 -10.622
  299   2HB   GLN  41          1HB       GLN  41  15.968   6.065  -9.821
  300   1HG   GLN  41          2HG       GLN  41  17.165   4.383 -11.308
  301   2HG   GLN  41          1HG       GLN  41  17.761   4.483  -9.651
  302   1HE2  GLN  41          1HE2      GLN  41  17.545   2.617  -8.312
  303   2HE2  GLN  41          2HE2      GLN  41  16.867   1.158  -8.855
  304    H    ASP  42           H        ASP  42  13.675   6.237  -9.701
  305    HA   ASP  42           HA       ASP  42  12.876   7.601  -7.158
  306   1HB   ASP  42          2HB       ASP  42  12.317   9.532  -8.647
  307   2HB   ASP  42          1HB       ASP  42  14.024   9.091  -8.705
  308    H    ALA  43           H        ALA  43  11.613   5.155  -8.186
  309    HA   ALA  43           HA       ALA  43   8.845   6.186  -8.298
  310   1HB   ALA  43          1HB       ALA  43   9.252   6.033 -10.645
  311   2HB   ALA  43          2HB       ALA  43   8.363   4.569 -10.223
  312   3HB   ALA  43          3HB       ALA  43  10.108   4.502 -10.470
  313    H    ILE  44           H        ILE  44   7.441   4.813  -7.253
  314    HA   ILE  44           HA       ILE  44   8.586   2.230  -6.256
  315    HB   ILE  44           HB       ILE  44   6.345   3.931  -5.115
  316   1HG1  ILE  44          2HG1      ILE  44   9.088   3.419  -3.944
  317   2HG1  ILE  44          1HG1      ILE  44   8.750   4.813  -4.970
  318   1HG2  ILE  44          1HG2      ILE  44   6.641   2.376  -3.152
  319   2HG2  ILE  44          2HG2      ILE  44   7.689   1.385  -4.167
  320   3HG2  ILE  44          3HG2      ILE  44   5.991   1.595  -4.593
  321   1HD1  ILE  44          1HD1      ILE  44   8.520   5.200  -2.454
  322   2HD1  ILE  44          2HD1      ILE  44   7.095   4.165  -2.524
  323   3HD1  ILE  44          3HD1      ILE  44   7.135   5.674  -3.436
  324    H    SER  45           H        SER  45   7.649   0.400  -7.038
  325    HA   SER  45           HA       SER  45   5.005   0.660  -8.419
  326   1HB   SER  45          2HB       SER  45   7.041  -0.122  -9.741
  327   2HB   SER  45          1HB       SER  45   7.020  -1.575  -8.746
  328    HG   SER  45           HG       SER  45   4.993  -0.593 -10.472
  329    H    CYS  46           H        CYS  46   3.362  -0.082  -7.179
  330    HA   CYS  46           HA       CYS  46   3.860  -2.500  -5.484
  331   1HB   CYS  46          2HB       CYS  46   2.300   0.009  -4.872
  332   2HB   CYS  46          1HB       CYS  46   2.002  -1.499  -4.008
  333    H    CYS  47           H        CYS  47   2.531  -4.174  -5.914
  334    HA   CYS  47           HA       CYS  47   0.145  -3.651  -7.642
  335   1HB   CYS  47          2HB       CYS  47   1.244  -6.408  -7.268
  336   2HB   CYS  47          1HB       CYS  47   0.528  -5.671  -8.702
  337    H    ASN  48           H        ASN  48  -1.839  -4.694  -7.070
  338    HA   ASN  48           HA       ASN  48  -1.913  -6.037  -4.409
  339   1HB   ASN  48          2HB       ASN  48  -3.904  -3.881  -5.123
  340   2HB   ASN  48          1HB       ASN  48  -3.587  -4.601  -3.544
  341   1HD2  ASN  48          1HD2      ASN  48  -2.034  -2.556  -6.059
  342   2HD2  ASN  48          2HD2      ASN  48  -1.021  -1.729  -4.977
  343    H    THR  49           H        THR  49  -3.161  -7.833  -4.522
  344    HA   THR  49           HA       THR  49  -5.303  -7.949  -6.612
  345    HB   THR  49           HB       THR  49  -3.274 -10.079  -5.877
  346    HG1  THR  49           1HG      THR  49  -2.858  -8.303  -7.453
  347   1HG2  THR  49          1HG2      THR  49  -5.128 -11.410  -6.234
  348   2HG2  THR  49          2HG2      THR  49  -4.595 -11.196  -7.901
  349   3HG2  THR  49          3HG2      THR  49  -5.917 -10.217  -7.268
  350    H    ALA  50           H        ALA  50  -4.845  -7.782  -3.425
  351    HA   ALA  50           HA       ALA  50  -6.645 -10.015  -2.665
  352   1HB   ALA  50          1HB       ALA  50  -4.523  -9.236  -1.354
  353   2HB   ALA  50          2HB       ALA  50  -5.982  -9.639  -0.448
  354   3HB   ALA  50          3HB       ALA  50  -5.573  -7.951  -0.754
  355    H    ALA  51           H        ALA  51  -8.642  -9.296  -3.539
  356    HA   ALA  51           HA       ALA  51 -10.643  -8.070  -3.594
  357   1HB   ALA  51          1HB       ALA  51 -10.910  -8.771  -1.326
  358   2HB   ALA  51          2HB       ALA  51 -11.252  -7.041  -1.337
  359   3HB   ALA  51          3HB       ALA  51  -9.694  -7.628  -0.757
  360    H    ILE  52           H        ILE  52 -11.563  -5.787  -3.329
  361    HA   ILE  52           HA       ILE  52  -9.485  -3.678  -3.384
  362    HB   ILE  52           HB       ILE  52  -9.977  -4.627  -5.714
  363   1HG1  ILE  52          2HG1      ILE  52 -10.315  -2.222  -6.659
  364   2HG1  ILE  52          1HG1      ILE  52 -10.271  -1.715  -4.974
  365   1HG2  ILE  52          1HG2      ILE  52 -12.032  -4.134  -6.761
  366   2HG2  ILE  52          2HG2      ILE  52 -12.491  -2.978  -5.512
  367   3HG2  ILE  52          3HG2      ILE  52 -12.496  -4.707  -5.159
  368   1HD1  ILE  52          1HD1      ILE  52  -8.108  -3.454  -6.175
  369   2HD1  ILE  52          2HD1      ILE  52  -8.046  -2.519  -4.682
  370   3HD1  ILE  52          3HD1      ILE  52  -8.037  -1.695  -6.239
  371    HA   PRO  53           HA       PRO  53 -12.787  -1.882  -0.885
  372   1HB   PRO  53          2HB       PRO  53 -11.670   0.747  -1.247
  373   2HB   PRO  53          1HB       PRO  53 -11.588  -0.293   0.178
  374   1HG   PRO  53          2HG       PRO  53  -9.485   0.340  -1.677
  375   2HG   PRO  53          1HG       PRO  53  -9.396  -0.662  -0.228
  376   1HD   PRO  53          2HD       PRO  53  -9.278  -1.531  -2.956
  377   2HD   PRO  53          1HD       PRO  53  -9.284  -2.549  -1.495
  378    H    THR  54           H        THR  54 -14.787  -1.490  -1.733
  379    HA   THR  54           HA       THR  54 -14.988   0.245  -4.171
  380    HB   THR  54           HB       THR  54 -16.889  -1.027  -4.856
  381    HG1  THR  54           1HG      THR  54 -17.785  -1.216  -2.746
  382   1HG2  THR  54          1HG2      THR  54 -14.557  -2.108  -5.013
  383   2HG2  THR  54          2HG2      THR  54 -15.950  -3.172  -5.201
  384   3HG2  THR  54          3HG2      THR  54 -15.076  -3.127  -3.670
  385    H    GLY  55           H        GLY  55 -17.439   1.102  -4.249
  386   1HA   GLY  55          2HA       GLY  55 -18.865   2.722  -3.316
  387   2HA   GLY  55          1HA       GLY  55 -18.931   1.623  -1.937
  388    H    TYR  56           H        TYR  56 -15.756   2.577  -2.553
  389    HA   TYR  56           HA       TYR  56 -15.801   4.336  -0.179
  390   1HB   TYR  56          2HB       TYR  56 -14.005   2.833  -0.043
  391   2HB   TYR  56          1HB       TYR  56 -13.656   2.944  -1.766
  392    HD1  TYR  56           1HD      TYR  56 -14.209   5.701   0.701
  393    HD2  TYR  56           2HD      TYR  56 -11.415   3.685  -1.866
  394    HE1  TYR  56           1HE      TYR  56 -12.527   7.461   1.150
  395    HE2  TYR  56           2HE      TYR  56  -9.730   5.447  -1.414
  396    HH   TYR  56           HH       TYR  56  -9.649   7.342   0.979
  397    H    ASP  57           H        ASP  57 -16.218   6.459  -0.562
  398    HA   ASP  57           HA       ASP  57 -15.694   7.647  -3.190
  399   1HB   ASP  57          2HB       ASP  57 -16.805   8.730  -0.591
  400   2HB   ASP  57          1HB       ASP  57 -16.530   9.752  -2.002
  401    H    THR  58           H        THR  58 -13.571   8.083  -3.633
  402    HA   THR  58           HA       THR  58 -11.600   8.656  -1.611
  403    HB   THR  58           HB       THR  58 -10.086   9.001  -3.417
  404    HG1  THR  58           1HG      THR  58 -10.675   9.992  -5.169
  405   1HG2  THR  58          1HG2      THR  58 -10.556   7.120  -4.917
  406   2HG2  THR  58          2HG2      THR  58 -12.249   7.130  -4.422
  407   3HG2  THR  58          3HG2      THR  58 -10.992   6.698  -3.261
  408    H    ASN  59           H        ASN  59 -13.116  10.368  -0.591
  409    HA   ASN  59           HA       ASN  59 -13.232  12.952  -1.956
  410   1HB   ASN  59          2HB       ASN  59 -14.915  12.025  -0.230
  411   2HB   ASN  59          1HB       ASN  59 -13.725  12.487   0.987
  412   1HD2  ASN  59          1HD2      ASN  59 -15.850  13.789  -1.564
  413   2HD2  ASN  59          2HD2      ASN  59 -15.800  15.395  -1.017
  414    H    LYS  60           H        LYS  60 -11.396  11.564   0.769
  415    HA   LYS  60           HA       LYS  60  -9.163  13.355   0.197
  416   1HB   LYS  60          2HB       LYS  60 -10.784  14.747   1.580
  417   2HB   LYS  60          1HB       LYS  60 -10.504  13.615   2.902
  418   1HG   LYS  60          2HG       LYS  60  -8.233  14.219   3.106
  419   2HG   LYS  60          1HG       LYS  60  -8.185  14.946   1.502
  420   1HD   LYS  60          2HD       LYS  60 -10.058  16.090   3.554
  421   2HD   LYS  60          1HD       LYS  60  -8.340  16.476   3.658
  422   1HE   LYS  60          2HE       LYS  60 -10.111  16.923   1.236
  423   2HE   LYS  60          1HE       LYS  60  -9.508  18.173   2.322
  424   1HZ   LYS  60          1HZ       LYS  60  -8.147  16.750   0.209
  425   2HZ   LYS  60          2HZ       LYS  60  -7.251  16.893   1.646
  426   3HZ   LYS  60          3HZ       LYS  60  -7.834  18.284   0.862
  427    H    CYS  61           H        CYS  61  -9.204  10.619   0.124
  428    HA   CYS  61           HA       CYS  61  -7.232   9.949   2.173
  429   1HB   CYS  61          2HB       CYS  61  -8.812   7.775   2.590
  430   2HB   CYS  61          1HB       CYS  61  -8.825   9.193   3.633
  431    H    GLN  62           H        GLN  62  -6.603   7.514   1.838
  432    HA   GLN  62           HA       GLN  62  -6.920   6.772  -1.041
  433   1HB   GLN  62          2HB       GLN  62  -4.757   7.972  -0.680
  434   2HB   GLN  62          1HB       GLN  62  -4.307   6.742   0.500
  435   1HG   GLN  62          2HG       GLN  62  -4.147   5.055  -1.125
  436   2HG   GLN  62          1HG       GLN  62  -5.137   5.943  -2.282
  437   1HE2  GLN  62          1HE2      GLN  62  -2.955   8.066  -0.773
  438   2HE2  GLN  62          2HE2      GLN  62  -1.752   8.075  -1.970
  439    H    LYS  63           H        LYS  63  -6.045   4.446  -1.363
  440    HA   LYS  63           HA       LYS  63  -6.936   2.800   0.971
  441   1HB   LYS  63          2HB       LYS  63  -7.207   1.011  -0.859
  442   2HB   LYS  63          1HB       LYS  63  -8.357   2.349  -0.878
  443   1HG   LYS  63          2HG       LYS  63  -7.229   3.432  -2.672
  444   2HG   LYS  63          1HG       LYS  63  -5.802   2.411  -2.491
  445   1HD   LYS  63          2HD       LYS  63  -7.196   0.433  -3.129
  446   2HD   LYS  63          1HD       LYS  63  -8.545   1.528  -3.433
  447   1HE   LYS  63          2HE       LYS  63  -7.398   2.609  -5.220
  448   2HE   LYS  63          1HE       LYS  63  -5.857   1.877  -4.772
  449   1HZ   LYS  63          1HZ       LYS  63  -8.197   0.251  -5.570
  450   2HZ   LYS  63          2HZ       LYS  63  -6.564  -0.215  -5.500
  451   3HZ   LYS  63          3HZ       LYS  63  -7.095   0.853  -6.709
  452    H    ILE  64           H        ILE  64  -5.558   1.271   1.797
  453    HA   ILE  64           HA       ILE  64  -2.962   0.806   0.388
  454    HB   ILE  64           HB       ILE  64  -2.814   2.432   2.345
  455   1HG1  ILE  64          2HG1      ILE  64  -1.310  -0.194   2.593
  456   2HG1  ILE  64          1HG1      ILE  64  -0.873   1.128   1.511
  457   1HG2  ILE  64          1HG2      ILE  64  -3.099   1.630   4.564
  458   2HG2  ILE  64          2HG2      ILE  64  -3.201  -0.047   4.027
  459   3HG2  ILE  64          3HG2      ILE  64  -4.521   1.070   3.686
  460   1HD1  ILE  64          1HD1      ILE  64  -0.967   1.231   4.539
  461   2HD1  ILE  64          2HD1      ILE  64  -0.674   2.628   3.505
  462   3HD1  ILE  64          3HD1      ILE  64   0.477   1.293   3.529
  463    H    LEU  65           H        LEU  65  -1.977  -1.277   0.947
  464    HA   LEU  65           HA       LEU  65  -3.997  -3.254   1.929
  465   1HB   LEU  65          2HB       LEU  65  -3.097  -3.305  -0.530
  466   2HB   LEU  65          1HB       LEU  65  -1.642  -3.983   0.195
  467    HG   LEU  65           HG       LEU  65  -4.390  -5.107   0.765
  468   1HD1  LEU  65          1HD1      LEU  65  -2.558  -5.572  -1.566
  469   2HD1  LEU  65          2HD1      LEU  65  -4.319  -5.483  -1.527
  470   3HD1  LEU  65          3HD1      LEU  65  -3.497  -6.922  -0.928
  471   1HD2  LEU  65          1HD2      LEU  65  -2.833  -5.906   2.353
  472   2HD2  LEU  65          2HD2      LEU  65  -1.535  -6.011   1.164
  473   3HD2  LEU  65          3HD2      LEU  65  -2.859  -7.175   1.130
  474    H    ASN  66           H        ASN  66  -3.472  -3.673   4.028
  475    HA   ASN  66           HA       ASN  66  -0.673  -3.657   4.919
  476   1HB   ASN  66          2HB       ASN  66  -2.542  -2.827   6.363
  477   2HB   ASN  66          1HB       ASN  66  -3.174  -4.472   6.431
  478   1HD2  ASN  66          1HD2      ASN  66   0.216  -4.559   6.255
  479   2HD2  ASN  66          2HD2      ASN  66   0.545  -4.736   7.911
  480    H    LYS  67           H        LYS  67   0.576  -5.469   5.264
  481    HA   LYS  67           HA       LYS  67  -0.509  -8.038   4.274
  482   1HB   LYS  67          2HB       LYS  67   1.827  -8.798   4.352
  483   2HB   LYS  67          1HB       LYS  67   1.713  -7.261   3.498
  484   1HG   LYS  67          2HG       LYS  67   3.360  -6.568   4.908
  485   2HG   LYS  67          1HG       LYS  67   2.074  -6.429   6.105
  486   1HD   LYS  67          2HD       LYS  67   2.511  -8.859   6.700
  487   2HD   LYS  67          1HD       LYS  67   3.944  -8.772   5.677
  488   1HE   LYS  67          2HE       LYS  67   4.594  -8.321   7.980
  489   2HE   LYS  67          1HE       LYS  67   4.743  -6.835   7.043
  490   1HZ   LYS  67          1HZ       LYS  67   2.136  -7.219   8.192
  491   2HZ   LYS  67          2HZ       LYS  67   3.143  -5.851   8.216
  492   3HZ   LYS  67          3HZ       LYS  67   3.365  -7.093   9.353
  493    H    LYS  68           H        LYS  68  -0.170  -6.456   7.239
  494    HA   LYS  68           HA       LYS  68   0.652  -8.493   9.006
  495   1HB   LYS  68          2HB       LYS  68   0.062  -6.033   9.521
  496   2HB   LYS  68          1HB       LYS  68  -1.607  -6.590   9.641
  497   1HG   LYS  68          2HG       LYS  68  -0.912  -6.806  11.852
  498   2HG   LYS  68          1HG       LYS  68  -0.566  -8.421  11.237
  499   1HD   LYS  68          2HD       LYS  68   1.786  -7.529  10.690
  500   2HD   LYS  68          1HD       LYS  68   1.371  -6.147  11.703
  501   1HE   LYS  68          2HE       LYS  68   1.645  -9.041  12.494
  502   2HE   LYS  68          1HE       LYS  68   2.407  -7.624  13.215
  503   1HZ   LYS  68          1HZ       LYS  68   0.252  -6.898  14.009
  504   2HZ   LYS  68          2HZ       LYS  68   0.595  -8.461  14.582
  505   3HZ   LYS  68          3HZ       LYS  68  -0.496  -8.245  13.297
  506    H    THR  69           H        THR  69  -2.595  -7.811   7.705
  507    HA   THR  69           HA       THR  69  -3.354 -10.613   8.437
  508    HB   THR  69           HB       THR  69  -5.729  -9.590   8.716
  509    HG1  THR  69           1HG      THR  69  -4.061  -7.374   8.564
  510   1HG2  THR  69          1HG2      THR  69  -5.149  -8.899  11.102
  511   2HG2  THR  69          2HG2      THR  69  -3.462  -9.183  10.673
  512   3HG2  THR  69          3HG2      THR  69  -4.619 -10.512  10.620
  513    H    CYS  70           H        CYS  70  -2.440  -9.132   5.914
  514    HA   CYS  70           HA       CYS  70  -3.066  -8.998   3.647
  515   1HB   CYS  70          2HB       CYS  70  -4.201 -11.585   4.675
  516   2HB   CYS  70          1HB       CYS  70  -4.538 -11.092   3.016
  517    H    THR  71           H        THR  71  -4.407  -7.044   4.376
  518    HA   THR  71           HA       THR  71  -7.184  -7.439   3.429
  519    HB   THR  71           HB       THR  71  -7.738  -7.661   5.682
  520    HG1  THR  71           1HG      THR  71  -8.934  -5.957   5.778
  521   1HG2  THR  71          1HG2      THR  71  -6.567  -6.356   7.480
  522   2HG2  THR  71          2HG2      THR  71  -5.475  -5.727   6.244
  523   3HG2  THR  71          3HG2      THR  71  -5.506  -7.455   6.598
  524    H    TYR  72           H        TYR  72  -8.289  -5.161   3.408
  525    HA   TYR  72           HA       TYR  72  -6.273  -3.204   2.373
  526   1HB   TYR  72          2HB       TYR  72  -8.805  -4.184   1.351
  527   2HB   TYR  72          1HB       TYR  72  -8.877  -2.436   1.558
  528    HD1  TYR  72           1HD      TYR  72  -6.938  -1.034   0.589
  529    HD2  TYR  72           2HD      TYR  72  -7.671  -5.126  -0.483
  530    HE1  TYR  72           1HE      TYR  72  -5.597  -0.733  -1.476
  531    HE2  TYR  72           2HE      TYR  72  -6.330  -4.828  -2.548
  532    HH   TYR  72           HH       TYR  72  -4.243  -2.336  -3.038
  533    H    THR  73           H        THR  73  -6.311  -1.094   3.169
  534    HA   THR  73           HA       THR  73  -8.420  -0.414   5.169
  535    HB   THR  73           HB       THR  73  -6.947  -0.091   6.884
  536    HG1  THR  73           1HG      THR  73  -5.723   1.537   6.400
  537   1HG2  THR  73          1HG2      THR  73  -5.035  -1.628   5.109
  538   2HG2  THR  73          2HG2      THR  73  -6.384  -2.368   5.972
  539   3HG2  THR  73          3HG2      THR  73  -5.069  -1.611   6.872
  540    H    VAL  74           H        VAL  74  -8.655   1.923   5.452
  541    HA   VAL  74           HA       VAL  74  -7.552   3.479   3.136
  542    HB   VAL  74           HB       VAL  74 -10.122   4.281   4.453
  543   1HG1  VAL  74          1HG1      VAL  74 -10.612   5.161   2.300
  544   2HG1  VAL  74          2HG1      VAL  74  -9.402   4.143   1.520
  545   3HG1  VAL  74          3HG1      VAL  74  -8.898   5.491   2.538
  546   1HG2  VAL  74          1HG2      VAL  74 -10.626   1.976   4.192
  547   2HG2  VAL  74          2HG2      VAL  74  -9.727   1.866   2.679
  548   3HG2  VAL  74          3HG2      VAL  74 -11.264   2.728   2.731
  549    H    VAL  75           H        VAL  75  -6.200   5.061   3.799
  550    HA   VAL  75           HA       VAL  75  -6.491   6.106   6.589
  551    HB   VAL  75           HB       VAL  75  -4.092   6.840   6.262
  552   1HG1  VAL  75          1HG1      VAL  75  -3.177   4.616   6.615
  553   2HG1  VAL  75          2HG1      VAL  75  -4.582   3.875   5.849
  554   3HG1  VAL  75          3HG1      VAL  75  -4.756   4.702   7.397
  555   1HG2  VAL  75          1HG2      VAL  75  -4.117   6.888   3.797
  556   2HG2  VAL  75          2HG2      VAL  75  -4.377   5.143   3.759
  557   3HG2  VAL  75          3HG2      VAL  75  -2.861   5.796   4.384
  558    H    GLU  76           H        GLU  76  -5.799   8.464   6.798
  559    HA   GLU  76           HA       GLU  76  -6.916  10.018   4.497
  560   1HB   GLU  76          2HB       GLU  76  -8.036  10.093   6.821
  561   2HB   GLU  76          1HB       GLU  76  -6.630  11.029   7.326
  562   1HG   GLU  76          2HG       GLU  76  -7.084  12.591   5.390
  563   2HG   GLU  76          1HG       GLU  76  -8.600  11.728   5.135
  564    H    LYS  77           H        LYS  77  -5.669  11.585   3.565
  565    HA   LYS  77           HA       LYS  77  -2.838  11.585   4.002
  566   1HB   LYS  77          2HB       LYS  77  -4.534  13.672   2.600
  567   2HB   LYS  77          1HB       LYS  77  -2.793  13.458   2.417
  568   1HG   LYS  77          2HG       LYS  77  -4.598  11.112   1.895
  569   2HG   LYS  77          1HG       LYS  77  -4.465  12.373   0.670
  570   1HD   LYS  77          2HD       LYS  77  -2.063  12.082   0.540
  571   2HD   LYS  77          1HD       LYS  77  -2.082  10.960   1.899
  572   1HE   LYS  77          2HE       LYS  77  -1.996   9.954  -0.486
  573   2HE   LYS  77          1HE       LYS  77  -3.163   9.274   0.649
  574   1HZ   LYS  77          1HZ       LYS  77  -3.910   9.958  -1.721
  575   2HZ   LYS  77          2HZ       LYS  77  -3.953  11.525  -1.069
  576   3HZ   LYS  77          3HZ       LYS  77  -4.913  10.295  -0.397
  577    H    LYS  78           H        LYS  78  -5.329  13.044   5.769
  578    HA   LYS  78           HA       LYS  78  -3.413  15.050   6.907
  579   1HB   LYS  78          2HB       LYS  78  -5.582  15.850   5.705
  580   2HB   LYS  78          1HB       LYS  78  -6.410  15.267   7.147
  581   1HG   LYS  78          2HG       LYS  78  -5.989  17.458   7.785
  582   2HG   LYS  78          1HG       LYS  78  -4.531  16.678   8.394
  583   1HD   LYS  78          2HD       LYS  78  -3.495  17.216   6.096
  584   2HD   LYS  78          1HD       LYS  78  -4.868  18.298   5.867
  585   1HE   LYS  78          2HE       LYS  78  -4.280  19.482   7.956
  586   2HE   LYS  78          1HE       LYS  78  -2.898  18.408   8.171
  587   1HZ   LYS  78          1HZ       LYS  78  -3.164  19.823   5.623
  588   2HZ   LYS  78          2HZ       LYS  78  -1.763  19.363   6.467
  589   3HZ   LYS  78          3HZ       LYS  78  -2.659  20.714   6.975
  590    H    ASP  79           H        ASP  79  -4.803  12.112   7.534
  591    HA   ASP  79           HA       ASP  79  -4.286  12.397  10.412
  592   1HB   ASP  79          2HB       ASP  79  -6.716  13.106   9.974
  593   2HB   ASP  79          1HB       ASP  79  -7.014  11.415   9.567
  594    HA   PRO  80           HA       PRO  80  -3.389   8.267   8.390
  595   1HB   PRO  80          2HB       PRO  80  -0.835   8.347   9.721
  596   2HB   PRO  80          1HB       PRO  80  -1.167   8.429   7.989
  597   1HG   PRO  80          2HG       PRO  80  -0.235  10.534   9.664
  598   2HG   PRO  80          1HG       PRO  80  -0.685  10.639   7.959
  599   1HD   PRO  80          2HD       PRO  80  -2.129  11.649  10.282
  600   2HD   PRO  80          1HD       PRO  80  -2.487  11.905   8.557
  601    H    GLY  81           H        GLY  81  -4.067   9.443  11.389
  602   1HA   GLY  81          2HA       GLY  81  -3.391   6.937  12.849
  603   2HA   GLY  81          1HA       GLY  81  -3.915   8.446  13.596
  604    H    LYS  82           H        LYS  82  -5.941   8.383  11.151
  605    HA   LYS  82           HA       LYS  82  -7.894   6.513  12.440
  606   1HB   LYS  82          2HB       LYS  82  -8.399   9.324  11.414
  607   2HB   LYS  82          1HB       LYS  82  -9.660   8.205  11.934
  608   1HG   LYS  82          2HG       LYS  82  -8.327   8.042  14.149
  609   2HG   LYS  82          1HG       LYS  82  -7.501   9.500  13.596
  610   1HD   LYS  82          2HD       LYS  82 -10.478   9.158  14.046
  611   2HD   LYS  82          1HD       LYS  82  -9.377  10.175  14.974
  612   1HE   LYS  82          2HE       LYS  82 -10.379  11.709  13.505
  613   2HE   LYS  82          1HE       LYS  82  -8.870  11.313  12.683
  614   1HZ   LYS  82          1HZ       LYS  82  -9.952  10.300  11.031
  615   2HZ   LYS  82          2HZ       LYS  82 -11.329  11.123  11.591
  616   3HZ   LYS  82          3HZ       LYS  82 -11.039   9.520  12.074
  617    H    THR  83           H        THR  83  -9.587   5.768  10.939
  618    HA   THR  83           HA       THR  83  -8.487   5.447   8.212
  619    HB   THR  83           HB       THR  83 -10.142   3.683   7.961
  620    HG1  THR  83           1HG      THR  83 -11.757   3.422   9.391
  621   1HG2  THR  83          1HG2      THR  83  -9.088   3.484  10.786
  622   2HG2  THR  83          2HG2      THR  83  -8.039   3.336   9.376
  623   3HG2  THR  83          3HG2      THR  83  -9.346   2.179   9.627
  624    H    CYS  84           H        CYS  84  -9.966   5.705   6.336
  625    HA   CYS  84           HA       CYS  84 -11.490   8.205   6.574
  626   1HB   CYS  84          2HB       CYS  84  -9.953   7.421   4.604
  627   2HB   CYS  84          1HB       CYS  84 -11.374   6.518   4.083
  628    H    ASP  85           H        ASP  85 -13.508   7.757   4.669
  629    HA   ASP  85           HA       ASP  85 -15.369   6.093   6.279
  630   1HB   ASP  85          2HB       ASP  85 -15.993   8.441   5.669
  631   2HB   ASP  85          1HB       ASP  85 -15.970   7.966   3.970
  632    H    VAL  86           H        VAL  86 -14.821   3.985   5.573
  633    HA   VAL  86           HA       VAL  86 -14.820   3.397   2.683
  634    HB   VAL  86           HB       VAL  86 -13.210   2.144   3.861
  635   1HG1  VAL  86          1HG1      VAL  86 -15.392   1.718   5.905
  636   2HG1  VAL  86          2HG1      VAL  86 -13.848   2.538   6.126
  637   3HG1  VAL  86          3HG1      VAL  86 -13.895   0.787   5.914
  638   1HG2  VAL  86          1HG2      VAL  86 -15.557   0.237   3.821
  639   2HG2  VAL  86          2HG2      VAL  86 -13.854  -0.142   3.574
  640   3HG2  VAL  86          3HG2      VAL  86 -14.736   0.774   2.354
  641    H    THR  87           H        THR  87 -16.205   1.471   1.982
  642    HA   THR  87           HA       THR  87 -18.882   1.549   3.322
  643    HB   THR  87           HB       THR  87 -18.435   1.385   0.333
  644    HG1  THR  87           1HG      THR  87 -18.590   3.500   0.263
  645   1HG2  THR  87          1HG2      THR  87 -20.861   1.795   2.094
  646   2HG2  THR  87          2HG2      THR  87 -20.546   0.443   1.007
  647   3HG2  THR  87          3HG2      THR  87 -20.874   2.045   0.349
  648    H    GLY  88           H        GLY  88 -16.702  -0.265   1.181
  649   1HA   GLY  88          2HA       GLY  88 -17.089  -2.744   2.492
  650   2HA   GLY  88          1HA       GLY  88 -18.234  -2.680   1.151
  651    H    TRP  89           H        TRP  89 -16.674  -4.617   0.637
  652    HA   TRP  89           HA       TRP  89 -14.641  -3.573  -1.278
  653   1HB   TRP  89          2HB       TRP  89 -13.892  -6.110   0.039
  654   2HB   TRP  89          1HB       TRP  89 -12.895  -4.708  -0.345
  655    HD1  TRP  89           HD       TRP  89 -13.000  -2.626   1.391
  656    HE1  TRP  89           1HE      TRP  89 -13.455  -2.598   3.929
  657    HE3  TRP  89           3HE      TRP  89 -15.152  -7.222   1.952
  658    HZ2  TRP  89           2HZ      TRP  89 -14.581  -4.303   5.932
  659    HZ3  TRP  89           3HZ      TRP  89 -15.905  -7.995   4.182
  660    HH2  TRP  89           HH       TRP  89 -15.623  -6.542   6.171
  661    H    VAL  90           H        VAL  90 -14.000  -5.396  -2.843
  662    HA   VAL  90           HA       VAL  90 -16.138  -7.438  -3.162
  663    HB   VAL  90           HB       VAL  90 -15.345  -5.426  -5.283
  664   1HG1  VAL  90          1HG1      VAL  90 -15.610  -7.537  -6.379
  665   2HG1  VAL  90          2HG1      VAL  90 -17.132  -6.676  -6.607
  666   3HG1  VAL  90          3HG1      VAL  90 -17.012  -7.948  -5.391
  667   1HG2  VAL  90          1HG2      VAL  90 -16.976  -4.579  -3.648
  668   2HG2  VAL  90          2HG2      VAL  90 -17.975  -6.012  -3.886
  669   3HG2  VAL  90          3HG2      VAL  90 -17.762  -4.858  -5.202
  670    H    LEU  91           H        LEU  91 -15.257  -9.359  -3.744
  671    HA   LEU  91           HA       LEU  91 -12.403  -9.610  -4.127
  672   1HB   LEU  91          2HB       LEU  91 -14.729 -11.526  -4.341
  673   2HB   LEU  91          1HB       LEU  91 -13.086 -12.026  -4.748
  674    HG   LEU  91           HG       LEU  91 -12.309 -11.409  -2.513
  675   1HD1  LEU  91          1HD1      LEU  91 -14.177 -10.831  -0.818
  676   2HD1  LEU  91          2HD1      LEU  91 -15.145 -10.412  -2.231
  677   3HD1  LEU  91          3HD1      LEU  91 -13.641  -9.551  -1.905
  678   1HD2  LEU  91          1HD2      LEU  91 -13.491 -13.119  -1.232
  679   2HD2  LEU  91          2HD2      LEU  91 -13.305 -13.672  -2.897
  680   3HD2  LEU  91          3HD2      LEU  91 -14.858 -13.046  -2.344
  Start of MODEL    4
    1   1H    GLN   1          1HT       GLN   1  -1.027  -5.350 -13.951
    2   2H    GLN   1          2HT       GLN   1  -2.393  -6.121 -14.606
    3   3H    GLN   1          3HT       GLN   1  -1.411  -6.934 -13.482
    4    HA   GLN   1           HA       GLN   1  -3.309  -4.721 -13.024
    5   1HB   GLN   1          2HB       GLN   1  -3.807  -6.325 -11.047
    6   2HB   GLN   1          1HB       GLN   1  -4.309  -6.831 -12.661
    7   1HG   GLN   1          2HG       GLN   1  -2.456  -8.308 -12.890
    8   2HG   GLN   1          1HG       GLN   1  -1.626  -7.602 -11.503
    9   1HE2  GLN   1          1HE2      GLN   1  -4.941  -7.823 -10.826
   10   2HE2  GLN   1          2HE2      GLN   1  -4.922  -9.284  -9.963
   11    H    CYS   2           H        CYS   2  -1.478  -3.206 -12.630
   12    HA   CYS   2           HA       CYS   2  -0.669  -3.314  -9.800
   13   1HB   CYS   2          2HB       CYS   2   1.116  -4.534 -11.157
   14   2HB   CYS   2          1HB       CYS   2   1.460  -2.983 -11.926
   15    H    TYR   3           H        TYR   3   0.660  -1.220  -9.321
   16    HA   TYR   3           HA       TYR   3  -0.316   1.020 -11.051
   17   1HB   TYR   3          2HB       TYR   3  -1.637   0.603  -8.852
   18   2HB   TYR   3          1HB       TYR   3  -0.202   1.231  -8.042
   19    HD1  TYR   3           1HD      TYR   3  -2.438   2.064 -10.942
   20    HD2  TYR   3           2HD      TYR   3  -0.083   3.533  -7.663
   21    HE1  TYR   3           1HE      TYR   3  -3.171   4.377 -11.452
   22    HE2  TYR   3           2HE      TYR   3  -0.816   5.846  -8.175
   23    HH   TYR   3           HH       TYR   3  -2.425   7.053  -9.313
   24    H    PHE   4           H        PHE   4   1.170   2.675 -11.334
   25    HA   PHE   4           HA       PHE   4   3.846   2.273 -10.053
   26   1HB   PHE   4          2HB       PHE   4   2.983   2.868 -12.781
   27   2HB   PHE   4          1HB       PHE   4   4.148   4.056 -12.199
   28    HD1  PHE   4           1HD      PHE   4   3.619   0.584 -13.197
   29    HD2  PHE   4           2HD      PHE   4   6.390   3.326 -11.395
   30    HE1  PHE   4           1HE      PHE   4   5.457  -1.045 -13.544
   31    HE2  PHE   4           2HE      PHE   4   8.229   1.699 -11.743
   32    HZ   PHE   4           HZ       PHE   4   7.762  -0.487 -12.817
   33    H    ILE   5           H        ILE   5   4.682   3.921  -8.834
   34    HA   ILE   5           HA       ILE   5   3.262   6.551  -8.873
   35    HB   ILE   5           HB       ILE   5   4.232   5.084  -6.410
   36   1HG1  ILE   5          2HG1      ILE   5   1.392   5.682  -7.289
   37   2HG1  ILE   5          1HG1      ILE   5   2.180   4.123  -7.531
   38   1HG2  ILE   5          1HG2      ILE   5   2.774   7.711  -6.817
   39   2HG2  ILE   5          2HG2      ILE   5   4.384   7.488  -6.133
   40   3HG2  ILE   5          3HG2      ILE   5   2.965   6.923  -5.251
   41   1HD1  ILE   5          1HD1      ILE   5   2.485   3.846  -5.135
   42   2HD1  ILE   5          2HD1      ILE   5   0.787   4.209  -5.449
   43   3HD1  ILE   5          3HD1      ILE   5   1.860   5.467  -4.833
   44    HA   PRO   6           HA       PRO   6   7.635   7.587  -9.556
   45   1HB   PRO   6          2HB       PRO   6   6.932  10.378  -9.465
   46   2HB   PRO   6          1HB       PRO   6   7.344   9.401 -10.876
   47   1HG   PRO   6          2HG       PRO   6   4.773  10.425 -10.146
   48   2HG   PRO   6          1HG       PRO   6   5.185   9.423 -11.540
   49   1HD   PRO   6          2HD       PRO   6   3.713   8.660  -9.173
   50   2HD   PRO   6          1HD       PRO   6   4.102   7.657 -10.594
   51    H    ASN   7           H        ASN   7   9.244   8.046  -8.063
   52    HA   ASN   7           HA       ASN   7   8.610   8.343  -5.308
   53   1HB   ASN   7          2HB       ASN   7  10.853   7.646  -6.651
   54   2HB   ASN   7          1HB       ASN   7  11.274   9.307  -6.237
   55   1HD2  ASN   7          1HD2      ASN   7  10.927   9.871  -3.812
   56   2HD2  ASN   7          2HD2      ASN   7  11.275   8.654  -2.682
   57    H    GLN   8           H        GLN   8   7.963  10.137  -4.224
   58    HA   GLN   8           HA       GLN   8   8.330  12.789  -5.530
   59   1HB   GLN   8          2HB       GLN   8   6.672  13.505  -3.710
   60   2HB   GLN   8          1HB       GLN   8   6.048  12.415  -4.949
   61   1HG   GLN   8          2HG       GLN   8   7.211  11.335  -2.384
   62   2HG   GLN   8          1HG       GLN   8   5.529  11.856  -2.466
   63   1HE2  GLN   8          1HE2      GLN   8   6.658   9.056  -2.188
   64   2HE2  GLN   8          2HE2      GLN   8   5.990   8.185  -3.482
   65    H    SER   9           H        SER   9   9.191  10.948  -2.669
   66    HA   SER   9           HA       SER   9  10.479  13.338  -1.456
   67   1HB   SER   9          2HB       SER   9  10.261  10.514  -0.374
   68   2HB   SER   9          1HB       SER   9  10.780  11.943   0.517
   69    HG   SER   9           HG       SER   9   8.235  11.170  -0.346
   70    H    LEU  10           H        LEU  10  12.690  13.589  -1.443
   71    HA   LEU  10           HA       LEU  10  14.272  11.649  -3.016
   72   1HB   LEU  10          2HB       LEU  10  15.299  14.196  -1.759
   73   2HB   LEU  10          1HB       LEU  10  15.922  13.345  -3.173
   74    HG   LEU  10           HG       LEU  10  13.272  14.805  -2.973
   75   1HD1  LEU  10          1HD1      LEU  10  15.712  15.324  -4.699
   76   2HD1  LEU  10          2HD1      LEU  10  15.319  16.218  -3.231
   77   3HD1  LEU  10          3HD1      LEU  10  14.249  16.305  -4.628
   78   1HD2  LEU  10          1HD2      LEU  10  12.881  12.929  -4.385
   79   2HD2  LEU  10          2HD2      LEU  10  14.484  13.042  -5.111
   80   3HD2  LEU  10          3HD2      LEU  10  13.257  14.251  -5.490
   81    H    LYS  11           H        LYS  11  15.164  13.487  -0.109
   82    HA   LYS  11           HA       LYS  11  16.315  12.821   1.815
   83   1HB   LYS  11          2HB       LYS  11  14.418  10.588   1.228
   84   2HB   LYS  11          1HB       LYS  11  15.676  10.277   2.421
   85   1HG   LYS  11          2HG       LYS  11  13.652  11.158   3.508
   86   2HG   LYS  11          1HG       LYS  11  14.985  12.301   3.666
   87   1HD   LYS  11          2HD       LYS  11  14.126  13.643   1.832
   88   2HD   LYS  11          1HD       LYS  11  12.866  12.451   1.503
   89   1HE   LYS  11          2HE       LYS  11  11.909  12.850   3.748
   90   2HE   LYS  11          1HE       LYS  11  13.157  14.057   4.061
   91   1HZ   LYS  11          1HZ       LYS  11  12.345  15.371   2.242
   92   2HZ   LYS  11          2HZ       LYS  11  11.053  15.028   3.290
   93   3HZ   LYS  11          3HZ       LYS  11  11.209  14.183   1.824
   94    HA   PRO  12           HA       PRO  12  20.103  10.957   0.528
   95   1HB   PRO  12          2HB       PRO  12  20.516   9.432   2.938
   96   2HB   PRO  12          1HB       PRO  12  21.259  10.964   2.473
   97   1HG   PRO  12          2HG       PRO  12  19.196  10.491   4.446
   98   2HG   PRO  12          1HG       PRO  12  20.045  11.996   4.080
   99   1HD   PRO  12          2HD       PRO  12  17.325  11.398   3.500
  100   2HD   PRO  12          1HD       PRO  12  18.251  12.806   2.925
  101    H    ASN  13           H        ASN  13  17.623   8.862   1.898
  102    HA   ASN  13           HA       ASN  13  17.697   6.957  -0.175
  103   1HB   ASN  13          2HB       ASN  13  18.770   5.067   1.332
  104   2HB   ASN  13          1HB       ASN  13  19.805   6.117   0.366
  105   1HD2  ASN  13          1HD2      ASN  13  18.173   6.414   3.583
  106   2HD2  ASN  13          2HD2      ASN  13  19.557   6.972   4.392
  107    H    GLU  14           H        GLU  14  15.456   7.632   0.594
  108    HA   GLU  14           HA       GLU  14  14.499   5.680   2.648
  109   1HB   GLU  14          2HB       GLU  14  13.881   8.624   2.407
  110   2HB   GLU  14          1HB       GLU  14  12.763   7.518   3.207
  111   1HG   GLU  14          2HG       GLU  14  14.428   6.877   4.820
  112   2HG   GLU  14          1HG       GLU  14  15.692   7.734   3.936
  113    H    CYS  15           H        CYS  15  11.989   5.546   2.462
  114    HA   CYS  15           HA       CYS  15  11.127   5.776  -0.391
  115   1HB   CYS  15          2HB       CYS  15  11.409   3.325   1.264
  116   2HB   CYS  15          1HB       CYS  15   9.904   3.456   0.357
  117    H    GLN  16           H        GLN  16   9.693   7.469   0.083
  118    HA   GLN  16           HA       GLN  16   7.648   6.981   2.202
  119   1HB   GLN  16          2HB       GLN  16   8.440   9.482   0.681
  120   2HB   GLN  16          1HB       GLN  16   7.088   9.408   1.810
  121   1HG   GLN  16          2HG       GLN  16   8.829  10.182   3.175
  122   2HG   GLN  16          1HG       GLN  16   8.862   8.447   3.481
  123   1HE2  GLN  16          1HE2      GLN  16  11.224   9.845   3.934
  124   2HE2  GLN  16          2HE2      GLN  16  12.357   9.494   2.721
  125    H    ASP  17           H        ASP  17   5.435   6.979   1.683
  126    HA   ASP  17           HA       ASP  17   4.631   7.396  -1.128
  127   1HB   ASP  17          2HB       ASP  17   5.341   4.867  -0.499
  128   2HB   ASP  17          1HB       ASP  17   3.671   4.831   0.066
  129    H    LEU  18           H        LEU  18   2.361   7.806  -1.300
  130    HA   LEU  18           HA       LEU  18   0.386   8.775  -0.462
  131   1HB   LEU  18          2HB       LEU  18   0.493   6.685   1.708
  132   2HB   LEU  18          1HB       LEU  18  -0.910   7.300   0.833
  133    HG   LEU  18           HG       LEU  18   1.288   5.547  -0.306
  134   1HD1  LEU  18          1HD1      LEU  18  -1.640   5.074   0.319
  135   2HD1  LEU  18          2HD1      LEU  18  -0.254   4.278   1.063
  136   3HD1  LEU  18          3HD1      LEU  18  -0.645   3.967  -0.628
  137   1HD2  LEU  18          1HD2      LEU  18  -1.111   6.900  -1.569
  138   2HD2  LEU  18          2HD2      LEU  18  -0.282   5.536  -2.318
  139   3HD2  LEU  18          3HD2      LEU  18   0.581   7.048  -2.042
  140    H    LYS  19           H        LYS  19  -0.361   8.555   2.452
  141    HA   LYS  19           HA       LYS  19   1.567  10.607   3.479
  142   1HB   LYS  19          2HB       LYS  19  -0.954  11.184   2.957
  143   2HB   LYS  19          1HB       LYS  19  -1.252  10.378   4.496
  144   1HG   LYS  19          2HG       LYS  19  -0.914  12.569   5.211
  145   2HG   LYS  19          1HG       LYS  19   0.720  11.921   5.344
  146   1HD   LYS  19          2HD       LYS  19   0.901  12.732   2.823
  147   2HD   LYS  19          1HD       LYS  19  -0.412  13.806   3.303
  148   1HE   LYS  19          2HE       LYS  19   0.971  14.600   5.213
  149   2HE   LYS  19          1HE       LYS  19   2.296  13.582   4.648
  150   1HZ   LYS  19          1HZ       LYS  19   1.087  15.386   2.703
  151   2HZ   LYS  19          2HZ       LYS  19   2.711  14.923   2.895
  152   3HZ   LYS  19          3HZ       LYS  19   2.032  16.098   3.918
  153    H    GLY  20           H        GLY  20   0.961   7.442   3.848
  154   1HA   GLY  20          2HA       GLY  20   1.556   7.558   6.778
  155   2HA   GLY  20          1HA       GLY  20   0.359   6.424   6.158
  156    H    VAL  21           H        VAL  21   3.010   6.912   4.034
  157    HA   VAL  21           HA       VAL  21   4.209   4.332   4.987
  158    HB   VAL  21           HB       VAL  21   4.375   5.416   2.174
  159   1HG1  VAL  21          1HG1      VAL  21   5.024   3.171   1.618
  160   2HG1  VAL  21          2HG1      VAL  21   4.583   2.584   3.222
  161   3HG1  VAL  21          3HG1      VAL  21   5.982   3.640   3.023
  162   1HG2  VAL  21          1HG2      VAL  21   2.269   3.679   3.478
  163   2HG2  VAL  21          2HG2      VAL  21   2.558   3.651   1.738
  164   3HG2  VAL  21          3HG2      VAL  21   2.031   5.140   2.521
  165    H    SER  22           H        SER  22   6.392   4.318   5.406
  166    HA   SER  22           HA       SER  22   8.260   6.179   4.255
  167   1HB   SER  22          2HB       SER  22   8.545   7.774   5.913
  168   2HB   SER  22          1HB       SER  22   6.812   7.497   6.058
  169    HG   SER  22           HG       SER  22   7.995   5.650   7.500
  170    H    HIS  23           H        HIS  23   9.836   4.640   4.067
  171    HA   HIS  23           HA       HIS  23  10.928   3.499   6.566
  172   1HB   HIS  23          2HB       HIS  23   9.462   1.966   4.518
  173   2HB   HIS  23          1HB       HIS  23  11.046   1.294   4.901
  174    HD1  HIS  23           1HD      HIS  23   8.821   3.088   7.385
  175    HD2  HIS  23           2HD      HIS  23  10.178  -0.772   6.589
  176    HE1  HIS  23           1HE      HIS  23   8.106   1.657   9.350
  177    HA   PRO  24           HA       PRO  24  14.782   4.362   4.569
  178   1HB   PRO  24          2HB       PRO  24  16.041   1.890   5.339
  179   2HB   PRO  24          1HB       PRO  24  16.216   3.482   6.081
  180   1HG   PRO  24          2HG       PRO  24  14.796   1.186   7.095
  181   2HG   PRO  24          1HG       PRO  24  15.052   2.750   7.875
  182   1HD   PRO  24          2HD       PRO  24  12.596   1.731   6.819
  183   2HD   PRO  24          1HD       PRO  24  12.897   3.361   7.469
  184    H    LEU  25           H        LEU  25  15.730   3.963   2.548
  185    HA   LEU  25           HA       LEU  25  14.446   2.199   0.722
  186   1HB   LEU  25          2HB       LEU  25  16.633   4.103   0.672
  187   2HB   LEU  25          1HB       LEU  25  17.076   2.665  -0.243
  188    HG   LEU  25           HG       LEU  25  14.402   4.022  -0.636
  189   1HD1  LEU  25          1HD1      LEU  25  17.083   4.668  -1.872
  190   2HD1  LEU  25          2HD1      LEU  25  15.930   5.775  -1.128
  191   3HD1  LEU  25          3HD1      LEU  25  15.564   5.040  -2.689
  192   1HD2  LEU  25          1HD2      LEU  25  16.139   2.169  -2.300
  193   2HD2  LEU  25          2HD2      LEU  25  14.655   2.920  -2.884
  194   3HD2  LEU  25          3HD2      LEU  25  14.595   1.773  -1.546
  195    H    ASN  26           H        ASN  26  15.760   0.423  -0.495
  196    HA   ASN  26           HA       ASN  26  17.913  -0.960   0.668
  197   1HB   ASN  26          2HB       ASN  26  16.359  -2.902   1.638
  198   2HB   ASN  26          1HB       ASN  26  16.854  -1.543   2.644
  199   1HD2  ASN  26          1HD2      ASN  26  14.551  -0.938   0.066
  200   2HD2  ASN  26          2HD2      ASN  26  13.192  -0.753   1.066
  201    H    SER  27           H        SER  27  14.717  -2.291  -0.252
  202    HA   SER  27           HA       SER  27  15.574  -2.879  -2.965
  203   1HB   SER  27          2HB       SER  27  15.318  -5.220  -1.063
  204   2HB   SER  27          1HB       SER  27  15.701  -5.295  -2.780
  205    HG   SER  27           HG       SER  27  17.240  -4.095  -0.714
  206    H    VAL  28           H        VAL  28  13.920  -5.245  -3.176
  207    HA   VAL  28           HA       VAL  28  11.234  -3.960  -2.868
  208    HB   VAL  28           HB       VAL  28  11.562  -4.346  -5.155
  209   1HG1  VAL  28          1HG1      VAL  28  12.860  -6.950  -4.324
  210   2HG1  VAL  28          2HG1      VAL  28  13.640  -5.559  -5.078
  211   3HG1  VAL  28          3HG1      VAL  28  12.498  -6.538  -6.000
  212   1HG2  VAL  28          1HG2      VAL  28  10.010  -6.060  -5.767
  213   2HG2  VAL  28          2HG2      VAL  28   9.474  -5.454  -4.203
  214   3HG2  VAL  28          3HG2      VAL  28  10.347  -6.984  -4.303
  215    H    TRP  29           H        TRP  29   9.438  -5.560  -2.515
  216    HA   TRP  29           HA       TRP  29  10.221  -8.074  -1.174
  217   1HB   TRP  29          2HB       TRP  29   8.723  -7.410   0.811
  218   2HB   TRP  29          1HB       TRP  29  10.318  -6.663   0.735
  219    HD1  TRP  29           HD       TRP  29   6.615  -5.900   0.212
  220    HE1  TRP  29           1HE      TRP  29   6.292  -3.342   0.177
  221    HE3  TRP  29           3HE      TRP  29  11.494  -4.392   0.251
  222    HZ2  TRP  29           2HZ      TRP  29   7.890  -0.971   0.166
  223    HZ3  TRP  29           3HZ      TRP  29  12.064  -1.981   0.229
  224    HH2  TRP  29           HH       TRP  29  10.271  -0.270   0.185
  225    H    LYS  30           H        LYS  30   8.704  -9.625  -1.545
  226    HA   LYS  30           HA       LYS  30   6.025  -8.743  -2.566
  227   1HB   LYS  30          2HB       LYS  30   7.380  -9.696  -4.376
  228   2HB   LYS  30          1HB       LYS  30   7.696 -11.134  -3.406
  229   1HG   LYS  30          2HG       LYS  30   5.340 -11.727  -3.419
  230   2HG   LYS  30          1HG       LYS  30   4.927 -10.218  -4.237
  231   1HD   LYS  30          2HD       LYS  30   6.162 -10.889  -6.217
  232   2HD   LYS  30          1HD       LYS  30   6.767 -12.330  -5.399
  233   1HE   LYS  30          2HE       LYS  30   4.290 -12.970  -5.077
  234   2HE   LYS  30          1HE       LYS  30   3.941 -11.728  -6.280
  235   1HZ   LYS  30          1HZ       LYS  30   5.968 -13.106  -7.410
  236   2HZ   LYS  30          2HZ       LYS  30   4.321 -13.344  -7.748
  237   3HZ   LYS  30          3HZ       LYS  30   5.110 -14.336  -6.618
  238    H    THR  31           H        THR  31   4.410  -9.389  -1.234
  239    HA   THR  31           HA       THR  31   4.908 -11.260   0.937
  240    HB   THR  31           HB       THR  31   2.716 -10.744   1.664
  241    HG1  THR  31           1HG      THR  31   1.684 -11.264  -0.304
  242   1HG2  THR  31          1HG2      THR  31   3.413  -8.291   0.048
  243   2HG2  THR  31          2HG2      THR  31   4.357  -8.780   1.456
  244   3HG2  THR  31          3HG2      THR  31   2.651  -8.371   1.637
  245    H    LYS  32           H        LYS  32   2.624 -12.810   1.069
  246    HA   LYS  32           HA       LYS  32   3.205 -14.824  -0.986
  247   1HB   LYS  32          2HB       LYS  32   2.685 -15.254   1.519
  248   2HB   LYS  32          1HB       LYS  32   0.998 -15.005   1.067
  249   1HG   LYS  32          2HG       LYS  32   1.460 -16.734  -0.811
  250   2HG   LYS  32          1HG       LYS  32   2.897 -17.149   0.122
  251   1HD   LYS  32          2HD       LYS  32   1.452 -17.544   2.114
  252   2HD   LYS  32          1HD       LYS  32   0.034 -17.221   1.116
  253   1HE   LYS  32          2HE       LYS  32   0.982 -19.068  -0.448
  254   2HE   LYS  32          1HE       LYS  32   1.972 -19.523   0.940
  255   1HZ   LYS  32          1HZ       LYS  32  -0.936 -19.145   1.233
  256   2HZ   LYS  32          2HZ       LYS  32   0.124 -20.062   2.191
  257   3HZ   LYS  32          3HZ       LYS  32  -0.318 -20.610   0.645
  258    H    ASP  33           H        ASP  33   2.402 -13.268  -2.721
  259    HA   ASP  33           HA       ASP  33   0.764 -12.685  -4.294
  260   1HB   ASP  33          2HB       ASP  33   0.418 -15.228  -4.066
  261   2HB   ASP  33          1HB       ASP  33  -0.958 -14.828  -3.039
  262    H    CYS  34           H        CYS  34   0.521 -12.036  -1.139
  263    HA   CYS  34           HA       CYS  34  -2.295 -11.150  -1.097
  264   1HB   CYS  34          2HB       CYS  34  -0.036 -11.090   0.904
  265   2HB   CYS  34          1HB       CYS  34  -1.529 -10.194   1.182
  266    H    GLU  35           H        GLU  35   0.946  -9.777  -1.374
  267    HA   GLU  35           HA       GLU  35  -0.173  -7.341  -2.548
  268   1HB   GLU  35          2HB       GLU  35  -0.419  -6.684  -0.254
  269   2HB   GLU  35          1HB       GLU  35   1.173  -7.313   0.165
  270   1HG   GLU  35          2HG       GLU  35   2.286  -5.583  -1.044
  271   2HG   GLU  35          1HG       GLU  35   0.796  -5.092  -1.852
  272    H    GLU  36           H        GLU  36   1.643  -5.854  -3.233
  273    HA   GLU  36           HA       GLU  36   4.331  -7.077  -3.306
  274   1HB   GLU  36          2HB       GLU  36   3.151  -8.044  -5.271
  275   2HB   GLU  36          1HB       GLU  36   2.804  -6.411  -5.844
  276   1HG   GLU  36          2HG       GLU  36   5.126  -5.929  -6.164
  277   2HG   GLU  36          1HG       GLU  36   5.615  -7.381  -5.289
  278    H    CYS  37           H        CYS  37   5.835  -5.452  -3.163
  279    HA   CYS  37           HA       CYS  37   5.185  -2.776  -4.234
  280   1HB   CYS  37          2HB       CYS  37   5.372  -3.463  -1.347
  281   2HB   CYS  37          1HB       CYS  37   6.169  -1.973  -1.854
  282    H    THR  38           H        THR  38   6.964  -1.859  -5.117
  283    HA   THR  38           HA       THR  38   9.646  -2.931  -4.323
  284    HB   THR  38           HB       THR  38  10.307  -3.045  -6.566
  285    HG1  THR  38           1HG      THR  38   9.724  -1.562  -7.911
  286   1HG2  THR  38          1HG2      THR  38   8.229  -4.536  -5.879
  287   2HG2  THR  38          2HG2      THR  38   8.804  -4.518  -7.546
  288   3HG2  THR  38          3HG2      THR  38   7.403  -3.551  -7.086
  289    H    CYS  39           H        CYS  39  11.340  -1.384  -4.295
  290    HA   CYS  39           HA       CYS  39  10.409   1.462  -4.343
  291   1HB   CYS  39          2HB       CYS  39  12.217  -0.081  -2.577
  292   2HB   CYS  39          1HB       CYS  39  12.820   1.511  -3.034
  293    H    GLY  40           H        GLY  40  10.798   1.819  -6.575
  294   1HA   GLY  40          2HA       GLY  40  13.342   1.123  -7.801
  295   2HA   GLY  40          1HA       GLY  40  12.092   2.139  -8.522
  296    H    GLN  41           H        GLN  41  15.191   2.318  -7.772
  297    HA   GLN  41           HA       GLN  41  15.588   4.514  -6.061
  298   1HB   GLN  41          2HB       GLN  41  17.087   3.805  -8.602
  299   2HB   GLN  41          1HB       GLN  41  17.667   4.925  -7.368
  300   1HG   GLN  41          2HG       GLN  41  17.919   3.222  -5.761
  301   2HG   GLN  41          1HG       GLN  41  16.859   2.116  -6.633
  302   1HE2  GLN  41          1HE2      GLN  41  17.911   0.573  -7.893
  303   2HE2  GLN  41          2HE2      GLN  41  19.515   0.691  -8.437
  304    H    ASP  42           H        ASP  42  13.767   4.456  -8.873
  305    HA   ASP  42           HA       ASP  42  13.970   7.434  -9.132
  306   1HB   ASP  42          2HB       ASP  42  14.952   6.079 -11.077
  307   2HB   ASP  42          1HB       ASP  42  13.297   5.575 -11.419
  308    H    ALA  43           H        ALA  43  11.984   4.630  -8.763
  309    HA   ALA  43           HA       ALA  43   9.636   6.335  -8.355
  310   1HB   ALA  43          1HB       ALA  43   9.584   4.213 -10.523
  311   2HB   ALA  43          2HB       ALA  43   9.614   5.952 -10.818
  312   3HB   ALA  43          3HB       ALA  43   8.226   5.218 -10.013
  313    H    ILE  44           H        ILE  44   7.724   4.923  -7.681
  314    HA   ILE  44           HA       ILE  44   8.679   2.412  -6.352
  315    HB   ILE  44           HB       ILE  44   6.642   4.349  -5.220
  316   1HG1  ILE  44          2HG1      ILE  44   9.596   4.037  -4.586
  317   2HG1  ILE  44          1HG1      ILE  44   8.833   5.449  -5.318
  318   1HG2  ILE  44          1HG2      ILE  44   8.219   2.134  -3.885
  319   2HG2  ILE  44          2HG2      ILE  44   6.593   1.914  -4.531
  320   3HG2  ILE  44          3HG2      ILE  44   6.870   3.044  -3.206
  321   1HD1  ILE  44          1HD1      ILE  44   9.068   5.956  -2.991
  322   2HD1  ILE  44          2HD1      ILE  44   8.436   4.380  -2.516
  323   3HD1  ILE  44          3HD1      ILE  44   7.364   5.578  -3.240
  324    H    SER  45           H        SER  45   7.560   0.704  -7.154
  325    HA   SER  45           HA       SER  45   4.820   1.196  -8.254
  326   1HB   SER  45          2HB       SER  45   6.090   0.304 -10.012
  327   2HB   SER  45          1HB       SER  45   7.006  -0.753  -8.941
  328    HG   SER  45           HG       SER  45   4.419  -1.033  -9.985
  329    H    CYS  46           H        CYS  46   3.115  -0.114  -7.561
  330    HA   CYS  46           HA       CYS  46   3.694  -2.278  -5.618
  331   1HB   CYS  46          2HB       CYS  46   2.207   0.268  -4.997
  332   2HB   CYS  46          1HB       CYS  46   1.813  -1.227  -4.144
  333    H    CYS  47           H        CYS  47   2.330  -3.955  -5.929
  334    HA   CYS  47           HA       CYS  47  -0.154  -3.457  -7.533
  335   1HB   CYS  47          2HB       CYS  47   1.103  -6.172  -7.422
  336   2HB   CYS  47          1HB       CYS  47   0.224  -5.395  -8.740
  337    H    ASN  48           H        ASN  48  -2.058  -4.444  -6.803
  338    HA   ASN  48           HA       ASN  48  -1.884  -5.760  -4.113
  339   1HB   ASN  48          2HB       ASN  48  -4.284  -4.871  -3.880
  340   2HB   ASN  48          1HB       ASN  48  -2.990  -3.673  -3.805
  341   1HD2  ASN  48          1HD2      ASN  48  -3.965  -1.858  -4.789
  342   2HD2  ASN  48          2HD2      ASN  48  -4.632  -1.872  -6.350
  343    H    THR  49           H        THR  49  -3.498  -7.436  -3.717
  344    HA   THR  49           HA       THR  49  -4.768  -8.552  -6.183
  345    HB   THR  49           HB       THR  49  -4.097 -10.846  -5.284
  346    HG1  THR  49           1HG      THR  49  -3.490  -9.931  -3.205
  347   1HG2  THR  49          1HG2      THR  49  -1.847 -10.711  -6.272
  348   2HG2  THR  49          2HG2      THR  49  -1.891  -8.952  -6.143
  349   3HG2  THR  49          3HG2      THR  49  -3.005  -9.786  -7.229
  350    H    ALA  50           H        ALA  50  -4.737  -8.209  -2.685
  351    HA   ALA  50           HA       ALA  50  -6.935  -9.915  -2.066
  352   1HB   ALA  50          1HB       ALA  50  -7.196  -8.460  -0.046
  353   2HB   ALA  50          2HB       ALA  50  -6.016  -7.348  -0.739
  354   3HB   ALA  50          3HB       ALA  50  -5.533  -8.987  -0.303
  355    H    ALA  51           H        ALA  51  -9.129  -9.018  -1.314
  356    HA   ALA  51           HA       ALA  51 -10.610  -7.984  -3.437
  357   1HB   ALA  51          1HB       ALA  51 -11.599  -8.944  -1.363
  358   2HB   ALA  51          2HB       ALA  51 -12.336  -7.402  -1.798
  359   3HB   ALA  51          3HB       ALA  51 -11.150  -7.477  -0.494
  360    H    ILE  52           H        ILE  52 -11.779  -5.756  -3.378
  361    HA   ILE  52           HA       ILE  52  -9.814  -3.626  -2.654
  362    HB   ILE  52           HB       ILE  52 -11.532  -3.736  -5.147
  363   1HG1  ILE  52          2HG1      ILE  52  -9.008  -3.663  -6.072
  364   2HG1  ILE  52          1HG1      ILE  52  -8.694  -4.480  -4.543
  365   1HG2  ILE  52          1HG2      ILE  52 -10.469  -1.685  -5.788
  366   2HG2  ILE  52          2HG2      ILE  52  -9.337  -1.776  -4.440
  367   3HG2  ILE  52          3HG2      ILE  52 -11.043  -1.448  -4.139
  368   1HD1  ILE  52          1HD1      ILE  52  -9.150  -6.064  -6.419
  369   2HD1  ILE  52          2HD1      ILE  52 -10.764  -5.373  -6.569
  370   3HD1  ILE  52          3HD1      ILE  52 -10.304  -6.224  -5.098
  371    HA   PRO  53           HA       PRO  53 -13.355  -2.062  -0.388
  372   1HB   PRO  53          2HB       PRO  53 -12.364   0.636  -0.554
  373   2HB   PRO  53          1HB       PRO  53 -12.314  -0.466   0.823
  374   1HG   PRO  53          2HG       PRO  53 -10.136   0.363  -0.865
  375   2HG   PRO  53          1HG       PRO  53 -10.083  -0.697   0.547
  376   1HD   PRO  53          2HD       PRO  53  -9.743  -1.442  -2.199
  377   2HD   PRO  53          1HD       PRO  53  -9.802  -2.520  -0.782
  378    H    THR  54           H        THR  54 -15.294  -1.810  -1.420
  379    HA   THR  54           HA       THR  54 -15.422   0.007  -3.795
  380    HB   THR  54           HB       THR  54 -17.273  -1.294  -4.575
  381    HG1  THR  54           1HG      THR  54 -17.513  -3.187  -2.756
  382   1HG2  THR  54          1HG2      THR  54 -15.421  -3.337  -3.342
  383   2HG2  THR  54          2HG2      THR  54 -14.932  -2.316  -4.695
  384   3HG2  THR  54          3HG2      THR  54 -16.281  -3.437  -4.879
  385    H    GLY  55           H        GLY  55 -18.079   0.567  -3.911
  386   1HA   GLY  55          2HA       GLY  55 -19.598   2.140  -3.043
  387   2HA   GLY  55          1HA       GLY  55 -19.502   1.162  -1.579
  388    H    TYR  56           H        TYR  56 -16.473   2.364  -2.489
  389    HA   TYR  56           HA       TYR  56 -16.503   4.241  -0.213
  390   1HB   TYR  56          2HB       TYR  56 -14.490   3.120  -0.132
  391   2HB   TYR  56          1HB       TYR  56 -14.428   2.893  -1.879
  392    HD1  TYR  56           1HD      TYR  56 -12.864   4.139  -3.077
  393    HD2  TYR  56           2HD      TYR  56 -14.382   5.691   0.630
  394    HE1  TYR  56           1HE      TYR  56 -11.358   6.096  -3.280
  395    HE2  TYR  56           2HE      TYR  56 -12.873   7.649   0.426
  396    HH   TYR  56           HH       TYR  56 -10.400   7.813  -2.041
  397    H    ASP  57           H        ASP  57 -17.284   6.247  -0.651
  398    HA   ASP  57           HA       ASP  57 -16.212   7.675  -3.034
  399   1HB   ASP  57          2HB       ASP  57 -19.130   7.827  -2.243
  400   2HB   ASP  57          1HB       ASP  57 -18.370   8.469  -3.700
  401    H    THR  58           H        THR  58 -15.142   9.364  -2.115
  402    HA   THR  58           HA       THR  58 -16.601  11.035  -0.138
  403    HB   THR  58           HB       THR  58 -14.724  11.097   1.393
  404    HG1  THR  58           1HG      THR  58 -13.503   9.753  -0.715
  405   1HG2  THR  58          1HG2      THR  58 -16.391   9.190   1.509
  406   2HG2  THR  58          2HG2      THR  58 -14.831   8.864   2.265
  407   3HG2  THR  58          3HG2      THR  58 -15.196   8.197   0.674
  408    H    ASN  59           H        ASN  59 -13.165  11.336  -0.642
  409    HA   ASN  59           HA       ASN  59 -13.592  13.466  -2.681
  410   1HB   ASN  59          2HB       ASN  59 -12.943  13.898   0.111
  411   2HB   ASN  59          1HB       ASN  59 -11.614  14.455  -0.903
  412   1HD2  ASN  59          1HD2      ASN  59 -15.212  14.512  -1.290
  413   2HD2  ASN  59          2HD2      ASN  59 -15.289  16.170  -1.646
  414    H    LYS  60           H        LYS  60 -10.859  12.301  -0.672
  415    HA   LYS  60           HA       LYS  60  -9.504  11.430  -3.189
  416   1HB   LYS  60          2HB       LYS  60  -8.354  13.158  -0.982
  417   2HB   LYS  60          1HB       LYS  60  -7.366  12.352  -2.200
  418   1HG   LYS  60          2HG       LYS  60  -8.340  13.603  -3.974
  419   2HG   LYS  60          1HG       LYS  60  -9.661  14.167  -2.951
  420   1HD   LYS  60          2HD       LYS  60  -8.197  15.578  -1.682
  421   2HD   LYS  60          1HD       LYS  60  -6.763  14.846  -2.404
  422   1HE   LYS  60          2HE       LYS  60  -8.854  16.356  -3.993
  423   2HE   LYS  60          1HE       LYS  60  -7.373  17.092  -3.379
  424   1HZ   LYS  60          1HZ       LYS  60  -7.575  15.911  -5.763
  425   2HZ   LYS  60          2HZ       LYS  60  -7.017  14.608  -4.826
  426   3HZ   LYS  60          3HZ       LYS  60  -6.121  16.050  -4.900
  427    H    CYS  61           H        CYS  61  -8.266  11.572   0.121
  428    HA   CYS  61           HA       CYS  61  -7.418   9.850   1.478
  429   1HB   CYS  61          2HB       CYS  61  -9.888   8.523   0.328
  430   2HB   CYS  61          1HB       CYS  61  -8.928   7.842   1.641
  431    H    GLN  62           H        GLN  62  -6.726   7.422   1.381
  432    HA   GLN  62           HA       GLN  62  -5.917   6.671  -1.396
  433   1HB   GLN  62          2HB       GLN  62  -4.130   6.956   1.030
  434   2HB   GLN  62          1HB       GLN  62  -3.664   6.022  -0.390
  435   1HG   GLN  62          2HG       GLN  62  -3.347   7.887  -1.686
  436   2HG   GLN  62          1HG       GLN  62  -4.688   8.757  -0.945
  437   1HE2  GLN  62          1HE2      GLN  62  -3.900   8.660   1.791
  438   2HE2  GLN  62          2HE2      GLN  62  -2.462   9.545   1.975
  439    H    LYS  63           H        LYS  63  -4.907   4.354  -1.283
  440    HA   LYS  63           HA       LYS  63  -6.486   2.722   0.675
  441   1HB   LYS  63          2HB       LYS  63  -5.763   1.650  -2.032
  442   2HB   LYS  63          1HB       LYS  63  -7.137   1.248  -1.001
  443   1HG   LYS  63          2HG       LYS  63  -7.967   3.629  -1.413
  444   2HG   LYS  63          1HG       LYS  63  -6.743   3.730  -2.680
  445   1HD   LYS  63          2HD       LYS  63  -7.760   1.536  -3.584
  446   2HD   LYS  63          1HD       LYS  63  -9.129   1.887  -2.529
  447   1HE   LYS  63          2HE       LYS  63  -8.141   3.426  -4.916
  448   2HE   LYS  63          1HE       LYS  63  -9.783   2.915  -4.526
  449   1HZ   LYS  63          1HZ       LYS  63  -9.464   4.467  -2.503
  450   2HZ   LYS  63          2HZ       LYS  63  -9.831   5.141  -4.018
  451   3HZ   LYS  63          3HZ       LYS  63  -8.234   5.166  -3.439
  452    H    ILE  64           H        ILE  64  -5.105   1.715   2.038
  453    HA   ILE  64           HA       ILE  64  -2.422   0.885   0.994
  454    HB   ILE  64           HB       ILE  64  -3.384   1.781   3.703
  455   1HG1  ILE  64          2HG1      ILE  64  -0.808   2.339   2.210
  456   2HG1  ILE  64          1HG1      ILE  64  -2.269   3.301   1.989
  457   1HG2  ILE  64          1HG2      ILE  64  -2.337  -0.251   4.332
  458   2HG2  ILE  64          2HG2      ILE  64  -1.068   0.961   4.508
  459   3HG2  ILE  64          3HG2      ILE  64  -1.093  -0.091   3.092
  460   1HD1  ILE  64          1HD1      ILE  64  -0.522   4.111   3.736
  461   2HD1  ILE  64          2HD1      ILE  64  -1.154   2.812   4.747
  462   3HD1  ILE  64          3HD1      ILE  64  -2.223   4.104   4.202
  463    H    LEU  65           H        LEU  65  -1.860  -1.270   1.148
  464    HA   LEU  65           HA       LEU  65  -4.003  -3.125   2.075
  465   1HB   LEU  65          2HB       LEU  65  -2.993  -3.194  -0.307
  466   2HB   LEU  65          1HB       LEU  65  -1.568  -3.885   0.460
  467    HG   LEU  65           HG       LEU  65  -4.353  -5.014   0.836
  468   1HD1  LEU  65          1HD1      LEU  65  -3.441  -6.815  -0.768
  469   2HD1  LEU  65          2HD1      LEU  65  -2.240  -5.611  -1.237
  470   3HD1  LEU  65          3HD1      LEU  65  -3.956  -5.287  -1.482
  471   1HD2  LEU  65          1HD2      LEU  65  -1.555  -5.840   1.585
  472   2HD2  LEU  65          2HD2      LEU  65  -2.776  -7.080   1.301
  473   3HD2  LEU  65          3HD2      LEU  65  -3.024  -5.873   2.560
  474    H    ASN  66           H        ASN  66  -3.692  -3.985   4.064
  475    HA   ASN  66           HA       ASN  66  -1.044  -3.915   5.325
  476   1HB   ASN  66          2HB       ASN  66  -3.484  -3.646   6.382
  477   2HB   ASN  66          1HB       ASN  66  -3.345  -5.396   6.546
  478   1HD2  ASN  66          1HD2      ASN  66  -0.754  -5.855   7.261
  479   2HD2  ASN  66          2HD2      ASN  66  -0.337  -5.008   8.673
  480    H    LYS  67           H        LYS  67   0.405  -5.560   5.175
  481    HA   LYS  67           HA       LYS  67  -0.401  -8.074   3.884
  482   1HB   LYS  67          2HB       LYS  67   2.007  -8.603   3.956
  483   2HB   LYS  67          1HB       LYS  67   1.731  -7.000   3.277
  484   1HG   LYS  67          2HG       LYS  67   3.297  -6.327   4.795
  485   2HG   LYS  67          1HG       LYS  67   1.959  -6.394   5.939
  486   1HD   LYS  67          2HD       LYS  67   3.530  -7.711   7.038
  487   2HD   LYS  67          1HD       LYS  67   2.657  -8.944   6.132
  488   1HE   LYS  67          2HE       LYS  67   5.370  -7.765   5.594
  489   2HE   LYS  67          1HE       LYS  67   4.881  -9.459   5.621
  490   1HZ   LYS  67          1HZ       LYS  67   5.275  -8.249   3.374
  491   2HZ   LYS  67          2HZ       LYS  67   3.703  -7.657   3.623
  492   3HZ   LYS  67          3HZ       LYS  67   3.980  -9.331   3.536
  493    H    LYS  68           H        LYS  68  -0.540  -6.987   7.015
  494    HA   LYS  68           HA       LYS  68   0.573  -9.111   8.533
  495   1HB   LYS  68          2HB       LYS  68  -1.645  -7.135   8.993
  496   2HB   LYS  68          1HB       LYS  68  -1.422  -8.454  10.142
  497   1HG   LYS  68          2HG       LYS  68   0.972  -6.846   9.306
  498   2HG   LYS  68          1HG       LYS  68  -0.146  -6.158  10.482
  499   1HD   LYS  68          2HD       LYS  68   0.195  -7.955  12.012
  500   2HD   LYS  68          1HD       LYS  68   1.003  -8.939  10.792
  501   1HE   LYS  68          2HE       LYS  68   2.814  -7.196  10.686
  502   2HE   LYS  68          1HE       LYS  68   2.043  -6.386  12.051
  503   1HZ   LYS  68          1HZ       LYS  68   3.216  -9.107  11.985
  504   2HZ   LYS  68          2HZ       LYS  68   2.229  -8.556  13.254
  505   3HZ   LYS  68          3HZ       LYS  68   3.710  -7.788  12.929
  506    H    THR  69           H        THR  69  -2.780  -8.680   7.375
  507    HA   THR  69           HA       THR  69  -3.056 -11.662   7.386
  508    HB   THR  69           HB       THR  69  -5.501 -11.212   8.004
  509    HG1  THR  69           1HG      THR  69  -4.423  -8.777   8.951
  510   1HG2  THR  69          1HG2      THR  69  -4.892 -10.842  10.451
  511   2HG2  THR  69          2HG2      THR  69  -3.223 -10.657   9.913
  512   3HG2  THR  69          3HG2      THR  69  -4.070 -12.182   9.654
  513    H    CYS  70           H        CYS  70  -2.420  -9.733   5.222
  514    HA   CYS  70           HA       CYS  70  -3.135  -9.211   3.042
  515   1HB   CYS  70          2HB       CYS  70  -4.822 -11.708   3.368
  516   2HB   CYS  70          1HB       CYS  70  -4.189 -11.033   1.867
  517    H    THR  71           H        THR  71  -4.346  -7.346   4.003
  518    HA   THR  71           HA       THR  71  -7.249  -7.621   3.408
  519    HB   THR  71           HB       THR  71  -7.974  -6.832   5.470
  520    HG1  THR  71           1HG      THR  71  -6.936  -5.016   5.846
  521   1HG2  THR  71          1HG2      THR  71  -6.774  -9.030   5.723
  522   2HG2  THR  71          2HG2      THR  71  -6.840  -8.077   7.206
  523   3HG2  THR  71          3HG2      THR  71  -5.354  -8.131   6.259
  524    H    TYR  72           H        TYR  72  -8.262  -5.337   3.361
  525    HA   TYR  72           HA       TYR  72  -6.288  -3.471   2.103
  526   1HB   TYR  72          2HB       TYR  72  -8.887  -4.428   1.290
  527   2HB   TYR  72          1HB       TYR  72  -8.946  -2.678   1.484
  528    HD1  TYR  72           1HD      TYR  72  -7.583  -1.204   0.101
  529    HD2  TYR  72           2HD      TYR  72  -7.380  -5.472  -0.340
  530    HE1  TYR  72           1HE      TYR  72  -6.385  -0.924  -2.052
  531    HE2  TYR  72           2HE      TYR  72  -6.182  -5.192  -2.493
  532    HH   TYR  72           HH       TYR  72  -4.916  -2.161  -3.510
  533    H    THR  73           H        THR  73  -6.322  -1.282   2.705
  534    HA   THR  73           HA       THR  73  -8.126  -0.522   4.957
  535    HB   THR  73           HB       THR  73  -6.329   0.339   6.259
  536    HG1  THR  73           1HG      THR  73  -4.198   0.363   5.394
  537   1HG2  THR  73          1HG2      THR  73  -6.566  -2.187   6.175
  538   2HG2  THR  73          2HG2      THR  73  -4.988  -1.600   6.702
  539   3HG2  THR  73          3HG2      THR  73  -5.203  -2.199   5.057
  540    H    VAL  74           H        VAL  74  -7.988   1.938   5.296
  541    HA   VAL  74           HA       VAL  74  -7.303   3.384   2.782
  542    HB   VAL  74           HB       VAL  74  -9.903   3.974   4.181
  543   1HG1  VAL  74          1HG1      VAL  74 -10.509   4.885   2.039
  544   2HG1  VAL  74          2HG1      VAL  74  -9.120   4.127   1.258
  545   3HG1  VAL  74          3HG1      VAL  74  -8.879   5.457   2.392
  546   1HG2  VAL  74          1HG2      VAL  74 -10.952   2.445   2.412
  547   2HG2  VAL  74          2HG2      VAL  74 -10.157   1.634   3.761
  548   3HG2  VAL  74          3HG2      VAL  74  -9.344   1.754   2.200
  549    H    VAL  75           H        VAL  75  -6.460   5.405   3.186
  550    HA   VAL  75           HA       VAL  75  -6.589   6.410   6.007
  551    HB   VAL  75           HB       VAL  75  -4.283   7.290   5.653
  552   1HG1  VAL  75          1HG1      VAL  75  -3.181   5.206   6.013
  553   2HG1  VAL  75          2HG1      VAL  75  -4.375   4.327   5.056
  554   3HG1  VAL  75          3HG1      VAL  75  -4.818   4.984   6.632
  555   1HG2  VAL  75          1HG2      VAL  75  -4.187   7.519   3.273
  556   2HG2  VAL  75          2HG2      VAL  75  -4.614   5.827   3.023
  557   3HG2  VAL  75          3HG2      VAL  75  -3.034   6.251   3.683
  558    H    GLU  76           H        GLU  76  -5.867   8.861   5.973
  559    HA   GLU  76           HA       GLU  76  -7.403  10.169   3.763
  560   1HB   GLU  76          2HB       GLU  76  -7.845  10.361   6.448
  561   2HB   GLU  76          1HB       GLU  76  -6.756  11.725   6.206
  562   1HG   GLU  76          2HG       GLU  76  -8.229  12.507   4.337
  563   2HG   GLU  76          1HG       GLU  76  -9.355  11.207   4.733
  564    H    LYS  77           H        LYS  77  -6.393  11.728   2.537
  565    HA   LYS  77           HA       LYS  77  -3.534  11.823   2.479
  566   1HB   LYS  77          2HB       LYS  77  -5.563  12.589   0.772
  567   2HB   LYS  77          1HB       LYS  77  -4.929  14.146   1.297
  568   1HG   LYS  77          2HG       LYS  77  -3.241  11.882   0.185
  569   2HG   LYS  77          1HG       LYS  77  -3.778  13.285  -0.740
  570   1HD   LYS  77          2HD       LYS  77  -2.657  14.711   1.080
  571   2HD   LYS  77          1HD       LYS  77  -1.881  13.218   1.609
  572   1HE   LYS  77          2HE       LYS  77  -1.103  12.921  -0.803
  573   2HE   LYS  77          1HE       LYS  77  -1.634  14.579  -1.082
  574   1HZ   LYS  77          1HZ       LYS  77   0.268  15.273  -0.227
  575   2HZ   LYS  77          2HZ       LYS  77   0.748  13.678   0.104
  576   3HZ   LYS  77          3HZ       LYS  77  -0.129  14.561   1.259
  577    H    LYS  78           H        LYS  78  -5.807  13.437   4.461
  578    HA   LYS  78           HA       LYS  78  -3.712  15.417   5.284
  579   1HB   LYS  78          2HB       LYS  78  -6.326  15.911   4.372
  580   2HB   LYS  78          1HB       LYS  78  -6.422  16.107   6.119
  581   1HG   LYS  78          2HG       LYS  78  -5.814  18.253   5.308
  582   2HG   LYS  78          1HG       LYS  78  -4.307  17.561   5.906
  583   1HD   LYS  78          2HD       LYS  78  -3.517  17.097   3.726
  584   2HD   LYS  78          1HD       LYS  78  -5.124  17.248   3.015
  585   1HE   LYS  78          2HE       LYS  78  -5.134  19.643   3.418
  586   2HE   LYS  78          1HE       LYS  78  -3.607  19.539   4.292
  587   1HZ   LYS  78          1HZ       LYS  78  -2.437  19.086   2.367
  588   2HZ   LYS  78          2HZ       LYS  78  -3.578  20.228   1.836
  589   3HZ   LYS  78          3HZ       LYS  78  -3.812  18.577   1.514
  590    H    ASP  79           H        ASP  79  -5.079  12.583   6.199
  591    HA   ASP  79           HA       ASP  79  -4.378  13.034   9.014
  592   1HB   ASP  79          2HB       ASP  79  -6.846  13.728   8.630
  593   2HB   ASP  79          1HB       ASP  79  -7.153  12.002   8.448
  594    HA   PRO  80           HA       PRO  80  -3.537   8.796   7.260
  595   1HB   PRO  80          2HB       PRO  80  -1.096   8.825   8.788
  596   2HB   PRO  80          1HB       PRO  80  -1.289   8.872   7.034
  597   1HG   PRO  80          2HG       PRO  80  -0.424  10.990   8.732
  598   2HG   PRO  80          1HG       PRO  80  -0.723  11.062   6.993
  599   1HD   PRO  80          2HD       PRO  80  -2.316  12.191   9.153
  600   2HD   PRO  80          1HD       PRO  80  -2.531  12.396   7.397
  601    H    GLY  81           H        GLY  81  -4.540  10.011  10.101
  602   1HA   GLY  81          2HA       GLY  81  -4.021   7.536  11.689
  603   2HA   GLY  81          1HA       GLY  81  -4.553   9.077  12.361
  604    H    LYS  82           H        LYS  82  -6.552   9.454  10.190
  605    HA   LYS  82           HA       LYS  82  -8.624   7.609  11.290
  606   1HB   LYS  82          2HB       LYS  82  -8.792  10.304   9.919
  607   2HB   LYS  82          1HB       LYS  82 -10.209   9.305  10.245
  608   1HG   LYS  82          2HG       LYS  82  -9.432   9.245  12.684
  609   2HG   LYS  82          1HG       LYS  82  -8.298  10.523  12.250
  610   1HD   LYS  82          2HD       LYS  82 -11.246  10.768  11.636
  611   2HD   LYS  82          1HD       LYS  82 -10.593  11.239  13.204
  612   1HE   LYS  82          2HE       LYS  82  -9.716  12.329  10.511
  613   2HE   LYS  82          1HE       LYS  82 -10.679  13.185  11.715
  614   1HZ   LYS  82          1HZ       LYS  82  -7.864  12.297  11.942
  615   2HZ   LYS  82          2HZ       LYS  82  -8.778  12.801  13.282
  616   3HZ   LYS  82          3HZ       LYS  82  -8.465  13.881  12.009
  617    H    THR  83           H        THR  83  -9.983   6.444   9.862
  618    HA   THR  83           HA       THR  83  -8.799   5.980   7.185
  619    HB   THR  83           HB       THR  83 -10.303   4.019   7.123
  620    HG1  THR  83           1HG      THR  83 -11.047   4.615   9.763
  621   1HG2  THR  83          1HG2      THR  83  -9.312   2.800   9.043
  622   2HG2  THR  83          2HG2      THR  83  -8.782   4.340   9.726
  623   3HG2  THR  83          3HG2      THR  83  -8.113   3.775   8.193
  624    H    CYS  84           H        CYS  84 -10.009   6.233   5.258
  625    HA   CYS  84           HA       CYS  84 -11.886   8.393   5.219
  626   1HB   CYS  84          2HB       CYS  84 -10.372   7.143   3.327
  627   2HB   CYS  84          1HB       CYS  84 -11.963   6.487   2.945
  628    H    ASP  85           H        ASP  85 -14.032   7.712   3.698
  629    HA   ASP  85           HA       ASP  85 -15.649   6.152   5.598
  630   1HB   ASP  85          2HB       ASP  85 -16.389   8.318   4.431
  631   2HB   ASP  85          1HB       ASP  85 -16.587   7.336   2.980
  632    H    VAL  86           H        VAL  86 -14.906   4.000   5.290
  633    HA   VAL  86           HA       VAL  86 -14.911   2.836   2.593
  634    HB   VAL  86           HB       VAL  86 -14.711   1.268   5.160
  635   1HG1  VAL  86          1HG1      VAL  86 -14.761  -0.002   3.076
  636   2HG1  VAL  86          2HG1      VAL  86 -13.133  -0.063   3.751
  637   3HG1  VAL  86          3HG1      VAL  86 -13.487   1.010   2.396
  638   1HG2  VAL  86          1HG2      VAL  86 -12.646   3.075   3.889
  639   2HG2  VAL  86          2HG2      VAL  86 -12.195   1.728   4.934
  640   3HG2  VAL  86          3HG2      VAL  86 -13.178   3.047   5.570
  641    H    THR  87           H        THR  87 -16.191   0.742   2.269
  642    HA   THR  87           HA       THR  87 -18.796   0.782   3.723
  643    HB   THR  87           HB       THR  87 -18.599   0.493   0.717
  644    HG1  THR  87           1HG      THR  87 -18.218   2.560   0.806
  645   1HG2  THR  87          1HG2      THR  87 -21.023   0.952   0.851
  646   2HG2  THR  87          2HG2      THR  87 -20.900   1.061   2.607
  647   3HG2  THR  87          3HG2      THR  87 -20.587  -0.474   1.794
  648    H    GLY  88           H        GLY  88 -16.442  -0.957   1.768
  649   1HA   GLY  88          2HA       GLY  88 -16.500  -3.380   3.044
  650   2HA   GLY  88          1HA       GLY  88 -17.893  -3.493   1.966
  651    H    TRP  89           H        TRP  89 -15.745  -5.229   1.635
  652    HA   TRP  89           HA       TRP  89 -14.321  -4.154  -0.770
  653   1HB   TRP  89          2HB       TRP  89 -13.542  -6.709   0.610
  654   2HB   TRP  89          1HB       TRP  89 -12.533  -5.576  -0.291
  655    HD1  TRP  89           HD       TRP  89 -11.836  -3.295   0.941
  656    HE1  TRP  89           1HE      TRP  89 -11.631  -2.718   3.446
  657    HE3  TRP  89           3HE      TRP  89 -14.503  -7.156   2.956
  658    HZ2  TRP  89           2HZ      TRP  89 -12.487  -3.757   5.970
  659    HZ3  TRP  89           3HZ      TRP  89 -14.792  -7.338   5.410
  660    HH2  TRP  89           HH       TRP  89 -13.789  -5.646   6.918
  661    H    VAL  90           H        VAL  90 -14.031  -5.761  -2.559
  662    HA   VAL  90           HA       VAL  90 -16.026  -7.953  -2.608
  663    HB   VAL  90           HB       VAL  90 -15.957  -5.753  -4.691
  664   1HG1  VAL  90          1HG1      VAL  90 -17.986  -6.960  -5.542
  665   2HG1  VAL  90          2HG1      VAL  90 -17.651  -8.248  -4.385
  666   3HG1  VAL  90          3HG1      VAL  90 -16.503  -7.904  -5.678
  667   1HG2  VAL  90          1HG2      VAL  90 -18.310  -5.354  -3.839
  668   2HG2  VAL  90          2HG2      VAL  90 -17.036  -4.917  -2.701
  669   3HG2  VAL  90          3HG2      VAL  90 -17.929  -6.423  -2.489
  670    H    LEU  91           H        LEU  91 -15.281  -9.678  -3.802
  671    HA   LEU  91           HA       LEU  91 -12.598  -9.934  -4.550
  672   1HB   LEU  91          2HB       LEU  91 -15.112 -11.379  -5.216
  673   2HB   LEU  91          1HB       LEU  91 -13.764 -11.650  -6.317
  674    HG   LEU  91           HG       LEU  91 -12.324 -12.215  -4.355
  675   1HD1  LEU  91          1HD1      LEU  91 -13.432 -12.630  -2.184
  676   2HD1  LEU  91          2HD1      LEU  91 -14.952 -12.029  -2.848
  677   3HD1  LEU  91          3HD1      LEU  91 -13.580 -10.937  -2.658
  678   1HD2  LEU  91          1HD2      LEU  91 -13.265 -14.423  -4.008
  679   2HD2  LEU  91          2HD2      LEU  91 -13.595 -13.946  -5.673
  680   3HD2  LEU  91          3HD2      LEU  91 -14.873 -13.858  -4.461
  Start of MODEL    5
    1   1H    GLN   1          1HT       GLN   1  -3.207  -1.123 -14.041
    2   2H    GLN   1          2HT       GLN   1  -4.331  -2.237 -14.660
    3   3H    GLN   1          3HT       GLN   1  -2.981  -1.783 -15.587
    4    HA   GLN   1           HA       GLN   1  -3.207  -3.753 -13.490
    5   1HB   GLN   1          2HB       GLN   1  -2.574  -4.144 -15.906
    6   2HB   GLN   1          1HB       GLN   1  -1.073  -3.274 -15.588
    7   1HG   GLN   1          2HG       GLN   1  -0.589  -5.613 -15.312
    8   2HG   GLN   1          1HG       GLN   1  -0.649  -4.911 -13.695
    9   1HE2  GLN   1          1HE2      GLN   1  -1.116  -7.365 -13.218
   10   2HE2  GLN   1          2HE2      GLN   1  -2.748  -7.833 -13.237
   11    H    CYS   2           H        CYS   2  -2.348  -3.396 -11.505
   12    HA   CYS   2           HA       CYS   2  -0.929  -2.571  -9.825
   13   1HB   CYS   2          2HB       CYS   2   0.655  -4.016 -11.154
   14   2HB   CYS   2          1HB       CYS   2   1.138  -2.570 -12.041
   15    H    TYR   3           H        TYR   3   0.664  -0.672  -9.356
   16    HA   TYR   3           HA       TYR   3   0.248   1.648 -11.149
   17   1HB   TYR   3          2HB       TYR   3  -1.671   1.417  -9.402
   18   2HB   TYR   3          1HB       TYR   3  -0.457   1.923  -8.227
   19    HD1  TYR   3           1HD      TYR   3  -0.200   4.211  -7.835
   20    HD2  TYR   3           2HD      TYR   3  -1.728   2.890 -11.627
   21    HE1  TYR   3           1HE      TYR   3  -0.529   6.570  -8.524
   22    HE2  TYR   3           2HE      TYR   3  -2.055   5.249 -12.316
   23    HH   TYR   3           HH       TYR   3  -2.440   7.541 -10.893
   24    H    PHE   4           H        PHE   4   2.253   2.529 -11.329
   25    HA   PHE   4           HA       PHE   4   4.083   2.370  -8.964
   26   1HB   PHE   4          2HB       PHE   4   5.937   2.432 -10.523
   27   2HB   PHE   4          1HB       PHE   4   4.825   1.165 -11.039
   28    HD1  PHE   4           1HD      PHE   4   6.393   4.316 -11.906
   29    HD2  PHE   4           2HD      PHE   4   3.183   1.641 -12.902
   30    HE1  PHE   4           1HE      PHE   4   6.153   5.426 -14.111
   31    HE2  PHE   4           2HE      PHE   4   2.942   2.752 -15.106
   32    HZ   PHE   4           HZ       PHE   4   4.428   4.644 -15.711
   33    H    ILE   5           H        ILE   5   4.710   4.264  -8.061
   34    HA   ILE   5           HA       ILE   5   4.104   6.787  -9.548
   35    HB   ILE   5           HB       ILE   5   4.284   6.393  -6.551
   36   1HG1  ILE   5          2HG1      ILE   5   1.826   6.640  -8.314
   37   2HG1  ILE   5          1HG1      ILE   5   2.386   5.139  -7.576
   38   1HG2  ILE   5          1HG2      ILE   5   3.296   8.604  -6.430
   39   2HG2  ILE   5          2HG2      ILE   5   3.119   8.666  -8.183
   40   3HG2  ILE   5          3HG2      ILE   5   4.726   8.694  -7.457
   41   1HD1  ILE   5          1HD1      ILE   5   2.245   6.327  -5.331
   42   2HD1  ILE   5          2HD1      ILE   5   0.697   6.020  -6.119
   43   3HD1  ILE   5          3HD1      ILE   5   1.407   7.633  -6.169
   44    HA   PRO   6           HA       PRO   6   8.556   7.314  -9.565
   45   1HB   PRO   6          2HB       PRO   6   8.305  10.185  -9.570
   46   2HB   PRO   6          1HB       PRO   6   8.694   9.118 -10.921
   47   1HG   PRO   6          2HG       PRO   6   6.226  10.523 -10.402
   48   2HG   PRO   6          1HG       PRO   6   6.656   9.540 -11.806
   49   1HD   PRO   6          2HD       PRO   6   4.784   8.882  -9.759
   50   2HD   PRO   6          1HD       PRO   6   5.352   7.820 -11.071
   51    H    ASN   7           H        ASN   7  10.191   7.872  -8.052
   52    HA   ASN   7           HA       ASN   7   9.623   7.876  -5.335
   53   1HB   ASN   7          2HB       ASN   7  11.914   7.746  -6.580
   54   2HB   ASN   7          1HB       ASN   7  11.942   9.497  -6.376
   55   1HD2  ASN   7          1HD2      ASN   7  10.399   9.258  -3.765
   56   2HD2  ASN   7          2HD2      ASN   7  11.545   8.722  -2.634
   57    H    GLN   8           H        GLN   8   8.059   9.252  -4.533
   58    HA   GLN   8           HA       GLN   8   8.120  12.117  -5.247
   59   1HB   GLN   8          2HB       GLN   8   6.060  12.260  -3.909
   60   2HB   GLN   8          1HB       GLN   8   5.949  10.939  -5.072
   61   1HG   GLN   8          2HG       GLN   8   6.846   9.437  -3.169
   62   2HG   GLN   8          1HG       GLN   8   6.435  10.776  -2.097
   63   1HE2  GLN   8          1HE2      GLN   8   5.127   8.120  -3.925
   64   2HE2  GLN   8          2HE2      GLN   8   3.493   8.405  -3.561
   65    H    SER   9           H        SER   9   9.847  10.277  -3.160
   66    HA   SER   9           HA       SER   9   9.636  11.670  -0.672
   67   1HB   SER   9          2HB       SER   9  10.859   9.477  -1.102
   68   2HB   SER   9          1HB       SER   9  12.166  10.438  -1.788
   69    HG   SER   9           HG       SER   9  11.090  10.600   0.839
   70    H    LEU  10           H        LEU  10  11.272  13.208   0.200
   71    HA   LEU  10           HA       LEU  10  11.643  15.443  -1.585
   72   1HB   LEU  10          2HB       LEU  10  12.999  15.007   1.087
   73   2HB   LEU  10          1HB       LEU  10  12.660  16.546   0.298
   74    HG   LEU  10           HG       LEU  10  10.529  14.582   1.196
   75   1HD1  LEU  10          1HD1      LEU  10  11.506  15.420   3.191
   76   2HD1  LEU  10          2HD1      LEU  10  10.100  16.447   2.911
   77   3HD1  LEU  10          3HD1      LEU  10  11.714  17.032   2.509
   78   1HD2  LEU  10          1HD2      LEU  10   9.633  15.912  -0.551
   79   2HD2  LEU  10          2HD2      LEU  10  10.506  17.350  -0.021
   80   3HD2  LEU  10          3HD2      LEU  10   9.139  16.751   0.918
   81    H    LYS  11           H        LYS  11  13.702  12.799  -0.532
   82    HA   LYS  11           HA       LYS  11  15.668  13.580  -2.592
   83   1HB   LYS  11          2HB       LYS  11  17.317  12.877  -0.439
   84   2HB   LYS  11          1HB       LYS  11  17.081  14.504  -1.073
   85   1HG   LYS  11          2HG       LYS  11  15.291  14.931   0.491
   86   2HG   LYS  11          1HG       LYS  11  15.294  13.251   1.026
   87   1HD   LYS  11          2HD       LYS  11  17.555  13.510   1.927
   88   2HD   LYS  11          1HD       LYS  11  17.620  15.170   1.335
   89   1HE   LYS  11          2HE       LYS  11  17.013  15.409   3.606
   90   2HE   LYS  11          1HE       LYS  11  15.481  15.546   2.745
   91   1HZ   LYS  11          1HZ       LYS  11  14.827  13.456   3.385
   92   2HZ   LYS  11          2HZ       LYS  11  15.684  13.961   4.762
   93   3HZ   LYS  11          3HZ       LYS  11  16.410  12.906   3.645
   94    HA   PRO  12           HA       PRO  12  15.971   9.242  -3.275
   95   1HB   PRO  12          2HB       PRO  12  18.845   9.066  -3.136
   96   2HB   PRO  12          1HB       PRO  12  17.820   9.121  -4.572
   97   1HG   PRO  12          2HG       PRO  12  19.509  11.203  -3.493
   98   2HG   PRO  12          1HG       PRO  12  18.583  11.208  -4.997
   99   1HD   PRO  12          2HD       PRO  12  18.028  12.723  -2.647
  100   2HD   PRO  12          1HD       PRO  12  16.987  12.559  -4.083
  101    H    ASN  13           H        ASN  13  17.671   7.303  -2.360
  102    HA   ASN  13           HA       ASN  13  18.019   5.927  -0.494
  103   1HB   ASN  13          2HB       ASN  13  19.696   7.827  -0.118
  104   2HB   ASN  13          1HB       ASN  13  18.524   8.495   1.019
  105   1HD2  ASN  13          1HD2      ASN  13  19.449   8.011   3.046
  106   2HD2  ASN  13          2HD2      ASN  13  19.907   6.451   3.535
  107    H    GLU  14           H        GLU  14  15.320   6.699  -0.972
  108    HA   GLU  14           HA       GLU  14  14.254   6.333   1.757
  109   1HB   GLU  14          2HB       GLU  14  13.638   8.701  -0.010
  110   2HB   GLU  14          1HB       GLU  14  12.485   8.138   1.201
  111   1HG   GLU  14          2HG       GLU  14  14.269   8.328   2.930
  112   2HG   GLU  14          1HG       GLU  14  15.340   9.007   1.705
  113    H    CYS  15           H        CYS  15  11.751   6.105   1.548
  114    HA   CYS  15           HA       CYS  15  10.827   5.055  -1.036
  115   1HB   CYS  15          2HB       CYS  15  11.574   3.290   1.267
  116   2HB   CYS  15          1HB       CYS  15  10.149   2.861   0.320
  117    H    GLN  16           H        GLN  16   9.635   7.134  -0.108
  118    HA   GLN  16           HA       GLN  16   7.472   6.340   1.777
  119   1HB   GLN  16          2HB       GLN  16   7.816   9.108   0.644
  120   2HB   GLN  16          1HB       GLN  16   7.145   8.619   2.201
  121   1HG   GLN  16          2HG       GLN  16   9.512   7.736   2.735
  122   2HG   GLN  16          1HG       GLN  16  10.040   8.696   1.354
  123   1HE2  GLN  16          1HE2      GLN  16   8.971   8.858   4.679
  124   2HE2  GLN  16          2HE2      GLN  16   9.098  10.543   4.846
  125    H    ASP  17           H        ASP  17   5.260   6.635   1.190
  126    HA   ASP  17           HA       ASP  17   4.617   7.332  -1.603
  127   1HB   ASP  17          2HB       ASP  17   5.182   4.825  -1.482
  128   2HB   ASP  17          1HB       ASP  17   3.716   4.657  -0.514
  129    H    LEU  18           H        LEU  18   2.561   8.212  -1.718
  130    HA   LEU  18           HA       LEU  18   0.552   9.115  -0.905
  131   1HB   LEU  18          2HB       LEU  18   0.443   6.700   0.912
  132   2HB   LEU  18          1HB       LEU  18  -0.904   7.595   0.208
  133    HG   LEU  18           HG       LEU  18   1.108   5.909  -1.312
  134   1HD1  LEU  18          1HD1      LEU  18  -0.633   4.661  -0.019
  135   2HD1  LEU  18          2HD1      LEU  18  -0.793   4.455  -1.763
  136   3HD1  LEU  18          3HD1      LEU  18  -1.875   5.549  -0.902
  137   1HD2  LEU  18          1HD2      LEU  18   0.528   7.702  -2.757
  138   2HD2  LEU  18          2HD2      LEU  18  -1.141   7.730  -2.188
  139   3HD2  LEU  18          3HD2      LEU  18  -0.579   6.405  -3.207
  140    H    LYS  19           H        LYS  19  -0.296   8.408   1.966
  141    HA   LYS  19           HA       LYS  19   1.600  10.292   3.325
  142   1HB   LYS  19          2HB       LYS  19  -1.387  10.015   3.386
  143   2HB   LYS  19          1HB       LYS  19  -0.571  10.560   4.852
  144   1HG   LYS  19          2HG       LYS  19   0.135  11.843   2.226
  145   2HG   LYS  19          1HG       LYS  19  -1.352  12.321   3.043
  146   1HD   LYS  19          2HD       LYS  19  -0.186  13.075   4.967
  147   2HD   LYS  19          1HD       LYS  19   1.298  12.248   4.492
  148   1HE   LYS  19          2HE       LYS  19   1.564  13.761   2.585
  149   2HE   LYS  19          1HE       LYS  19   0.044  14.561   2.984
  150   1HZ   LYS  19          1HZ       LYS  19   1.124  14.954   5.248
  151   2HZ   LYS  19          2HZ       LYS  19   1.652  15.906   3.943
  152   3HZ   LYS  19          3HZ       LYS  19   2.590  14.593   4.476
  153    H    GLY  20           H        GLY  20   0.348   7.126   3.289
  154   1HA   GLY  20          2HA       GLY  20   0.749   6.671   6.175
  155   2HA   GLY  20          1HA       GLY  20   0.221   5.467   5.002
  156    H    VAL  21           H        VAL  21   2.261   5.598   3.111
  157    HA   VAL  21           HA       VAL  21   4.360   4.141   4.494
  158    HB   VAL  21           HB       VAL  21   4.391   5.144   1.642
  159   1HG1  VAL  21          1HG1      VAL  21   5.813   3.137   1.305
  160   2HG1  VAL  21          2HG1      VAL  21   5.712   2.796   3.032
  161   3HG1  VAL  21          3HG1      VAL  21   6.525   4.255   2.468
  162   1HG2  VAL  21          1HG2      VAL  21   3.472   2.795   1.180
  163   2HG2  VAL  21          2HG2      VAL  21   2.331   3.959   1.853
  164   3HG2  VAL  21          3HG2      VAL  21   3.059   2.736   2.894
  165    H    SER  22           H        SER  22   6.376   4.864   5.088
  166    HA   SER  22           HA       SER  22   7.651   7.206   4.031
  167   1HB   SER  22          2HB       SER  22   6.064   7.511   6.577
  168   2HB   SER  22          1HB       SER  22   7.489   8.500   6.275
  169    HG   SER  22           HG       SER  22   5.031   8.408   4.925
  170    H    HIS  23           H        HIS  23   9.341   5.566   4.050
  171    HA   HIS  23           HA       HIS  23  10.781   5.517   6.624
  172   1HB   HIS  23          2HB       HIS  23   9.355   3.211   5.513
  173   2HB   HIS  23          1HB       HIS  23  11.066   2.872   5.761
  174    HD1  HIS  23           1HD      HIS  23   8.935   5.155   7.918
  175    HD2  HIS  23           2HD      HIS  23  10.887   1.480   8.180
  176    HE1  HIS  23           1HE      HIS  23   8.799   4.442  10.345
  177    HA   PRO  24           HA       PRO  24  14.336   5.939   4.054
  178   1HB   PRO  24          2HB       PRO  24  15.883   3.833   5.265
  179   2HB   PRO  24          1HB       PRO  24  15.996   5.571   5.547
  180   1HG   PRO  24          2HG       PRO  24  14.900   3.549   7.286
  181   2HG   PRO  24          1HG       PRO  24  15.097   5.275   7.601
  182   1HD   PRO  24          2HD       PRO  24  12.644   3.872   7.155
  183   2HD   PRO  24          1HD       PRO  24  12.864   5.631   7.324
  184    H    LEU  25           H        LEU  25  15.628   4.806   2.372
  185    HA   LEU  25           HA       LEU  25  14.184   3.031   0.760
  186   1HB   LEU  25          2HB       LEU  25  16.430   4.338   0.331
  187   2HB   LEU  25          1HB       LEU  25  17.187   2.837   0.859
  188    HG   LEU  25           HG       LEU  25  15.155   3.079  -1.381
  189   1HD1  LEU  25          1HD1      LEU  25  17.247   4.040  -2.091
  190   2HD1  LEU  25          2HD1      LEU  25  17.160   2.421  -2.783
  191   3HD1  LEU  25          3HD1      LEU  25  18.164   2.721  -1.363
  192   1HD2  LEU  25          1HD2      LEU  25  16.081   0.682  -1.794
  193   2HD2  LEU  25          2HD2      LEU  25  14.910   0.903  -0.495
  194   3HD2  LEU  25          3HD2      LEU  25  16.628   0.765  -0.120
  195    H    ASN  26           H        ASN  26  13.273   1.382   2.112
  196    HA   ASN  26           HA       ASN  26  14.865  -0.335   3.767
  197   1HB   ASN  26          2HB       ASN  26  12.113  -0.615   2.549
  198   2HB   ASN  26          1HB       ASN  26  12.823  -1.867   3.569
  199   1HD2  ASN  26          1HD2      ASN  26  10.890  -1.237   5.025
  200   2HD2  ASN  26          2HD2      ASN  26  11.116   0.056   6.101
  201    H    SER  27           H        SER  27  12.955  -1.795   1.210
  202    HA   SER  27           HA       SER  27  15.150  -2.542  -0.496
  203   1HB   SER  27          2HB       SER  27  15.266  -4.939   0.123
  204   2HB   SER  27          1HB       SER  27  15.802  -3.904   1.443
  205    HG   SER  27           HG       SER  27  13.376  -4.052   1.976
  206    H    VAL  28           H        VAL  28  14.108  -5.109  -1.234
  207    HA   VAL  28           HA       VAL  28  11.489  -4.271  -2.405
  208    HB   VAL  28           HB       VAL  28  12.115  -6.221  -4.021
  209   1HG1  VAL  28          1HG1      VAL  28  13.305  -4.687  -5.454
  210   2HG1  VAL  28          2HG1      VAL  28  13.838  -3.732  -4.071
  211   3HG1  VAL  28          3HG1      VAL  28  12.136  -3.744  -4.531
  212   1HG2  VAL  28          1HG2      VAL  28  14.860  -5.520  -2.952
  213   2HG2  VAL  28          2HG2      VAL  28  14.474  -6.710  -4.195
  214   3HG2  VAL  28          3HG2      VAL  28  13.992  -6.994  -2.522
  215    H    TRP  29           H        TRP  29   9.705  -5.475  -1.856
  216    HA   TRP  29           HA       TRP  29  10.120  -8.208  -0.752
  217   1HB   TRP  29          2HB       TRP  29   8.589  -7.721   1.128
  218   2HB   TRP  29          1HB       TRP  29  10.030  -6.708   1.196
  219    HD1  TRP  29           HD       TRP  29   6.289  -6.576   0.500
  220    HE1  TRP  29           1HE      TRP  29   5.525  -4.114   0.491
  221    HE3  TRP  29           3HE      TRP  29  10.826  -4.240   0.765
  222    HZ2  TRP  29           2HZ      TRP  29   6.683  -1.499   0.581
  223    HZ3  TRP  29           3HZ      TRP  29  10.963  -1.766   0.805
  224    HH2  TRP  29           HH       TRP  29   8.901  -0.395   0.712
  225    H    LYS  30           H        LYS  30   8.513  -9.616  -1.311
  226    HA   LYS  30           HA       LYS  30   6.047  -8.509  -2.584
  227   1HB   LYS  30          2HB       LYS  30   7.936 -10.613  -3.647
  228   2HB   LYS  30          1HB       LYS  30   6.254 -10.528  -4.175
  229   1HG   LYS  30          2HG       LYS  30   6.538  -8.333  -5.063
  230   2HG   LYS  30          1HG       LYS  30   8.091  -8.129  -4.254
  231   1HD   LYS  30          2HD       LYS  30   8.440  -8.612  -6.631
  232   2HD   LYS  30          1HD       LYS  30   9.038  -9.948  -5.647
  233   1HE   LYS  30          2HE       LYS  30   7.223 -11.335  -6.204
  234   2HE   LYS  30          1HE       LYS  30   6.219  -9.976  -6.712
  235   1HZ   LYS  30          1HZ       LYS  30   7.566  -9.665  -8.631
  236   2HZ   LYS  30          2HZ       LYS  30   7.148 -11.309  -8.566
  237   3HZ   LYS  30          3HZ       LYS  30   8.704 -10.807  -8.105
  238    H    THR  31           H        THR  31   4.202  -9.946  -2.413
  239    HA   THR  31           HA       THR  31   4.513 -11.977  -0.229
  240    HB   THR  31           HB       THR  31   2.204 -11.510   0.368
  241    HG1  THR  31           1HG      THR  31   1.489 -11.049  -1.760
  242   1HG2  THR  31          1HG2      THR  31   4.002  -9.113   0.017
  243   2HG2  THR  31          2HG2      THR  31   3.689 -10.043   1.482
  244   3HG2  THR  31          3HG2      THR  31   2.440  -8.987   0.824
  245    H    LYS  32           H        LYS  32   2.317 -13.452  -0.417
  246    HA   LYS  32           HA       LYS  32   2.420 -14.586  -3.186
  247   1HB   LYS  32          2HB       LYS  32   3.197 -16.006  -1.214
  248   2HB   LYS  32          1HB       LYS  32   1.520 -16.006  -0.669
  249   1HG   LYS  32          2HG       LYS  32   0.917 -16.846  -3.014
  250   2HG   LYS  32          1HG       LYS  32   2.641 -17.147  -3.233
  251   1HD   LYS  32          2HD       LYS  32   0.897 -18.311  -1.041
  252   2HD   LYS  32          1HD       LYS  32   1.533 -19.185  -2.436
  253   1HE   LYS  32          2HE       LYS  32   3.862 -18.399  -1.596
  254   2HE   LYS  32          1HE       LYS  32   3.037 -18.067  -0.074
  255   1HZ   LYS  32          1HZ       LYS  32   3.359 -20.207   0.372
  256   2HZ   LYS  32          2HZ       LYS  32   3.787 -20.577  -1.231
  257   3HZ   LYS  32          3HZ       LYS  32   2.152 -20.542  -0.770
  258    H    ASP  33           H        ASP  33   0.709 -13.442  -4.137
  259    HA   ASP  33           HA       ASP  33  -1.530 -13.020  -4.678
  260   1HB   ASP  33          2HB       ASP  33  -1.589 -15.570  -4.091
  261   2HB   ASP  33          1HB       ASP  33  -2.385 -15.035  -2.610
  262    H    CYS  34           H        CYS  34  -0.460 -11.213  -2.950
  263    HA   CYS  34           HA       CYS  34  -2.819 -10.430  -1.378
  264   1HB   CYS  34          2HB       CYS  34  -0.124 -10.953  -0.100
  265   2HB   CYS  34          1HB       CYS  34  -1.394 -10.000   0.668
  266    H    GLU  35           H        GLU  35   0.629  -9.622  -1.848
  267    HA   GLU  35           HA       GLU  35  -0.106  -7.059  -3.051
  268   1HB   GLU  35          2HB       GLU  35  -0.340  -6.425  -0.727
  269   2HB   GLU  35          1HB       GLU  35   1.198  -7.181  -0.316
  270   1HG   GLU  35          2HG       GLU  35   2.451  -5.536  -1.451
  271   2HG   GLU  35          1HG       GLU  35   1.055  -4.982  -2.374
  272    H    GLU  36           H        GLU  36   1.839  -5.887  -3.797
  273    HA   GLU  36           HA       GLU  36   4.398  -7.359  -3.697
  274   1HB   GLU  36          2HB       GLU  36   2.916  -6.796  -6.285
  275   2HB   GLU  36          1HB       GLU  36   4.590  -7.344  -6.187
  276   1HG   GLU  36          2HG       GLU  36   3.708  -9.317  -4.813
  277   2HG   GLU  36          1HG       GLU  36   2.097  -8.827  -5.337
  278    H    CYS  37           H        CYS  37   5.431  -5.572  -2.794
  279    HA   CYS  37           HA       CYS  37   5.341  -3.044  -4.390
  280   1HB   CYS  37          2HB       CYS  37   5.401  -3.526  -1.427
  281   2HB   CYS  37          1HB       CYS  37   6.070  -2.034  -2.088
  282    H    THR  38           H        THR  38   7.242  -2.283  -5.119
  283    HA   THR  38           HA       THR  38   9.767  -3.448  -4.007
  284    HB   THR  38           HB       THR  38  10.693  -3.466  -6.265
  285    HG1  THR  38           1HG      THR  38   9.790  -2.352  -7.779
  286   1HG2  THR  38          1HG2      THR  38   9.403  -5.445  -5.523
  287   2HG2  THR  38          2HG2      THR  38   9.284  -5.208  -7.267
  288   3HG2  THR  38          3HG2      THR  38   7.944  -4.740  -6.221
  289    H    CYS  39           H        CYS  39  11.608  -1.971  -4.139
  290    HA   CYS  39           HA       CYS  39  10.743   0.895  -4.246
  291   1HB   CYS  39          2HB       CYS  39  12.579  -0.642  -2.491
  292   2HB   CYS  39          1HB       CYS  39  13.148   0.960  -2.962
  293    H    GLY  40           H        GLY  40  11.127   1.278  -6.460
  294   1HA   GLY  40          2HA       GLY  40  13.663   0.513  -7.695
  295   2HA   GLY  40          1HA       GLY  40  12.410   1.509  -8.437
  296    H    GLN  41           H        GLN  41  15.503   1.735  -7.720
  297    HA   GLN  41           HA       GLN  41  15.871   3.957  -6.028
  298   1HB   GLN  41          2HB       GLN  41  17.423   3.270  -8.541
  299   2HB   GLN  41          1HB       GLN  41  17.981   4.327  -7.244
  300   1HG   GLN  41          2HG       GLN  41  17.337   2.138  -5.783
  301   2HG   GLN  41          1HG       GLN  41  17.764   1.356  -7.304
  302   1HE2  GLN  41          1HE2      GLN  41  19.105   2.335  -4.418
  303   2HE2  GLN  41          2HE2      GLN  41  20.711   2.561  -4.918
  304    H    ASP  42           H        ASP  42  14.038   3.880  -8.803
  305    HA   ASP  42           HA       ASP  42  14.339   6.840  -9.165
  306   1HB   ASP  42          2HB       ASP  42  13.536   4.890 -11.339
  307   2HB   ASP  42          1HB       ASP  42  13.949   6.595 -11.521
  308    H    ALA  43           H        ALA  43  12.254   4.085  -8.764
  309    HA   ALA  43           HA       ALA  43  10.009   5.854  -8.148
  310   1HB   ALA  43          1HB       ALA  43   9.756   3.933 -10.482
  311   2HB   ALA  43          2HB       ALA  43   9.885   5.685 -10.635
  312   3HB   ALA  43          3HB       ALA  43   8.482   4.970  -9.839
  313    H    ILE  44           H        ILE  44   8.134   4.578  -7.327
  314    HA   ILE  44           HA       ILE  44   9.038   1.943  -6.224
  315    HB   ILE  44           HB       ILE  44   6.854   3.746  -5.142
  316   1HG1  ILE  44          2HG1      ILE  44   9.802   3.571  -4.453
  317   2HG1  ILE  44          1HG1      ILE  44   8.910   4.996  -4.988
  318   1HG2  ILE  44          1HG2      ILE  44   8.445   1.571  -3.764
  319   2HG2  ILE  44          2HG2      ILE  44   6.914   1.255  -4.582
  320   3HG2  ILE  44          3HG2      ILE  44   6.965   2.349  -3.199
  321   1HD1  ILE  44          1HD1      ILE  44   9.094   5.259  -2.638
  322   2HD1  ILE  44          2HD1      ILE  44   8.723   3.562  -2.337
  323   3HD1  ILE  44          3HD1      ILE  44   7.456   4.657  -2.888
  324    H    SER  45           H        SER  45   7.924   0.176  -6.939
  325    HA   SER  45           HA       SER  45   5.365   0.659  -8.411
  326   1HB   SER  45          2HB       SER  45   6.934  -1.890  -8.621
  327   2HB   SER  45          1HB       SER  45   5.874  -1.134  -9.807
  328    HG   SER  45           HG       SER  45   7.779  -0.538 -10.561
  329    H    CYS  46           H        CYS  46   3.544  -0.050  -7.454
  330    HA   CYS  46           HA       CYS  46   3.739  -2.313  -5.507
  331   1HB   CYS  46          2HB       CYS  46   2.460   0.386  -5.186
  332   2HB   CYS  46          1HB       CYS  46   1.762  -1.005  -4.357
  333    H    CYS  47           H        CYS  47   2.304  -3.916  -5.931
  334    HA   CYS  47           HA       CYS  47  -0.061  -3.276  -7.656
  335   1HB   CYS  47          2HB       CYS  47   1.343  -5.937  -7.796
  336   2HB   CYS  47          1HB       CYS  47   0.307  -5.164  -8.996
  337    H    ASN  48           H        ASN  48  -1.970  -4.015  -6.833
  338    HA   ASN  48           HA       ASN  48  -1.836  -5.827  -4.452
  339   1HB   ASN  48          2HB       ASN  48  -4.195  -4.868  -4.054
  340   2HB   ASN  48          1HB       ASN  48  -2.833  -3.780  -3.783
  341   1HD2  ASN  48          1HD2      ASN  48  -2.497  -2.035  -5.310
  342   2HD2  ASN  48          2HD2      ASN  48  -3.659  -1.631  -6.480
  343    H    THR  49           H        THR  49  -3.356  -7.562  -4.334
  344    HA   THR  49           HA       THR  49  -4.803  -8.175  -6.884
  345    HB   THR  49           HB       THR  49  -4.067 -10.442  -6.829
  346    HG1  THR  49           1HG      THR  49  -3.908  -9.980  -4.239
  347   1HG2  THR  49          1HG2      THR  49  -1.633  -8.871  -5.966
  348   2HG2  THR  49          2HG2      THR  49  -2.381  -8.675  -7.551
  349   3HG2  THR  49          3HG2      THR  49  -1.701 -10.233  -7.084
  350    H    ALA  50           H        ALA  50  -4.930  -7.828  -3.516
  351    HA   ALA  50           HA       ALA  50  -7.065  -9.768  -3.038
  352   1HB   ALA  50          1HB       ALA  50  -5.556  -9.112  -1.212
  353   2HB   ALA  50          2HB       ALA  50  -7.216  -8.672  -0.817
  354   3HB   ALA  50          3HB       ALA  50  -6.082  -7.436  -1.363
  355    H    ALA  51           H        ALA  51  -9.216  -8.919  -2.125
  356    HA   ALA  51           HA       ALA  51 -10.691  -7.538  -4.038
  357   1HB   ALA  51          1HB       ALA  51 -12.421  -7.361  -2.439
  358   2HB   ALA  51          2HB       ALA  51 -11.287  -7.182  -1.101
  359   3HB   ALA  51          3HB       ALA  51 -11.488  -8.750  -1.882
  360    H    ILE  52           H        ILE  52 -11.755  -5.294  -3.665
  361    HA   ILE  52           HA       ILE  52  -9.719  -3.355  -2.652
  362    HB   ILE  52           HB       ILE  52 -11.407  -2.971  -5.137
  363   1HG1  ILE  52          2HG1      ILE  52  -9.053  -3.195  -6.230
  364   2HG1  ILE  52          1HG1      ILE  52  -8.602  -4.024  -4.743
  365   1HG2  ILE  52          1HG2      ILE  52  -8.984  -1.471  -4.104
  366   2HG2  ILE  52          2HG2      ILE  52 -10.652  -0.929  -3.906
  367   3HG2  ILE  52          3HG2      ILE  52  -9.953  -1.060  -5.520
  368   1HD1  ILE  52          1HD1      ILE  52  -9.544  -5.919  -5.507
  369   2HD1  ILE  52          2HD1      ILE  52  -9.976  -5.095  -7.002
  370   3HD1  ILE  52          3HD1      ILE  52 -11.105  -5.109  -5.649
  371    HA   PRO  53           HA       PRO  53 -13.292  -1.987  -0.314
  372   1HB   PRO  53          2HB       PRO  53 -12.188   0.656  -0.027
  373   2HB   PRO  53          1HB       PRO  53 -12.244  -0.641   1.168
  374   1HG   PRO  53          2HG       PRO  53  -9.961   0.335  -0.282
  375   2HG   PRO  53          1HG       PRO  53 -10.013  -0.931   0.947
  376   1HD   PRO  53          2HD       PRO  53  -9.584  -1.253  -1.872
  377   2HD   PRO  53          1HD       PRO  53  -9.725  -2.535  -0.643
  378    H    THR  54           H        THR  54 -15.215  -0.995  -0.905
  379    HA   THR  54           HA       THR  54 -15.152   1.134  -2.982
  380    HB   THR  54           HB       THR  54 -16.539   0.015  -4.487
  381    HG1  THR  54           1HG      THR  54 -17.239  -1.579  -2.259
  382   1HG2  THR  54          1HG2      THR  54 -15.528  -2.093  -4.944
  383   2HG2  THR  54          2HG2      THR  54 -15.143  -2.358  -3.244
  384   3HG2  THR  54          3HG2      THR  54 -14.276  -1.127  -4.164
  385    H    GLY  55           H        GLY  55 -17.734   1.656  -3.345
  386   1HA   GLY  55          2HA       GLY  55 -19.699   2.480  -2.356
  387   2HA   GLY  55          1HA       GLY  55 -19.382   1.421  -0.982
  388    H    TYR  56           H        TYR  56 -16.668   2.587  -0.576
  389    HA   TYR  56           HA       TYR  56 -17.470   4.748   1.182
  390   1HB   TYR  56          2HB       TYR  56 -15.465   4.355   2.154
  391   2HB   TYR  56          1HB       TYR  56 -15.294   3.015   1.025
  392    HD1  TYR  56           1HD      TYR  56 -13.751   3.120  -0.812
  393    HD2  TYR  56           2HD      TYR  56 -14.498   6.594   1.603
  394    HE1  TYR  56           1HE      TYR  56 -11.823   4.269  -1.866
  395    HE2  TYR  56           2HE      TYR  56 -12.572   7.742   0.548
  396    HH   TYR  56           HH       TYR  56 -11.303   7.114  -2.135
  397    H    ASP  57           H        ASP  57 -17.630   6.874   0.660
  398    HA   ASP  57           HA       ASP  57 -17.314   7.845  -1.989
  399   1HB   ASP  57          2HB       ASP  57 -17.450  10.112  -0.941
  400   2HB   ASP  57          1HB       ASP  57 -18.711   9.017  -0.372
  401    H    THR  58           H        THR  58 -15.507   8.404  -3.105
  402    HA   THR  58           HA       THR  58 -12.912   8.432  -1.687
  403    HB   THR  58           HB       THR  58 -11.909   8.233  -3.824
  404    HG1  THR  58           1HG      THR  58 -12.673   9.364  -5.396
  405   1HG2  THR  58          1HG2      THR  58 -13.278   6.255  -3.118
  406   2HG2  THR  58          2HG2      THR  58 -13.085   6.385  -4.867
  407   3HG2  THR  58          3HG2      THR  58 -14.601   6.873  -4.108
  408    H    ASN  59           H        ASN  59 -13.848  10.530  -0.617
  409    HA   ASN  59           HA       ASN  59 -13.708  12.915  -2.333
  410   1HB   ASN  59          2HB       ASN  59 -15.337  12.739  -0.444
  411   2HB   ASN  59          1HB       ASN  59 -13.979  12.724   0.682
  412   1HD2  ASN  59          1HD2      ASN  59 -16.203  14.795  -0.721
  413   2HD2  ASN  59          2HD2      ASN  59 -15.338  16.250  -0.592
  414    H    LYS  60           H        LYS  60 -11.752  11.367   0.201
  415    HA   LYS  60           HA       LYS  60  -9.324  12.541  -0.814
  416   1HB   LYS  60          2HB       LYS  60 -10.564  14.462   0.445
  417   2HB   LYS  60          1HB       LYS  60 -10.081  13.603   1.907
  418   1HG   LYS  60          2HG       LYS  60  -7.732  13.752   1.269
  419   2HG   LYS  60          1HG       LYS  60  -8.166  14.490  -0.275
  420   1HD   LYS  60          2HD       LYS  60  -9.278  16.349   1.038
  421   2HD   LYS  60          1HD       LYS  60  -8.552  15.662   2.490
  422   1HE   LYS  60          2HE       LYS  60  -6.308  15.913   1.481
  423   2HE   LYS  60          1HE       LYS  60  -7.041  16.625   0.044
  424   1HZ   LYS  60          1HZ       LYS  60  -7.077  18.577   1.053
  425   2HZ   LYS  60          2HZ       LYS  60  -6.328  17.899   2.419
  426   3HZ   LYS  60          3HZ       LYS  60  -8.023  17.949   2.313
  427    H    CYS  61           H        CYS  61  -9.394  10.024  -0.526
  428    HA   CYS  61           HA       CYS  61  -7.926   9.429   1.979
  429   1HB   CYS  61          2HB       CYS  61 -10.289   7.768   1.054
  430   2HB   CYS  61          1HB       CYS  61  -9.279   7.456   2.466
  431    H    GLN  62           H        GLN  62  -7.012   7.108   1.823
  432    HA   GLN  62           HA       GLN  62  -6.426   6.417  -1.033
  433   1HB   GLN  62          2HB       GLN  62  -4.379   6.069   1.150
  434   2HB   GLN  62          1HB       GLN  62  -4.134   6.172  -0.593
  435   1HG   GLN  62          2HG       GLN  62  -3.470   8.301   0.020
  436   2HG   GLN  62          1HG       GLN  62  -5.186   8.593  -0.254
  437   1HE2  GLN  62          1HE2      GLN  62  -2.672   8.605   2.147
  438   2HE2  GLN  62          2HE2      GLN  62  -3.654   8.999   3.474
  439    H    LYS  63           H        LYS  63  -5.343   4.134  -1.049
  440    HA   LYS  63           HA       LYS  63  -6.842   2.376   0.862
  441   1HB   LYS  63          2HB       LYS  63  -6.051   1.629  -1.962
  442   2HB   LYS  63          1HB       LYS  63  -7.183   0.795  -0.896
  443   1HG   LYS  63          2HG       LYS  63  -8.682   2.762  -0.958
  444   2HG   LYS  63          1HG       LYS  63  -7.563   3.572  -2.055
  445   1HD   LYS  63          2HD       LYS  63  -7.960   2.006  -3.795
  446   2HD   LYS  63          1HD       LYS  63  -8.727   0.859  -2.695
  447   1HE   LYS  63          2HE       LYS  63  -9.888   3.610  -3.134
  448   2HE   LYS  63          1HE       LYS  63 -10.273   2.272  -4.217
  449   1HZ   LYS  63          1HZ       LYS  63 -11.913   2.321  -2.526
  450   2HZ   LYS  63          2HZ       LYS  63 -10.748   2.419  -1.293
  451   3HZ   LYS  63          3HZ       LYS  63 -10.913   0.990  -2.197
  452    H    ILE  64           H        ILE  64  -5.431   1.412   2.219
  453    HA   ILE  64           HA       ILE  64  -2.671   0.821   1.228
  454    HB   ILE  64           HB       ILE  64  -3.791   1.331   3.988
  455   1HG1  ILE  64          2HG1      ILE  64  -2.944   3.154   2.268
  456   2HG1  ILE  64          1HG1      ILE  64  -2.489   3.264   3.967
  457   1HG2  ILE  64          1HG2      ILE  64  -1.186   0.050   3.164
  458   2HG2  ILE  64          2HG2      ILE  64  -2.335  -0.482   4.392
  459   3HG2  ILE  64          3HG2      ILE  64  -1.329   0.938   4.681
  460   1HD1  ILE  64          1HD1      ILE  64  -0.312   2.463   3.567
  461   2HD1  ILE  64          2HD1      ILE  64  -0.616   3.514   2.183
  462   3HD1  ILE  64          3HD1      ILE  64  -0.754   1.765   2.009
  463    H    LEU  65           H        LEU  65  -2.092  -1.290   1.034
  464    HA   LEU  65           HA       LEU  65  -3.985  -3.353   2.067
  465   1HB   LEU  65          2HB       LEU  65  -3.297  -3.173  -0.432
  466   2HB   LEU  65          1HB       LEU  65  -1.756  -3.850   0.092
  467    HG   LEU  65           HG       LEU  65  -4.445  -5.127   0.670
  468   1HD1  LEU  65          1HD1      LEU  65  -2.405  -5.747  -1.487
  469   2HD1  LEU  65          2HD1      LEU  65  -4.029  -5.112  -1.742
  470   3HD1  LEU  65          3HD1      LEU  65  -3.810  -6.743  -1.109
  471   1HD2  LEU  65          1HD2      LEU  65  -2.757  -7.137   0.922
  472   2HD2  LEU  65          2HD2      LEU  65  -2.948  -5.995   2.249
  473   3HD2  LEU  65          3HD2      LEU  65  -1.565  -5.860   1.165
  474    H    ASN  66           H        ASN  66  -3.329  -4.108   4.027
  475    HA   ASN  66           HA       ASN  66  -0.506  -4.079   4.803
  476   1HB   ASN  66          2HB       ASN  66  -3.014  -5.109   6.154
  477   2HB   ASN  66          1HB       ASN  66  -1.410  -5.232   6.877
  478   1HD2  ASN  66          1HD2      ASN  66  -3.683  -3.603   7.884
  479   2HD2  ASN  66          2HD2      ASN  66  -3.145  -1.993   7.884
  480    H    LYS  67           H        LYS  67   0.894  -5.777   4.594
  481    HA   LYS  67           HA       LYS  67  -0.125  -8.254   3.339
  482   1HB   LYS  67          2HB       LYS  67   2.335  -8.805   3.170
  483   2HB   LYS  67          1HB       LYS  67   1.861  -7.331   2.330
  484   1HG   LYS  67          2HG       LYS  67   2.649  -6.954   5.165
  485   2HG   LYS  67          1HG       LYS  67   3.949  -7.472   4.092
  486   1HD   LYS  67          2HD       LYS  67   3.575  -5.598   2.615
  487   2HD   LYS  67          1HD       LYS  67   2.114  -5.137   3.488
  488   1HE   LYS  67          2HE       LYS  67   3.869  -3.678   4.247
  489   2HE   LYS  67          1HE       LYS  67   3.564  -4.831   5.547
  490   1HZ   LYS  67          1HZ       LYS  67   5.533  -5.646   3.581
  491   2HZ   LYS  67          2HZ       LYS  67   5.551  -5.805   5.272
  492   3HZ   LYS  67          3HZ       LYS  67   5.981  -4.328   4.551
  493    H    LYS  68           H        LYS  68   0.333  -7.147   6.450
  494    HA   LYS  68           HA       LYS  68   1.605  -9.311   7.768
  495   1HB   LYS  68          2HB       LYS  68  -0.497  -7.324   8.635
  496   2HB   LYS  68          1HB       LYS  68   0.063  -8.587   9.729
  497   1HG   LYS  68          2HG       LYS  68   1.492  -6.789  10.229
  498   2HG   LYS  68          1HG       LYS  68   2.454  -7.752   9.111
  499   1HD   LYS  68          2HD       LYS  68   1.795  -6.303   7.249
  500   2HD   LYS  68          1HD       LYS  68   0.753  -5.369   8.321
  501   1HE   LYS  68          2HE       LYS  68   2.848  -4.923   9.725
  502   2HE   LYS  68          1HE       LYS  68   3.769  -5.560   8.362
  503   1HZ   LYS  68          1HZ       LYS  68   2.817  -3.893   6.940
  504   2HZ   LYS  68          2HZ       LYS  68   3.515  -3.134   8.291
  505   3HZ   LYS  68          3HZ       LYS  68   1.829  -3.318   8.193
  506    H    THR  69           H        THR  69  -1.860  -8.796   7.055
  507    HA   THR  69           HA       THR  69  -2.233 -11.756   7.317
  508    HB   THR  69           HB       THR  69  -4.558 -11.182   8.198
  509    HG1  THR  69           1HG      THR  69  -3.359  -8.684   8.017
  510   1HG2  THR  69          1HG2      THR  69  -2.092 -10.452   9.797
  511   2HG2  THR  69          2HG2      THR  69  -2.863 -12.035   9.700
  512   3HG2  THR  69          3HG2      THR  69  -3.688 -10.701  10.507
  513    H    CYS  70           H        CYS  70  -1.868  -9.844   4.988
  514    HA   CYS  70           HA       CYS  70  -2.853  -9.447   2.888
  515   1HB   CYS  70          2HB       CYS  70  -4.126 -12.097   3.640
  516   2HB   CYS  70          1HB       CYS  70  -4.199 -11.384   2.028
  517    H    THR  71           H        THR  71  -4.054  -7.592   3.806
  518    HA   THR  71           HA       THR  71  -6.970  -8.001   3.523
  519    HB   THR  71           HB       THR  71  -7.254  -8.066   5.781
  520    HG1  THR  71           1HG      THR  71  -7.743  -5.851   5.205
  521   1HG2  THR  71          1HG2      THR  71  -5.420  -7.325   7.364
  522   2HG2  THR  71          2HG2      THR  71  -4.440  -6.965   5.942
  523   3HG2  THR  71          3HG2      THR  71  -4.966  -8.619   6.256
  524    H    TYR  72           H        TYR  72  -8.096  -5.808   3.493
  525    HA   TYR  72           HA       TYR  72  -6.263  -3.784   2.265
  526   1HB   TYR  72          2HB       TYR  72  -8.781  -4.913   1.413
  527   2HB   TYR  72          1HB       TYR  72  -8.975  -3.176   1.645
  528    HD1  TYR  72           1HD      TYR  72  -7.497  -5.790  -0.396
  529    HD2  TYR  72           2HD      TYR  72  -7.411  -1.584   0.470
  530    HE1  TYR  72           1HE      TYR  72  -6.302  -5.375  -2.530
  531    HE2  TYR  72           2HE      TYR  72  -6.215  -1.170  -1.663
  532    HH   TYR  72           HH       TYR  72  -6.170  -2.952  -4.120
  533    H    THR  73           H        THR  73  -6.588  -1.568   2.820
  534    HA   THR  73           HA       THR  73  -8.446  -0.969   5.052
  535    HB   THR  73           HB       THR  73  -6.705  -0.002   6.435
  536    HG1  THR  73           1HG      THR  73  -5.024  -0.741   4.279
  537   1HG2  THR  73          1HG2      THR  73  -5.698  -2.696   5.500
  538   2HG2  THR  73          2HG2      THR  73  -7.133  -2.502   6.506
  539   3HG2  THR  73          3HG2      THR  73  -5.556  -1.994   7.111
  540    H    VAL  74           H        VAL  74  -8.353   1.496   5.492
  541    HA   VAL  74           HA       VAL  74  -7.588   3.012   3.039
  542    HB   VAL  74           HB       VAL  74 -10.231   3.502   4.410
  543   1HG1  VAL  74          1HG1      VAL  74  -9.052   5.118   2.754
  544   2HG1  VAL  74          2HG1      VAL  74 -10.745   4.728   2.459
  545   3HG1  VAL  74          3HG1      VAL  74  -9.482   3.936   1.519
  546   1HG2  VAL  74          1HG2      VAL  74  -9.573   1.516   2.222
  547   2HG2  VAL  74          2HG2      VAL  74 -11.199   2.151   2.466
  548   3HG2  VAL  74          3HG2      VAL  74 -10.421   1.212   3.738
  549    H    VAL  75           H        VAL  75  -6.341   4.685   3.668
  550    HA   VAL  75           HA       VAL  75  -6.707   5.782   6.430
  551    HB   VAL  75           HB       VAL  75  -4.363   6.695   6.038
  552   1HG1  VAL  75          1HG1      VAL  75  -4.871   3.708   6.021
  553   2HG1  VAL  75          2HG1      VAL  75  -4.651   4.745   7.431
  554   3HG1  VAL  75          3HG1      VAL  75  -3.295   4.425   6.350
  555   1HG2  VAL  75          1HG2      VAL  75  -4.571   6.411   3.511
  556   2HG2  VAL  75          2HG2      VAL  75  -4.343   4.682   3.775
  557   3HG2  VAL  75          3HG2      VAL  75  -3.068   5.818   4.218
  558    H    GLU  76           H        GLU  76  -6.079   8.200   6.526
  559    HA   GLU  76           HA       GLU  76  -7.351   9.587   4.199
  560   1HB   GLU  76          2HB       GLU  76  -8.076   9.677   6.855
  561   2HB   GLU  76          1HB       GLU  76  -7.040  11.097   6.721
  562   1HG   GLU  76          2HG       GLU  76  -8.371  11.819   4.725
  563   2HG   GLU  76          1HG       GLU  76  -9.461  10.460   5.008
  564    H    LYS  77           H        LYS  77  -6.243  11.303   3.236
  565    HA   LYS  77           HA       LYS  77  -3.399  11.341   3.410
  566   1HB   LYS  77          2HB       LYS  77  -5.378  13.340   2.289
  567   2HB   LYS  77          1HB       LYS  77  -3.634  13.546   2.145
  568   1HG   LYS  77          2HG       LYS  77  -5.016  11.011   1.251
  569   2HG   LYS  77          1HG       LYS  77  -4.840  12.399   0.179
  570   1HD   LYS  77          2HD       LYS  77  -2.313  12.292   0.838
  571   2HD   LYS  77          1HD       LYS  77  -2.690  10.653   1.366
  572   1HE   LYS  77          2HE       LYS  77  -2.026  10.351  -0.869
  573   2HE   LYS  77          1HE       LYS  77  -3.785  10.385  -0.977
  574   1HZ   LYS  77          1HZ       LYS  77  -2.256  12.887  -1.219
  575   2HZ   LYS  77          2HZ       LYS  77  -3.785  12.497  -1.847
  576   3HZ   LYS  77          3HZ       LYS  77  -2.383  11.849  -2.556
  577    H    LYS  78           H        LYS  78  -5.876  13.240   5.051
  578    HA   LYS  78           HA       LYS  78  -3.831  14.964   6.319
  579   1HB   LYS  78          2HB       LYS  78  -6.130  15.773   5.507
  580   2HB   LYS  78          1HB       LYS  78  -6.794  14.925   6.904
  581   1HG   LYS  78          2HG       LYS  78  -4.650  16.392   7.961
  582   2HG   LYS  78          1HG       LYS  78  -5.383  17.488   6.793
  583   1HD   LYS  78          2HD       LYS  78  -6.608  17.920   8.745
  584   2HD   LYS  78          1HD       LYS  78  -7.641  16.776   7.891
  585   1HE   LYS  78          2HE       LYS  78  -6.754  14.929   9.232
  586   2HE   LYS  78          1HE       LYS  78  -5.639  16.028  10.044
  587   1HZ   LYS  78          1HZ       LYS  78  -8.158  15.413  10.865
  588   2HZ   LYS  78          2HZ       LYS  78  -8.351  16.936  10.139
  589   3HZ   LYS  78          3HZ       LYS  78  -7.233  16.730  11.402
  590    H    ASP  79           H        ASP  79  -4.898  11.907   6.853
  591    HA   ASP  79           HA       ASP  79  -4.171  12.064   9.722
  592   1HB   ASP  79          2HB       ASP  79  -6.740  12.267   9.377
  593   2HB   ASP  79          1HB       ASP  79  -6.667  10.558   8.948
  594    HA   PRO  80           HA       PRO  80  -2.556   8.385   7.318
  595   1HB   PRO  80          2HB       PRO  80  -0.020   8.866   8.595
  596   2HB   PRO  80          1HB       PRO  80  -0.434   9.030   6.888
  597   1HG   PRO  80          2HG       PRO  80   0.123  11.124   8.737
  598   2HG   PRO  80          1HG       PRO  80  -0.395  11.285   7.057
  599   1HD   PRO  80          2HD       PRO  80  -1.932  11.783   9.479
  600   2HD   PRO  80          1HD       PRO  80  -2.397  12.098   7.789
  601    H    GLY  81           H        GLY  81  -3.832   8.729  10.100
  602   1HA   GLY  81          2HA       GLY  81  -2.570   6.306  11.315
  603   2HA   GLY  81          1HA       GLY  81  -2.984   7.693  12.321
  604    H    LYS  82           H        LYS  82  -5.451   8.398  11.138
  605    HA   LYS  82           HA       LYS  82  -7.142   6.253  12.247
  606   1HB   LYS  82          2HB       LYS  82  -7.874   8.971  11.111
  607   2HB   LYS  82          1HB       LYS  82  -8.978   7.880  11.949
  608   1HG   LYS  82          2HG       LYS  82  -7.416   7.970  13.936
  609   2HG   LYS  82          1HG       LYS  82  -6.532   9.247  13.100
  610   1HD   LYS  82          2HD       LYS  82  -8.831  10.421  12.883
  611   2HD   LYS  82          1HD       LYS  82  -9.370   9.293  14.126
  612   1HE   LYS  82          2HE       LYS  82  -7.271  11.446  14.319
  613   2HE   LYS  82          1HE       LYS  82  -8.652  11.151  15.377
  614   1HZ   LYS  82          1HZ       LYS  82  -6.477   9.173  15.095
  615   2HZ   LYS  82          2HZ       LYS  82  -7.621   9.321  16.343
  616   3HZ   LYS  82          3HZ       LYS  82  -6.363  10.454  16.200
  617    H    THR  83           H        THR  83  -8.874   5.269  11.022
  618    HA   THR  83           HA       THR  83  -8.151   4.818   8.215
  619    HB   THR  83           HB       THR  83  -9.957   3.150   8.254
  620    HG1  THR  83           1HG      THR  83 -10.433   3.722  10.946
  621   1HG2  THR  83          1HG2      THR  83  -7.835   2.419   9.144
  622   2HG2  THR  83          2HG2      THR  83  -9.106   1.772  10.181
  623   3HG2  THR  83          3HG2      THR  83  -8.173   3.176  10.700
  624    H    CYS  84           H        CYS  84  -9.468   5.352   6.421
  625    HA   CYS  84           HA       CYS  84 -11.124   7.739   6.795
  626   1HB   CYS  84          2HB       CYS  84  -9.653   7.584   4.843
  627   2HB   CYS  84          1HB       CYS  84 -10.472   6.114   4.318
  628    H    ASP  85           H        ASP  85 -13.303   7.748   5.522
  629    HA   ASP  85           HA       ASP  85 -15.136   6.019   6.786
  630   1HB   ASP  85          2HB       ASP  85 -15.308   7.635   4.238
  631   2HB   ASP  85          1HB       ASP  85 -16.677   6.696   4.837
  632    H    VAL  86           H        VAL  86 -16.060   4.048   6.212
  633    HA   VAL  86           HA       VAL  86 -15.052   2.742   3.715
  634    HB   VAL  86           HB       VAL  86 -15.462   1.254   6.310
  635   1HG1  VAL  86          1HG1      VAL  86 -13.888  -0.339   5.160
  636   2HG1  VAL  86          2HG1      VAL  86 -13.984   0.684   3.727
  637   3HG1  VAL  86          3HG1      VAL  86 -15.427  -0.133   4.325
  638   1HG2  VAL  86          1HG2      VAL  86 -12.926   2.531   5.242
  639   2HG2  VAL  86          2HG2      VAL  86 -12.974   1.365   6.564
  640   3HG2  VAL  86          3HG2      VAL  86 -13.751   2.938   6.746
  641    H    THR  87           H        THR  87 -16.472   0.857   3.086
  642    HA   THR  87           HA       THR  87 -19.251   1.072   4.127
  643    HB   THR  87           HB       THR  87 -18.605   1.098   1.170
  644    HG1  THR  87           1HG      THR  87 -18.231   3.042   2.753
  645   1HG2  THR  87          1HG2      THR  87 -20.783   0.124   1.802
  646   2HG2  THR  87          2HG2      THR  87 -20.994   1.661   0.963
  647   3HG2  THR  87          3HG2      THR  87 -21.167   1.583   2.716
  648    H    GLY  88           H        GLY  88 -17.029  -0.649   1.944
  649   1HA   GLY  88          2HA       GLY  88 -17.527  -3.203   3.085
  650   2HA   GLY  88          1HA       GLY  88 -18.588  -3.021   1.687
  651    H    TRP  89           H        TRP  89 -16.943  -4.985   1.261
  652    HA   TRP  89           HA       TRP  89 -14.665  -3.858  -0.332
  653   1HB   TRP  89          2HB       TRP  89 -14.698  -6.685   0.704
  654   2HB   TRP  89          1HB       TRP  89 -13.317  -5.680   0.263
  655    HD1  TRP  89           HD       TRP  89 -13.211  -3.312   1.916
  656    HE1  TRP  89           1HE      TRP  89 -13.325  -3.278   4.492
  657    HE3  TRP  89           3HE      TRP  89 -15.425  -7.836   2.763
  658    HZ2  TRP  89           2HZ      TRP  89 -14.235  -4.950   6.628
  659    HZ3  TRP  89           3HZ      TRP  89 -15.902  -8.590   5.074
  660    HH2  TRP  89           HH       TRP  89 -15.311  -7.154   7.007
  661    H    VAL  90           H        VAL  90 -14.138  -5.159  -2.281
  662    HA   VAL  90           HA       VAL  90 -16.336  -6.905  -3.258
  663    HB   VAL  90           HB       VAL  90 -15.349  -4.406  -4.654
  664   1HG1  VAL  90          1HG1      VAL  90 -16.940  -6.769  -5.662
  665   2HG1  VAL  90          2HG1      VAL  90 -15.501  -6.040  -6.376
  666   3HG1  VAL  90          3HG1      VAL  90 -17.042  -5.183  -6.428
  667   1HG2  VAL  90          1HG2      VAL  90 -17.812  -3.899  -4.657
  668   2HG2  VAL  90          2HG2      VAL  90 -17.112  -3.977  -3.040
  669   3HG2  VAL  90          3HG2      VAL  90 -18.059  -5.331  -3.657
  670    H    LEU  91           H        LEU  91 -15.450  -8.673  -4.220
  671    HA   LEU  91           HA       LEU  91 -12.626  -9.014  -4.465
  672   1HB   LEU  91          2HB       LEU  91 -14.515 -10.804  -4.334
  673   2HB   LEU  91          1HB       LEU  91 -14.618 -10.602  -6.083
  674    HG   LEU  91           HG       LEU  91 -11.978 -10.897  -5.940
  675   1HD1  LEU  91          1HD1      LEU  91 -11.229 -12.275  -4.148
  676   2HD1  LEU  91          2HD1      LEU  91 -12.874 -12.588  -3.598
  677   3HD1  LEU  91          3HD1      LEU  91 -12.162 -10.990  -3.383
  678   1HD2  LEU  91          1HD2      LEU  91 -12.375 -13.418  -6.118
  679   2HD2  LEU  91          2HD2      LEU  91 -13.308 -12.413  -7.228
  680   3HD2  LEU  91          3HD2      LEU  91 -14.073 -13.078  -5.784
  Start of MODEL    6
    1   1H    GLN   1          1HT       GLN   1  -4.432  -5.950 -13.052
    2   2H    GLN   1          2HT       GLN   1  -4.556  -5.262 -11.503
    3   3H    GLN   1          3HT       GLN   1  -3.103  -5.991 -11.999
    4    HA   GLN   1           HA       GLN   1  -2.939  -4.287 -13.789
    5   1HB   GLN   1          2HB       GLN   1  -5.096  -2.945 -12.132
    6   2HB   GLN   1          1HB       GLN   1  -4.330  -2.308 -13.588
    7   1HG   GLN   1          2HG       GLN   1  -5.193  -4.421 -14.769
    8   2HG   GLN   1          1HG       GLN   1  -6.211  -4.660 -13.348
    9   1HE2  GLN   1          1HE2      GLN   1  -5.607  -2.485 -16.098
   10   2HE2  GLN   1          2HE2      GLN   1  -7.077  -1.645 -15.975
   11    H    CYS   2           H        CYS   2  -0.899  -4.080 -12.866
   12    HA   CYS   2           HA       CYS   2  -0.591  -3.067 -10.129
   13   1HB   CYS   2          2HB       CYS   2   0.963  -4.756 -11.208
   14   2HB   CYS   2          1HB       CYS   2   1.560  -3.447 -12.229
   15    H    TYR   3           H        TYR   3   0.747  -1.093  -9.714
   16    HA   TYR   3           HA       TYR   3   0.834   0.883 -11.912
   17   1HB   TYR   3          2HB       TYR   3  -0.474   2.545 -10.705
   18   2HB   TYR   3          1HB       TYR   3  -1.447   1.087 -10.900
   19    HD1  TYR   3           1HD      TYR   3  -2.073  -0.273  -9.010
   20    HD2  TYR   3           2HD      TYR   3   0.572   3.073  -8.516
   21    HE1  TYR   3           1HE      TYR   3  -2.331  -0.433  -6.548
   22    HE2  TYR   3           2HE      TYR   3   0.314   2.914  -6.054
   23    HH   TYR   3           HH       TYR   3  -1.710   1.879  -4.484
   24    H    PHE   4           H        PHE   4   2.541   2.285 -11.637
   25    HA   PHE   4           HA       PHE   4   4.045   2.079  -9.057
   26   1HB   PHE   4          2HB       PHE   4   6.039   2.649 -10.327
   27   2HB   PHE   4          1HB       PHE   4   5.228   1.301 -11.125
   28    HD1  PHE   4           1HD      PHE   4   6.164   4.829 -11.354
   29    HD2  PHE   4           2HD      PHE   4   3.902   1.673 -13.190
   30    HE1  PHE   4           1HE      PHE   4   5.978   6.171 -13.432
   31    HE2  PHE   4           2HE      PHE   4   3.717   3.014 -15.269
   32    HZ   PHE   4           HZ       PHE   4   4.756   5.263 -15.389
   33    H    ILE   5           H        ILE   5   4.315   3.916  -7.870
   34    HA   ILE   5           HA       ILE   5   3.331   6.473  -9.063
   35    HB   ILE   5           HB       ILE   5   3.666   5.814  -6.132
   36   1HG1  ILE   5          2HG1      ILE   5   2.047   4.252  -7.047
   37   2HG1  ILE   5          1HG1      ILE   5   1.170   5.503  -6.168
   38   1HG2  ILE   5          1HG2      ILE   5   2.032   7.934  -7.556
   39   2HG2  ILE   5          2HG2      ILE   5   3.588   8.219  -6.772
   40   3HG2  ILE   5          3HG2      ILE   5   2.190   7.735  -5.811
   41   1HD1  ILE   5          1HD1      ILE   5  -0.027   5.320  -8.189
   42   2HD1  ILE   5          2HD1      ILE   5   1.441   5.140  -9.149
   43   3HD1  ILE   5          3HD1      ILE   5   1.021   6.710  -8.467
   44    HA   PRO   6           HA       PRO   6   7.630   7.758  -8.962
   45   1HB   PRO   6          2HB       PRO   6   6.870  10.532  -8.790
   46   2HB   PRO   6          1HB       PRO   6   7.451   9.643 -10.200
   47   1HG   PRO   6          2HG       PRO   6   4.781  10.571  -9.664
   48   2HG   PRO   6          1HG       PRO   6   5.378   9.726 -11.096
   49   1HD   PRO   6          2HD       PRO   6   3.647   8.692  -9.054
   50   2HD   PRO   6          1HD       PRO   6   4.322   7.815 -10.452
   51    H    ASN   7           H        ASN   7   9.024   8.062  -7.239
   52    HA   ASN   7           HA       ASN   7   8.215   8.110  -4.572
   53   1HB   ASN   7          2HB       ASN   7  10.736   9.201  -5.847
   54   2HB   ASN   7          1HB       ASN   7  10.514   9.098  -4.100
   55   1HD2  ASN   7          1HD2      ASN   7  10.337   6.929  -3.137
   56   2HD2  ASN   7          2HD2      ASN   7  10.859   5.555  -3.988
   57    H    GLN   8           H        GLN   8   8.258   9.859  -2.962
   58    HA   GLN   8           HA       GLN   8   7.892  12.599  -4.077
   59   1HB   GLN   8          2HB       GLN   8   6.002  11.486  -1.999
   60   2HB   GLN   8          1HB       GLN   8   5.815  12.935  -2.986
   61   1HG   GLN   8          2HG       GLN   8   4.396  11.378  -4.041
   62   2HG   GLN   8          1HG       GLN   8   5.868  11.306  -5.010
   63   1HE2  GLN   8          1HE2      GLN   8   4.397   9.049  -5.223
   64   2HE2  GLN   8          2HE2      GLN   8   5.027   7.785  -4.282
   65    H    SER   9           H        SER   9   9.593  10.727  -2.063
   66    HA   SER   9           HA       SER   9   9.524  11.958   0.481
   67   1HB   SER   9          2HB       SER   9  10.847   9.993   0.258
   68   2HB   SER   9          1HB       SER   9  11.762  10.667  -1.088
   69    HG   SER   9           HG       SER   9  12.945  10.777   0.852
   70    H    LEU  10           H        LEU  10  11.279  13.461   1.347
   71    HA   LEU  10           HA       LEU  10  11.482  15.786  -0.465
   72   1HB   LEU  10          2HB       LEU  10  12.527  16.790   1.720
   73   2HB   LEU  10          1HB       LEU  10  10.790  16.490   1.655
   74    HG   LEU  10           HG       LEU  10  12.493  14.219   2.561
   75   1HD1  LEU  10          1HD1      LEU  10  12.504  15.151   4.896
   76   2HD1  LEU  10          2HD1      LEU  10  11.996  16.703   4.229
   77   3HD1  LEU  10          3HD1      LEU  10  13.561  16.022   3.784
   78   1HD2  LEU  10          1HD2      LEU  10   9.976  15.367   3.785
   79   2HD2  LEU  10          2HD2      LEU  10  10.584  13.715   3.893
   80   3HD2  LEU  10          3HD2      LEU  10   9.926  14.314   2.371
   81    H    LYS  11           H        LYS  11  13.462  13.240   0.802
   82    HA   LYS  11           HA       LYS  11  15.812  14.453  -0.577
   83   1HB   LYS  11          2HB       LYS  11  15.680  13.341   2.228
   84   2HB   LYS  11          1HB       LYS  11  17.200  13.400   1.336
   85   1HG   LYS  11          2HG       LYS  11  17.030  15.804   1.083
   86   2HG   LYS  11          1HG       LYS  11  15.411  15.805   1.784
   87   1HD   LYS  11          2HD       LYS  11  16.247  15.163   3.938
   88   2HD   LYS  11          1HD       LYS  11  17.846  14.810   3.282
   89   1HE   LYS  11          2HE       LYS  11  18.309  17.113   2.891
   90   2HE   LYS  11          1HE       LYS  11  16.620  17.568   3.120
   91   1HZ   LYS  11          1HZ       LYS  11  17.774  18.122   5.094
   92   2HZ   LYS  11          2HZ       LYS  11  18.528  16.601   5.175
   93   3HZ   LYS  11          3HZ       LYS  11  16.856  16.741   5.448
   94    HA   PRO  12           HA       PRO  12  16.117  10.498  -2.549
   95   1HB   PRO  12          2HB       PRO  12  18.979  10.317  -2.267
   96   2HB   PRO  12          1HB       PRO  12  18.048  10.781  -3.694
   97   1HG   PRO  12          2HG       PRO  12  19.599  12.471  -1.932
   98   2HG   PRO  12          1HG       PRO  12  18.783  12.904  -3.438
   99   1HD   PRO  12          2HD       PRO  12  18.019  13.676  -0.807
  100   2HD   PRO  12          1HD       PRO  12  17.081  13.911  -2.301
  101    H    ASN  13           H        ASN  13  17.729   8.367  -2.139
  102    HA   ASN  13           HA       ASN  13  17.954   6.501  -0.739
  103   1HB   ASN  13          2HB       ASN  13  18.776   8.793   1.051
  104   2HB   ASN  13          1HB       ASN  13  18.836   7.118   1.601
  105   1HD2  ASN  13          1HD2      ASN  13  19.705   8.735  -1.515
  106   2HD2  ASN  13          2HD2      ASN  13  21.257   8.053  -1.600
  107    H    GLU  14           H        GLU  14  15.305   7.488  -1.004
  108    HA   GLU  14           HA       GLU  14  14.185   6.515   1.564
  109   1HB   GLU  14          2HB       GLU  14  13.620   9.181   0.278
  110   2HB   GLU  14          1HB       GLU  14  12.393   8.384   1.267
  111   1HG   GLU  14          2HG       GLU  14  13.997   8.226   3.130
  112   2HG   GLU  14          1HG       GLU  14  15.212   9.044   2.147
  113    H    CYS  15           H        CYS  15  11.882   5.918   1.326
  114    HA   CYS  15           HA       CYS  15  10.834   5.625  -1.404
  115   1HB   CYS  15          2HB       CYS  15  12.310   3.688  -1.302
  116   2HB   CYS  15          1HB       CYS  15  11.643   3.222   0.263
  117    H    GLN  16           H        GLN  16   9.427   7.088   0.074
  118    HA   GLN  16           HA       GLN  16   7.628   5.489   1.827
  119   1HB   GLN  16          2HB       GLN  16   6.844   7.618   2.679
  120   2HB   GLN  16          1HB       GLN  16   8.607   7.652   2.659
  121   1HG   GLN  16          2HG       GLN  16   8.461   8.771   0.388
  122   2HG   GLN  16          1HG       GLN  16   6.725   8.931   0.662
  123   1HE2  GLN  16          1HE2      GLN  16   6.174  10.921   1.546
  124   2HE2  GLN  16          2HE2      GLN  16   7.162  11.842   2.575
  125    H    ASP  17           H        ASP  17   5.238   6.195   1.646
  126    HA   ASP  17           HA       ASP  17   4.424   6.920  -1.105
  127   1HB   ASP  17          2HB       ASP  17   4.687   4.282  -0.599
  128   2HB   ASP  17          1HB       ASP  17   3.060   4.522   0.034
  129    H    LEU  18           H        LEU  18   2.552   8.124  -1.046
  130    HA   LEU  18           HA       LEU  18   0.790   9.344  -0.080
  131   1HB   LEU  18          2HB       LEU  18   0.389   6.913   1.677
  132   2HB   LEU  18          1HB       LEU  18  -0.827   8.063   1.125
  133    HG   LEU  18           HG       LEU  18   0.662   6.018  -0.538
  134   1HD1  LEU  18          1HD1      LEU  18  -2.312   6.489  -0.249
  135   2HD1  LEU  18          2HD1      LEU  18  -1.421   5.403   0.815
  136   3HD1  LEU  18          3HD1      LEU  18  -1.498   5.074  -0.917
  137   1HD2  LEU  18          1HD2      LEU  18   0.601   7.945  -1.933
  138   2HD2  LEU  18          2HD2      LEU  18  -0.998   8.411  -1.355
  139   3HD2  LEU  18          3HD2      LEU  18  -0.815   7.008  -2.407
  140    H    LYS  19           H        LYS  19  -0.036   8.781   2.793
  141    HA   LYS  19           HA       LYS  19   2.254  10.209   4.096
  142   1HB   LYS  19          2HB       LYS  19  -0.100  11.344   3.762
  143   2HB   LYS  19          1HB       LYS  19  -0.569  10.339   5.129
  144   1HG   LYS  19          2HG       LYS  19   0.173  12.254   6.233
  145   2HG   LYS  19          1HG       LYS  19   1.645  11.290   6.212
  146   1HD   LYS  19          2HD       LYS  19   2.207  13.535   5.496
  147   2HD   LYS  19          1HD       LYS  19   2.320  12.471   4.098
  148   1HE   LYS  19          2HE       LYS  19   0.514  13.429   3.052
  149   2HE   LYS  19          1HE       LYS  19  -0.332  13.742   4.569
  150   1HZ   LYS  19          1HZ       LYS  19   1.107  15.547   3.062
  151   2HZ   LYS  19          2HZ       LYS  19   2.066  15.244   4.431
  152   3HZ   LYS  19          3HZ       LYS  19   0.468  15.790   4.614
  153    H    GLY  20           H        GLY  20   0.868   7.249   3.916
  154   1HA   GLY  20          2HA       GLY  20   1.090   6.680   6.839
  155   2HA   GLY  20          1HA       GLY  20   0.287   5.644   5.661
  156    H    VAL  21           H        VAL  21   2.237   5.474   3.671
  157    HA   VAL  21           HA       VAL  21   4.069   3.576   4.892
  158    HB   VAL  21           HB       VAL  21   4.241   4.641   2.072
  159   1HG1  VAL  21          1HG1      VAL  21   5.048   2.340   1.634
  160   2HG1  VAL  21          2HG1      VAL  21   4.864   1.959   3.346
  161   3HG1  VAL  21          3HG1      VAL  21   6.051   3.158   2.832
  162   1HG2  VAL  21          1HG2      VAL  21   2.685   2.688   1.544
  163   2HG2  VAL  21          2HG2      VAL  21   1.927   4.069   2.335
  164   3HG2  VAL  21          3HG2      VAL  21   2.323   2.627   3.269
  165    H    SER  22           H        SER  22   6.346   3.761   5.053
  166    HA   SER  22           HA       SER  22   7.830   6.049   4.142
  167   1HB   SER  22          2HB       SER  22   6.523   7.175   5.926
  168   2HB   SER  22          1HB       SER  22   7.136   6.009   7.096
  169    HG   SER  22           HG       SER  22   9.046   6.949   7.047
  170    H    HIS  23           H        HIS  23   9.523   4.677   3.611
  171    HA   HIS  23           HA       HIS  23  11.030   3.519   5.870
  172   1HB   HIS  23          2HB       HIS  23   9.799   1.905   3.636
  173   2HB   HIS  23          1HB       HIS  23  11.241   1.339   4.476
  174    HD1  HIS  23           1HD      HIS  23   7.572   1.830   4.899
  175    HD2  HIS  23           2HD      HIS  23  10.821   0.722   7.266
  176    HE1  HIS  23           1HE      HIS  23   6.608   0.876   7.038
  177    HA   PRO  24           HA       PRO  24  14.478   4.957   3.489
  178   1HB   PRO  24          2HB       PRO  24  16.084   2.609   3.940
  179   2HB   PRO  24          1HB       PRO  24  16.186   4.175   4.750
  180   1HG   PRO  24          2HG       PRO  24  15.136   1.682   5.779
  181   2HG   PRO  24          1HG       PRO  24  15.372   3.213   6.629
  182   1HD   PRO  24          2HD       PRO  24  12.885   2.048   5.888
  183   2HD   PRO  24          1HD       PRO  24  13.142   3.689   6.528
  184    H    LEU  25           H        LEU  25  15.907   4.284   1.594
  185    HA   LEU  25           HA       LEU  25  14.321   2.908  -0.386
  186   1HB   LEU  25          2HB       LEU  25  16.480   4.710  -0.404
  187   2HB   LEU  25          1HB       LEU  25  17.123   3.238  -1.127
  188    HG   LEU  25           HG       LEU  25  14.504   4.497  -1.989
  189   1HD1  LEU  25          1HD1      LEU  25  17.322   4.886  -3.017
  190   2HD1  LEU  25          2HD1      LEU  25  16.176   6.125  -2.504
  191   3HD1  LEU  25          3HD1      LEU  25  15.898   5.229  -3.998
  192   1HD2  LEU  25          1HD2      LEU  25  14.904   3.087  -4.005
  193   2HD2  LEU  25          2HD2      LEU  25  14.758   2.119  -2.539
  194   3HD2  LEU  25          3HD2      LEU  25  16.349   2.431  -3.235
  195    H    ASN  26           H        ASN  26  16.214   1.408  -1.809
  196    HA   ASN  26           HA       ASN  26  16.887  -0.846  -1.899
  197   1HB   ASN  26          2HB       ASN  26  18.827   0.345  -0.787
  198   2HB   ASN  26          1HB       ASN  26  18.163  -0.170   0.764
  199   1HD2  ASN  26          1HD2      ASN  26  19.739  -1.315  -2.192
  200   2HD2  ASN  26          2HD2      ASN  26  20.052  -2.885  -1.628
  201    H    SER  27           H        SER  27  14.292  -0.381  -0.667
  202    HA   SER  27           HA       SER  27  14.239  -2.662   1.279
  203   1HB   SER  27          2HB       SER  27  12.571  -0.142   1.163
  204   2HB   SER  27          1HB       SER  27  12.094  -1.552   2.105
  205    HG   SER  27           HG       SER  27  14.643  -0.336   2.325
  206    H    VAL  28           H        VAL  28  13.713  -4.319  -0.138
  207    HA   VAL  28           HA       VAL  28  11.301  -3.938  -1.867
  208    HB   VAL  28           HB       VAL  28  12.268  -6.178  -2.846
  209   1HG1  VAL  28          1HG1      VAL  28  12.188  -4.067  -4.088
  210   2HG1  VAL  28          2HG1      VAL  28  13.739  -4.862  -4.358
  211   3HG1  VAL  28          3HG1      VAL  28  13.628  -3.499  -3.246
  212   1HG2  VAL  28          1HG2      VAL  28  13.945  -6.345  -0.949
  213   2HG2  VAL  28          2HG2      VAL  28  14.776  -4.964  -1.664
  214   3HG2  VAL  28          3HG2      VAL  28  14.639  -6.475  -2.564
  215    H    TRP  29           H        TRP  29   9.480  -4.926  -1.129
  216    HA   TRP  29           HA       TRP  29   9.738  -7.463   0.405
  217   1HB   TRP  29          2HB       TRP  29   8.200  -6.677   2.132
  218   2HB   TRP  29          1HB       TRP  29   9.588  -5.592   2.051
  219    HD1  TRP  29           HD       TRP  29   5.870  -5.783   1.256
  220    HE1  TRP  29           1HE      TRP  29   4.994  -3.406   0.776
  221    HE3  TRP  29           3HE      TRP  29  10.283  -3.210   1.193
  222    HZ2  TRP  29           2HZ      TRP  29   6.028  -0.764   0.411
  223    HZ3  TRP  29           3HZ      TRP  29  10.307  -0.767   0.778
  224    HH2  TRP  29           HH       TRP  29   8.187   0.458   0.388
  225    H    LYS  30           H        LYS  30   8.271  -8.927  -0.319
  226    HA   LYS  30           HA       LYS  30   5.740  -7.950  -1.550
  227   1HB   LYS  30          2HB       LYS  30   7.555 -10.022  -2.821
  228   2HB   LYS  30          1HB       LYS  30   6.020  -9.440  -3.464
  229   1HG   LYS  30          2HG       LYS  30   6.955  -7.157  -3.631
  230   2HG   LYS  30          1HG       LYS  30   8.496  -7.747  -3.008
  231   1HD   LYS  30          2HD       LYS  30   7.292  -9.095  -5.407
  232   2HD   LYS  30          1HD       LYS  30   8.109  -7.547  -5.617
  233   1HE   LYS  30          2HE       LYS  30  10.148  -8.434  -4.627
  234   2HE   LYS  30          1HE       LYS  30   9.344  -9.959  -4.258
  235   1HZ   LYS  30          1HZ       LYS  30   9.210  -9.095  -7.024
  236   2HZ   LYS  30          2HZ       LYS  30   9.466 -10.645  -6.378
  237   3HZ   LYS  30          3HZ       LYS  30  10.751  -9.539  -6.473
  238    H    THR  31           H        THR  31   4.017  -9.182  -0.912
  239    HA   THR  31           HA       THR  31   4.441 -11.311   1.015
  240    HB   THR  31           HB       THR  31   2.085 -11.340   1.254
  241    HG1  THR  31           1HG      THR  31   2.120 -10.365  -1.391
  242   1HG2  THR  31          1HG2      THR  31   3.426  -9.006   1.473
  243   2HG2  THR  31          2HG2      THR  31   1.704  -9.148   1.823
  244   3HG2  THR  31          3HG2      THR  31   2.237  -8.542   0.256
  245    H    LYS  32           H        LYS  32   2.839 -13.359   0.537
  246    HA   LYS  32           HA       LYS  32   4.120 -14.723  -1.705
  247   1HB   LYS  32          2HB       LYS  32   3.602 -15.846   0.478
  248   2HB   LYS  32          1HB       LYS  32   1.886 -15.710   0.092
  249   1HG   LYS  32          2HG       LYS  32   2.094 -17.144  -1.802
  250   2HG   LYS  32          1HG       LYS  32   3.854 -17.043  -1.777
  251   1HD   LYS  32          2HD       LYS  32   3.813 -18.163   0.480
  252   2HD   LYS  32          1HD       LYS  32   2.079 -18.409   0.264
  253   1HE   LYS  32          2HE       LYS  32   4.358 -19.607  -1.301
  254   2HE   LYS  32          1HE       LYS  32   3.003 -20.426  -0.524
  255   1HZ   LYS  32          1HZ       LYS  32   2.719 -18.572  -2.823
  256   2HZ   LYS  32          2HZ       LYS  32   1.514 -19.560  -2.146
  257   3HZ   LYS  32          3HZ       LYS  32   2.821 -20.258  -2.978
  258    H    ASP  33           H        ASP  33   1.029 -13.192  -1.078
  259    HA   ASP  33           HA       ASP  33   0.373 -13.199  -3.890
  260   1HB   ASP  33          2HB       ASP  33  -1.549 -14.662  -3.876
  261   2HB   ASP  33          1HB       ASP  33  -0.178 -15.574  -3.244
  262    H    CYS  34           H        CYS  34   0.458 -11.507  -1.344
  263    HA   CYS  34           HA       CYS  34  -2.361 -10.534  -1.323
  264   1HB   CYS  34          2HB       CYS  34  -0.110  -9.653   0.491
  265   2HB   CYS  34          1HB       CYS  34  -1.840  -9.413   0.727
  266    H    GLU  35           H        GLU  35   0.934  -9.141  -1.340
  267    HA   GLU  35           HA       GLU  35   0.165  -7.317  -3.509
  268   1HB   GLU  35          2HB       GLU  35  -0.708  -6.006  -1.716
  269   2HB   GLU  35          1HB       GLU  35   0.683  -6.350  -0.690
  270   1HG   GLU  35          2HG       GLU  35   2.114  -4.957  -1.962
  271   2HG   GLU  35          1HG       GLU  35   0.999  -4.916  -3.328
  272    H    GLU  36           H        GLU  36   1.971  -6.574  -4.619
  273    HA   GLU  36           HA       GLU  36   4.637  -7.423  -3.539
  274   1HB   GLU  36          2HB       GLU  36   3.932  -6.998  -6.454
  275   2HB   GLU  36          1HB       GLU  36   5.355  -7.804  -5.793
  276   1HG   GLU  36          2HG       GLU  36   3.868  -9.552  -4.816
  277   2HG   GLU  36          1HG       GLU  36   2.489  -8.773  -5.593
  278    H    CYS  37           H        CYS  37   5.309  -5.495  -2.587
  279    HA   CYS  37           HA       CYS  37   5.254  -3.051  -4.302
  280   1HB   CYS  37          2HB       CYS  37   5.074  -3.489  -1.348
  281   2HB   CYS  37          1HB       CYS  37   5.804  -1.992  -1.933
  282    H    THR  38           H        THR  38   7.154  -2.263  -5.006
  283    HA   THR  38           HA       THR  38   9.673  -3.136  -3.639
  284    HB   THR  38           HB       THR  38  10.739  -3.389  -5.792
  285    HG1  THR  38           1HG      THR  38   9.871  -1.876  -7.060
  286   1HG2  THR  38          1HG2      THR  38   9.263  -5.260  -4.938
  287   2HG2  THR  38          2HG2      THR  38   9.536  -5.272  -6.680
  288   3HG2  THR  38          3HG2      THR  38   8.009  -4.672  -6.031
  289    H    CYS  39           H        CYS  39  11.482  -1.576  -4.040
  290    HA   CYS  39           HA       CYS  39  10.418   1.207  -4.360
  291   1HB   CYS  39          2HB       CYS  39  12.765   0.137  -2.773
  292   2HB   CYS  39          1HB       CYS  39  12.457   1.856  -3.022
  293    H    GLY  40           H        GLY  40  10.791   1.637  -6.523
  294   1HA   GLY  40          2HA       GLY  40  13.192   0.751  -7.896
  295   2HA   GLY  40          1HA       GLY  40  11.999   1.885  -8.532
  296    H    GLN  41           H        GLN  41  15.050   1.958  -8.344
  297    HA   GLN  41           HA       GLN  41  15.833   3.961  -6.485
  298   1HB   GLN  41          2HB       GLN  41  17.306   2.456  -7.989
  299   2HB   GLN  41          1HB       GLN  41  17.051   3.681  -9.232
  300   1HG   GLN  41          2HG       GLN  41  19.041   4.380  -8.180
  301   2HG   GLN  41          1HG       GLN  41  17.805   5.378  -7.417
  302   1HE2  GLN  41          1HE2      GLN  41  20.335   3.161  -6.777
  303   2HE2  GLN  41          2HE2      GLN  41  19.975   2.863  -5.145
  304    H    ASP  42           H        ASP  42  13.741   4.188  -9.120
  305    HA   ASP  42           HA       ASP  42  14.064   7.167  -9.158
  306   1HB   ASP  42          2HB       ASP  42  13.263   7.037 -11.559
  307   2HB   ASP  42          1HB       ASP  42  14.877   6.381 -11.282
  308    H    ALA  43           H        ALA  43  12.002   4.441  -8.793
  309    HA   ALA  43           HA       ALA  43   9.759   6.192  -8.118
  310   1HB   ALA  43          1HB       ALA  43   9.691   5.843 -10.667
  311   2HB   ALA  43          2HB       ALA  43   8.220   5.456  -9.774
  312   3HB   ALA  43          3HB       ALA  43   9.294   4.163 -10.309
  313    H    ILE  44           H        ILE  44   7.747   4.587  -7.703
  314    HA   ILE  44           HA       ILE  44   8.848   2.186  -6.282
  315    HB   ILE  44           HB       ILE  44   6.391   3.740  -5.446
  316   1HG1  ILE  44          2HG1      ILE  44   9.256   4.052  -4.488
  317   2HG1  ILE  44          1HG1      ILE  44   8.326   5.260  -5.376
  318   1HG2  ILE  44          1HG2      ILE  44   6.613   2.525  -3.401
  319   2HG2  ILE  44          2HG2      ILE  44   8.232   1.971  -3.824
  320   3HG2  ILE  44          3HG2      ILE  44   6.830   1.338  -4.686
  321   1HD1  ILE  44          1HD1      ILE  44   6.620   5.154  -3.487
  322   2HD1  ILE  44          2HD1      ILE  44   8.175   5.870  -3.065
  323   3HD1  ILE  44          3HD1      ILE  44   7.808   4.214  -2.584
  324    H    SER  45           H        SER  45   7.857   0.264  -6.742
  325    HA   SER  45           HA       SER  45   5.485   0.356  -8.566
  326   1HB   SER  45          2HB       SER  45   6.486  -1.273  -9.787
  327   2HB   SER  45          1HB       SER  45   7.943  -0.944  -8.854
  328    HG   SER  45           HG       SER  45   6.948  -2.448  -7.266
  329    H    CYS  46           H        CYS  46   3.596  -0.543  -7.836
  330    HA   CYS  46           HA       CYS  46   3.698  -2.483  -5.590
  331   1HB   CYS  46          2HB       CYS  46   2.441   0.240  -5.514
  332   2HB   CYS  46          1HB       CYS  46   1.675  -1.082  -4.631
  333    H    CYS  47           H        CYS  47   2.422  -4.152  -6.105
  334    HA   CYS  47           HA       CYS  47   0.096  -3.667  -7.935
  335   1HB   CYS  47          2HB       CYS  47   1.453  -6.341  -7.663
  336   2HB   CYS  47          1HB       CYS  47   0.515  -5.705  -9.014
  337    H    ASN  48           H        ASN  48  -1.866  -4.203  -7.084
  338    HA   ASN  48           HA       ASN  48  -1.886  -5.763  -4.528
  339   1HB   ASN  48          2HB       ASN  48  -4.023  -4.649  -4.064
  340   2HB   ASN  48          1HB       ASN  48  -2.770  -3.450  -4.388
  341   1HD2  ASN  48          1HD2      ASN  48  -3.022  -2.102  -6.243
  342   2HD2  ASN  48          2HD2      ASN  48  -4.359  -2.196  -7.285
  343    H    THR  49           H        THR  49  -3.245  -7.546  -4.347
  344    HA   THR  49           HA       THR  49  -4.786  -8.322  -6.796
  345    HB   THR  49           HB       THR  49  -3.052 -10.056  -5.011
  346    HG1  THR  49           1HG      THR  49  -1.805 -10.205  -6.755
  347   1HG2  THR  49          1HG2      THR  49  -3.801 -11.870  -6.647
  348   2HG2  THR  49          2HG2      THR  49  -5.093 -10.768  -7.122
  349   3HG2  THR  49          3HG2      THR  49  -4.999 -11.355  -5.461
  350    H    ALA  50           H        ALA  50  -4.691  -7.944  -3.371
  351    HA   ALA  50           HA       ALA  50  -6.806  -9.732  -2.633
  352   1HB   ALA  50          1HB       ALA  50  -5.170  -8.441  -1.106
  353   2HB   ALA  50          2HB       ALA  50  -6.838  -8.592  -0.557
  354   3HB   ALA  50          3HB       ALA  50  -6.282  -7.083  -1.280
  355    H    ALA  51           H        ALA  51  -8.985  -8.831  -1.797
  356    HA   ALA  51           HA       ALA  51 -10.585  -7.927  -3.876
  357   1HB   ALA  51          1HB       ALA  51 -11.009  -7.146  -0.978
  358   2HB   ALA  51          2HB       ALA  51 -11.376  -8.746  -1.623
  359   3HB   ALA  51          3HB       ALA  51 -12.245  -7.333  -2.222
  360    H    ILE  52           H        ILE  52 -11.749  -5.725  -3.961
  361    HA   ILE  52           HA       ILE  52  -9.723  -3.550  -3.642
  362    HB   ILE  52           HB       ILE  52 -10.323  -4.142  -5.997
  363   1HG1  ILE  52          2HG1      ILE  52 -11.174  -1.739  -6.586
  364   2HG1  ILE  52          1HG1      ILE  52 -11.019  -1.433  -4.859
  365   1HG2  ILE  52          1HG2      ILE  52 -13.055  -3.010  -5.397
  366   2HG2  ILE  52          2HG2      ILE  52 -12.733  -4.738  -5.271
  367   3HG2  ILE  52          3HG2      ILE  52 -12.528  -3.914  -6.816
  368   1HD1  ILE  52          1HD1      ILE  52  -8.924  -1.769  -6.907
  369   2HD1  ILE  52          2HD1      ILE  52  -8.618  -2.656  -5.416
  370   3HD1  ILE  52          3HD1      ILE  52  -8.863  -0.911  -5.370
  371    HA   PRO  53           HA       PRO  53 -12.698  -1.940  -0.680
  372   1HB   PRO  53          2HB       PRO  53 -11.702   0.738  -1.053
  373   2HB   PRO  53          1HB       PRO  53 -11.400  -0.365   0.292
  374   1HG   PRO  53          2HG       PRO  53  -9.591   0.417  -1.806
  375   2HG   PRO  53          1HG       PRO  53  -9.273  -0.634  -0.422
  376   1HD   PRO  53          2HD       PRO  53  -9.496  -1.405  -3.170
  377   2HD   PRO  53          1HD       PRO  53  -9.299  -2.476  -1.761
  378    H    THR  54           H        THR  54 -14.796  -1.345  -1.075
  379    HA   THR  54           HA       THR  54 -15.348   0.444  -3.415
  380    HB   THR  54           HB       THR  54 -17.246  -0.875  -4.010
  381    HG1  THR  54           1HG      THR  54 -17.224  -2.892  -2.347
  382   1HG2  THR  54          1HG2      THR  54 -15.236  -2.970  -3.196
  383   2HG2  THR  54          2HG2      THR  54 -14.887  -1.814  -4.481
  384   3HG2  THR  54          3HG2      THR  54 -16.248  -2.924  -4.638
  385    H    GLY  55           H        GLY  55 -17.852   1.138  -3.148
  386   1HA   GLY  55          2HA       GLY  55 -19.227   2.608  -1.929
  387   2HA   GLY  55          1HA       GLY  55 -19.087   1.397  -0.653
  388    H    TYR  56           H        TYR  56 -16.082   2.660  -1.616
  389    HA   TYR  56           HA       TYR  56 -15.809   4.051   0.960
  390   1HB   TYR  56          2HB       TYR  56 -13.874   2.834   0.455
  391   2HB   TYR  56          1HB       TYR  56 -13.945   3.241  -1.258
  392    HD1  TYR  56           1HD      TYR  56 -14.167   5.464   1.747
  393    HD2  TYR  56           2HD      TYR  56 -11.920   4.338  -1.737
  394    HE1  TYR  56           1HE      TYR  56 -12.623   7.363   2.129
  395    HE2  TYR  56           2HE      TYR  56 -10.374   6.238  -1.354
  396    HH   TYR  56           HH       TYR  56 -10.926   8.763   0.231
  397    H    ASP  57           H        ASP  57 -16.493   6.135   1.088
  398    HA   ASP  57           HA       ASP  57 -16.861   7.794  -1.265
  399   1HB   ASP  57          2HB       ASP  57 -17.260   9.602   0.512
  400   2HB   ASP  57          1HB       ASP  57 -18.344   8.211   0.557
  401    H    THR  58           H        THR  58 -15.009   8.400  -2.327
  402    HA   THR  58           HA       THR  58 -12.504   8.908  -0.973
  403    HB   THR  58           HB       THR  58 -11.655   9.490  -3.128
  404    HG1  THR  58           1HG      THR  58 -12.863  10.804  -4.212
  405   1HG2  THR  58          1HG2      THR  58 -12.365   7.641  -4.494
  406   2HG2  THR  58          2HG2      THR  58 -13.926   7.565  -3.676
  407   3HG2  THR  58          3HG2      THR  58 -12.456   7.111  -2.814
  408    H    ASN  59           H        ASN  59 -13.819  10.447   0.583
  409    HA   ASN  59           HA       ASN  59 -14.312  13.131  -0.480
  410   1HB   ASN  59          2HB       ASN  59 -14.253  12.059   2.357
  411   2HB   ASN  59          1HB       ASN  59 -14.732  13.699   1.918
  412   1HD2  ASN  59          1HD2      ASN  59 -16.223  13.158  -0.449
  413   2HD2  ASN  59          2HD2      ASN  59 -17.597  12.253  -0.033
  414    H    LYS  60           H        LYS  60 -11.884  11.602   1.642
  415    HA   LYS  60           HA       LYS  60  -9.799  13.362   0.692
  416   1HB   LYS  60          2HB       LYS  60 -11.278  14.739   2.389
  417   2HB   LYS  60          1HB       LYS  60 -10.414  13.799   3.606
  418   1HG   LYS  60          2HG       LYS  60  -8.257  14.518   2.508
  419   2HG   LYS  60          1HG       LYS  60  -9.206  15.605   1.494
  420   1HD   LYS  60          2HD       LYS  60 -10.180  16.500   3.728
  421   2HD   LYS  60          1HD       LYS  60  -8.799  15.700   4.480
  422   1HE   LYS  60          2HE       LYS  60  -8.114  17.955   4.046
  423   2HE   LYS  60          1HE       LYS  60  -7.324  16.954   2.828
  424   1HZ   LYS  60          1HZ       LYS  60  -9.611  17.518   1.598
  425   2HZ   LYS  60          2HZ       LYS  60  -8.210  18.464   1.438
  426   3HZ   LYS  60          3HZ       LYS  60  -9.432  18.927   2.524
  427    H    CYS  61           H        CYS  61  -9.651  10.744   0.624
  428    HA   CYS  61           HA       CYS  61  -7.557  10.086   2.559
  429   1HB   CYS  61          2HB       CYS  61  -9.169   7.817   2.792
  430   2HB   CYS  61          1HB       CYS  61  -8.925   9.042   4.033
  431    H    GLN  62           H        GLN  62  -6.986   7.593   2.115
  432    HA   GLN  62           HA       GLN  62  -7.275   7.051  -0.811
  433   1HB   GLN  62          2HB       GLN  62  -4.644   6.887   0.686
  434   2HB   GLN  62          1HB       GLN  62  -4.903   6.641  -1.042
  435   1HG   GLN  62          2HG       GLN  62  -5.787   9.026  -1.128
  436   2HG   GLN  62          1HG       GLN  62  -5.179   9.219   0.517
  437   1HE2  GLN  62          1HE2      GLN  62  -3.042   9.918   0.664
  438   2HE2  GLN  62          2HE2      GLN  62  -1.885   9.776  -0.569
  439    H    LYS  63           H        LYS  63  -6.249   4.789  -1.260
  440    HA   LYS  63           HA       LYS  63  -7.180   2.941   0.901
  441   1HB   LYS  63          2HB       LYS  63  -7.438   1.286  -0.955
  442   2HB   LYS  63          1HB       LYS  63  -8.448   2.715  -1.178
  443   1HG   LYS  63          2HG       LYS  63  -6.672   3.688  -2.644
  444   2HG   LYS  63          1HG       LYS  63  -5.773   2.177  -2.499
  445   1HD   LYS  63          2HD       LYS  63  -7.830   0.985  -3.379
  446   2HD   LYS  63          1HD       LYS  63  -8.506   2.575  -3.737
  447   1HE   LYS  63          2HE       LYS  63  -5.906   1.457  -4.827
  448   2HE   LYS  63          1HE       LYS  63  -7.404   1.670  -5.732
  449   1HZ   LYS  63          1HZ       LYS  63  -7.270   4.017  -5.451
  450   2HZ   LYS  63          2HZ       LYS  63  -5.769   3.484  -6.043
  451   3HZ   LYS  63          3HZ       LYS  63  -5.945   3.883  -4.400
  452    H    ILE  64           H        ILE  64  -5.760   1.372   1.644
  453    HA   ILE  64           HA       ILE  64  -3.123   1.123   0.273
  454    HB   ILE  64           HB       ILE  64  -3.178   2.749   2.322
  455   1HG1  ILE  64          2HG1      ILE  64  -0.955   1.560   3.144
  456   2HG1  ILE  64          1HG1      ILE  64  -1.242   0.521   1.750
  457   1HG2  ILE  64          1HG2      ILE  64  -3.135   1.785   4.479
  458   2HG2  ILE  64          2HG2      ILE  64  -2.921   0.156   3.840
  459   3HG2  ILE  64          3HG2      ILE  64  -4.474   0.973   3.668
  460   1HD1  ILE  64          1HD1      ILE  64  -1.594   2.843   0.508
  461   2HD1  ILE  64          2HD1      ILE  64   0.026   2.195   0.765
  462   3HD1  ILE  64          3HD1      ILE  64  -0.603   3.447   1.837
  463    H    LEU  65           H        LEU  65  -2.353  -0.959   0.251
  464    HA   LEU  65           HA       LEU  65  -4.072  -3.020   1.536
  465   1HB   LEU  65          2HB       LEU  65  -3.482  -3.050  -0.967
  466   2HB   LEU  65          1HB       LEU  65  -1.859  -3.510  -0.462
  467    HG   LEU  65           HG       LEU  65  -4.295  -5.011   0.512
  468   1HD1  LEU  65          1HD1      LEU  65  -3.544  -6.673  -1.363
  469   2HD1  LEU  65          2HD1      LEU  65  -2.837  -5.240  -2.110
  470   3HD1  LEU  65          3HD1      LEU  65  -4.569  -5.305  -1.790
  471   1HD2  LEU  65          1HD2      LEU  65  -1.345  -5.307   0.660
  472   2HD2  LEU  65          2HD2      LEU  65  -2.221  -6.788   0.280
  473   3HD2  LEU  65          3HD2      LEU  65  -2.596  -5.896   1.752
  474    H    ASN  66           H        ASN  66  -3.362  -3.567   3.537
  475    HA   ASN  66           HA       ASN  66  -0.556  -3.274   4.295
  476   1HB   ASN  66          2HB       ASN  66  -2.606  -2.954   5.818
  477   2HB   ASN  66          1HB       ASN  66  -2.692  -4.714   5.875
  478   1HD2  ASN  66          1HD2      ASN  66  -1.374  -5.733   7.405
  479   2HD2  ASN  66          2HD2      ASN  66  -0.095  -4.980   8.228
  480    H    LYS  67           H        LYS  67   0.976  -4.858   4.227
  481    HA   LYS  67           HA       LYS  67   0.175  -7.498   3.162
  482   1HB   LYS  67          2HB       LYS  67   2.822  -7.740   3.316
  483   2HB   LYS  67          1HB       LYS  67   2.078  -6.806   2.020
  484   1HG   LYS  67          2HG       LYS  67   2.690  -5.383   4.582
  485   2HG   LYS  67          1HG       LYS  67   4.042  -5.786   3.524
  486   1HD   LYS  67          2HD       LYS  67   3.234  -4.461   1.765
  487   2HD   LYS  67          1HD       LYS  67   1.585  -4.464   2.388
  488   1HE   LYS  67          2HE       LYS  67   2.794  -2.280   2.719
  489   2HE   LYS  67          1HE       LYS  67   2.202  -3.002   4.215
  490   1HZ   LYS  67          1HZ       LYS  67   4.829  -3.899   3.501
  491   2HZ   LYS  67          2HZ       LYS  67   4.261  -3.269   4.972
  492   3HZ   LYS  67          3HZ       LYS  67   4.758  -2.219   3.732
  493    H    LYS  68           H        LYS  68   1.522  -6.066   6.100
  494    HA   LYS  68           HA       LYS  68   2.383  -8.405   7.414
  495   1HB   LYS  68          2HB       LYS  68   1.486  -5.706   8.237
  496   2HB   LYS  68          1HB       LYS  68   1.308  -6.945   9.477
  497   1HG   LYS  68          2HG       LYS  68   3.507  -5.939   9.699
  498   2HG   LYS  68          1HG       LYS  68   3.705  -7.587   9.102
  499   1HD   LYS  68          2HD       LYS  68   3.776  -6.631   6.759
  500   2HD   LYS  68          1HD       LYS  68   3.830  -5.025   7.488
  501   1HE   LYS  68          2HE       LYS  68   5.851  -7.255   7.823
  502   2HE   LYS  68          1HE       LYS  68   6.106  -5.691   7.052
  503   1HZ   LYS  68          1HZ       LYS  68   5.592  -6.222   9.923
  504   2HZ   LYS  68          2HZ       LYS  68   5.554  -4.667   9.239
  505   3HZ   LYS  68          3HZ       LYS  68   6.994  -5.568   9.230
  506    H    THR  69           H        THR  69  -0.836  -7.318   6.671
  507    HA   THR  69           HA       THR  69  -1.917  -9.731   8.076
  508    HB   THR  69           HB       THR  69  -4.044  -8.236   8.329
  509    HG1  THR  69           1HG      THR  69  -3.620  -6.069   8.380
  510   1HG2  THR  69          1HG2      THR  69  -3.068  -7.250  10.461
  511   2HG2  THR  69          2HG2      THR  69  -1.514  -7.914   9.955
  512   3HG2  THR  69          3HG2      THR  69  -2.873  -8.992  10.275
  513    H    CYS  70           H        CYS  70  -1.305  -8.439   5.163
  514    HA   CYS  70           HA       CYS  70  -2.292  -8.605   3.030
  515   1HB   CYS  70          2HB       CYS  70  -3.180 -11.149   4.410
  516   2HB   CYS  70          1HB       CYS  70  -3.461 -10.845   2.696
  517    H    THR  71           H        THR  71  -3.710  -6.724   3.947
  518    HA   THR  71           HA       THR  71  -6.518  -7.436   3.348
  519    HB   THR  71           HB       THR  71  -6.641  -7.701   5.702
  520    HG1  THR  71           1HG      THR  71  -8.271  -6.366   5.114
  521   1HG2  THR  71          1HG2      THR  71  -5.642  -6.060   7.271
  522   2HG2  THR  71          2HG2      THR  71  -4.968  -5.183   5.897
  523   3HG2  THR  71          3HG2      THR  71  -4.423  -6.822   6.249
  524    H    TYR  72           H        TYR  72  -7.872  -5.313   3.393
  525    HA   TYR  72           HA       TYR  72  -6.215  -3.147   2.160
  526   1HB   TYR  72          2HB       TYR  72  -8.643  -4.472   1.332
  527   2HB   TYR  72          1HB       TYR  72  -8.974  -2.759   1.578
  528    HD1  TYR  72           1HD      TYR  72  -7.805  -5.137  -0.743
  529    HD2  TYR  72           2HD      TYR  72  -7.082  -1.130   0.626
  530    HE1  TYR  72           1HE      TYR  72  -6.686  -4.605  -2.891
  531    HE2  TYR  72           2HE      TYR  72  -5.964  -0.598  -1.522
  532    HH   TYR  72           HH       TYR  72  -4.716  -2.045  -3.352
  533    H    THR  73           H        THR  73  -6.341  -1.093   3.036
  534    HA   THR  73           HA       THR  73  -8.460  -0.548   5.057
  535    HB   THR  73           HB       THR  73  -7.022  -0.176   6.809
  536    HG1  THR  73           1HG      THR  73  -5.918   1.493   5.736
  537   1HG2  THR  73          1HG2      THR  73  -5.203  -1.886   5.093
  538   2HG2  THR  73          2HG2      THR  73  -6.584  -2.502   6.001
  539   3HG2  THR  73          3HG2      THR  73  -5.213  -1.795   6.854
  540    H    VAL  74           H        VAL  74  -8.857   1.714   5.348
  541    HA   VAL  74           HA       VAL  74  -7.758   3.414   3.138
  542    HB   VAL  74           HB       VAL  74 -10.252   4.077   4.689
  543   1HG1  VAL  74          1HG1      VAL  74  -9.099   5.574   2.939
  544   2HG1  VAL  74          2HG1      VAL  74 -10.826   5.286   2.730
  545   3HG1  VAL  74          3HG1      VAL  74  -9.658   4.403   1.745
  546   1HG2  VAL  74          1HG2      VAL  74 -10.617   1.765   4.063
  547   2HG2  VAL  74          2HG2      VAL  74  -9.989   2.058   2.441
  548   3HG2  VAL  74          3HG2      VAL  74 -11.521   2.778   2.936
  549    H    VAL  75           H        VAL  75  -6.300   4.887   3.828
  550    HA   VAL  75           HA       VAL  75  -6.454   5.830   6.665
  551    HB   VAL  75           HB       VAL  75  -4.049   6.478   6.302
  552   1HG1  VAL  75          1HG1      VAL  75  -4.914   3.603   5.919
  553   2HG1  VAL  75          2HG1      VAL  75  -4.457   4.402   7.424
  554   3HG1  VAL  75          3HG1      VAL  75  -3.235   4.063   6.197
  555   1HG2  VAL  75          1HG2      VAL  75  -4.114   6.693   3.859
  556   2HG2  VAL  75          2HG2      VAL  75  -4.491   4.977   3.701
  557   3HG2  VAL  75          3HG2      VAL  75  -2.918   5.481   4.319
  558    H    GLU  76           H        GLU  76  -5.653   8.147   6.933
  559    HA   GLU  76           HA       GLU  76  -6.790   9.834   4.738
  560   1HB   GLU  76          2HB       GLU  76  -6.568  10.274   7.723
  561   2HB   GLU  76          1HB       GLU  76  -6.995  11.562   6.597
  562   1HG   GLU  76          2HG       GLU  76  -8.987  10.441   5.914
  563   2HG   GLU  76          1HG       GLU  76  -8.485   8.932   6.680
  564    H    LYS  77           H        LYS  77  -5.528  11.480   3.888
  565    HA   LYS  77           HA       LYS  77  -2.684  11.288   4.118
  566   1HB   LYS  77          2HB       LYS  77  -4.257  13.678   3.131
  567   2HB   LYS  77          1HB       LYS  77  -2.601  13.239   2.712
  568   1HG   LYS  77          2HG       LYS  77  -3.950  10.936   2.054
  569   2HG   LYS  77          1HG       LYS  77  -5.152  12.167   1.666
  570   1HD   LYS  77          2HD       LYS  77  -2.320  11.965   0.609
  571   2HD   LYS  77          1HD       LYS  77  -3.819  11.819  -0.309
  572   1HE   LYS  77          2HE       LYS  77  -4.178  14.272   0.825
  573   2HE   LYS  77          1HE       LYS  77  -2.422  14.252   0.647
  574   1HZ   LYS  77          1HZ       LYS  77  -3.355  15.118  -1.342
  575   2HZ   LYS  77          2HZ       LYS  77  -4.448  13.825  -1.477
  576   3HZ   LYS  77          3HZ       LYS  77  -2.784  13.560  -1.695
  577    H    LYS  78           H        LYS  78  -4.953  13.751   5.393
  578    HA   LYS  78           HA       LYS  78  -2.848  15.125   6.852
  579   1HB   LYS  78          2HB       LYS  78  -5.850  15.312   6.748
  580   2HB   LYS  78          1HB       LYS  78  -4.967  16.151   8.023
  581   1HG   LYS  78          2HG       LYS  78  -4.053  16.458   5.177
  582   2HG   LYS  78          1HG       LYS  78  -5.459  17.368   5.726
  583   1HD   LYS  78          2HD       LYS  78  -4.099  18.254   7.624
  584   2HD   LYS  78          1HD       LYS  78  -2.691  17.422   6.966
  585   1HE   LYS  78          2HE       LYS  78  -2.739  18.742   4.963
  586   2HE   LYS  78          1HE       LYS  78  -4.319  19.412   5.369
  587   1HZ   LYS  78          1HZ       LYS  78  -2.026  20.643   5.898
  588   2HZ   LYS  78          2HZ       LYS  78  -2.232  19.788   7.352
  589   3HZ   LYS  78          3HZ       LYS  78  -3.433  20.865   6.816
  590    H    ASP  79           H        ASP  79  -4.198  12.157   7.373
  591    HA   ASP  79           HA       ASP  79  -3.282  12.110  10.144
  592   1HB   ASP  79          2HB       ASP  79  -5.665  13.056  10.171
  593   2HB   ASP  79          1HB       ASP  79  -6.187  11.451   9.665
  594    HA   PRO  80           HA       PRO  80  -3.024   8.152   7.677
  595   1HB   PRO  80          2HB       PRO  80  -0.436   7.765   8.880
  596   2HB   PRO  80          1HB       PRO  80  -0.817   8.095   7.189
  597   1HG   PRO  80          2HG       PRO  80   0.416   9.856   9.063
  598   2HG   PRO  80          1HG       PRO  80  -0.050  10.212   7.399
  599   1HD   PRO  80          2HD       PRO  80  -1.298  11.134   9.857
  600   2HD   PRO  80          1HD       PRO  80  -1.686  11.596   8.181
  601    H    GLY  81           H        GLY  81  -3.501   9.009  10.804
  602   1HA   GLY  81          2HA       GLY  81  -3.135   6.249  11.894
  603   2HA   GLY  81          1HA       GLY  81  -3.316   7.706  12.872
  604    H    LYS  82           H        LYS  82  -5.514   8.702  11.112
  605    HA   LYS  82           HA       LYS  82  -7.682   7.123  12.378
  606   1HB   LYS  82          2HB       LYS  82  -7.567   9.831  11.044
  607   2HB   LYS  82          1HB       LYS  82  -9.098   9.059  11.460
  608   1HG   LYS  82          2HG       LYS  82  -8.430   8.921  13.809
  609   2HG   LYS  82          1HG       LYS  82  -6.848   9.595  13.422
  610   1HD   LYS  82          2HD       LYS  82  -8.013  11.481  14.173
  611   2HD   LYS  82          1HD       LYS  82  -8.215  11.591  12.425
  612   1HE   LYS  82          2HE       LYS  82 -10.352  11.955  13.660
  613   2HE   LYS  82          1HE       LYS  82 -10.428  10.564  12.579
  614   1HZ   LYS  82          1HZ       LYS  82  -9.475   9.944  15.225
  615   2HZ   LYS  82          2HZ       LYS  82 -10.649   9.160  14.280
  616   3HZ   LYS  82          3HZ       LYS  82 -11.068  10.527  15.198
  617    H    THR  83           H        THR  83  -8.872   5.693  11.204
  618    HA   THR  83           HA       THR  83  -8.325   5.340   8.361
  619    HB   THR  83           HB       THR  83  -9.911   3.474   8.514
  620    HG1  THR  83           1HG      THR  83 -11.496   4.091   9.816
  621   1HG2  THR  83          1HG2      THR  83  -7.586   3.215   9.402
  622   2HG2  THR  83          2HG2      THR  83  -8.751   2.154  10.193
  623   3HG2  THR  83          3HG2      THR  83  -8.196   3.616  11.008
  624    H    CYS  84           H        CYS  84  -9.762   5.771   6.644
  625    HA   CYS  84           HA       CYS  84 -11.666   7.931   7.142
  626   1HB   CYS  84          2HB       CYS  84 -10.107   7.289   5.004
  627   2HB   CYS  84          1HB       CYS  84 -11.645   6.605   4.483
  628    H    ASP  85           H        ASP  85 -13.821   7.526   5.605
  629    HA   ASP  85           HA       ASP  85 -15.337   5.552   7.098
  630   1HB   ASP  85          2HB       ASP  85 -16.037   7.275   4.703
  631   2HB   ASP  85          1HB       ASP  85 -17.192   6.230   5.529
  632    H    VAL  86           H        VAL  86 -15.975   3.516   6.443
  633    HA   VAL  86           HA       VAL  86 -15.174   2.634   3.697
  634    HB   VAL  86           HB       VAL  86 -14.986   0.841   6.120
  635   1HG1  VAL  86          1HG1      VAL  86 -13.768   0.831   3.342
  636   2HG1  VAL  86          2HG1      VAL  86 -14.975  -0.288   3.975
  637   3HG1  VAL  86          3HG1      VAL  86 -13.332  -0.310   4.613
  638   1HG2  VAL  86          1HG2      VAL  86 -12.497   1.364   6.016
  639   2HG2  VAL  86          2HG2      VAL  86 -13.509   2.660   6.657
  640   3HG2  VAL  86          3HG2      VAL  86 -12.913   2.744   4.999
  641    H    THR  87           H        THR  87 -16.355   0.517   3.135
  642    HA   THR  87           HA       THR  87 -18.988   0.290   4.504
  643    HB   THR  87           HB       THR  87 -18.649   0.617   1.508
  644    HG1  THR  87           1HG      THR  87 -18.932   2.641   1.901
  645   1HG2  THR  87          1HG2      THR  87 -21.081   0.218   3.269
  646   2HG2  THR  87          2HG2      THR  87 -20.483  -0.881   2.026
  647   3HG2  THR  87          3HG2      THR  87 -21.156   0.684   1.569
  648    H    GLY  88           H        GLY  88 -16.764  -1.027   2.067
  649   1HA   GLY  88          2HA       GLY  88 -16.673  -3.633   3.070
  650   2HA   GLY  88          1HA       GLY  88 -18.050  -3.616   1.967
  651    H    TRP  89           H        TRP  89 -15.754  -5.186   1.474
  652    HA   TRP  89           HA       TRP  89 -14.440  -3.736  -0.794
  653   1HB   TRP  89          2HB       TRP  89 -13.411  -6.321   0.352
  654   2HB   TRP  89          1HB       TRP  89 -12.521  -5.029  -0.455
  655    HD1  TRP  89           HD       TRP  89 -11.573  -3.113   0.999
  656    HE1  TRP  89           1HE      TRP  89 -11.572  -2.605   3.527
  657    HE3  TRP  89           3HE      TRP  89 -14.932  -6.610   2.603
  658    HZ2  TRP  89           2HZ      TRP  89 -12.830  -3.557   5.913
  659    HZ3  TRP  89           3HZ      TRP  89 -15.511  -6.786   5.007
  660    HH2  TRP  89           HH       TRP  89 -14.466  -5.266   6.662
  661    H    VAL  90           H        VAL  90 -13.854  -5.309  -2.644
  662    HA   VAL  90           HA       VAL  90 -15.933  -7.425  -2.979
  663    HB   VAL  90           HB       VAL  90 -15.281  -5.204  -4.933
  664   1HG1  VAL  90          1HG1      VAL  90 -15.480  -7.159  -6.273
  665   2HG1  VAL  90          2HG1      VAL  90 -17.079  -6.416  -6.317
  666   3HG1  VAL  90          3HG1      VAL  90 -16.781  -7.805  -5.271
  667   1HG2  VAL  90          1HG2      VAL  90 -16.910  -4.635  -3.166
  668   2HG2  VAL  90          2HG2      VAL  90 -17.856  -6.066  -3.577
  669   3HG2  VAL  90          3HG2      VAL  90 -17.704  -4.747  -4.737
  670    H    LEU  91           H        LEU  91 -15.082  -9.280  -3.819
  671    HA   LEU  91           HA       LEU  91 -12.267  -9.573  -4.196
  672   1HB   LEU  91          2HB       LEU  91 -13.808 -11.447  -3.623
  673   2HB   LEU  91          1HB       LEU  91 -14.493 -11.351  -5.244
  674    HG   LEU  91           HG       LEU  91 -12.225 -11.789  -6.191
  675   1HD1  LEU  91          1HD1      LEU  91 -10.643 -11.124  -4.617
  676   2HD1  LEU  91          2HD1      LEU  91 -10.650 -12.866  -4.356
  677   3HD1  LEU  91          3HD1      LEU  91 -11.544 -11.809  -3.266
  678   1HD2  LEU  91          1HD2      LEU  91 -13.374 -13.790  -4.228
  679   2HD2  LEU  91          2HD2      LEU  91 -12.119 -14.196  -5.398
  680   3HD2  LEU  91          3HD2      LEU  91 -13.707 -13.673  -5.957
  Start of MODEL    7
    1   1H    GLN   1          1HT       GLN   1  -2.883  -3.902 -15.378
    2   2H    GLN   1          2HT       GLN   1  -2.502  -2.606 -14.347
    3   3H    GLN   1          3HT       GLN   1  -2.754  -4.160 -13.707
    4    HA   GLN   1           HA       GLN   1  -0.772  -4.995 -14.638
    5   1HB   GLN   1          2HB       GLN   1   0.645  -3.400 -16.040
    6   2HB   GLN   1          1HB       GLN   1  -0.822  -4.000 -16.816
    7   1HG   GLN   1          2HG       GLN   1  -0.804  -1.402 -15.276
    8   2HG   GLN   1          1HG       GLN   1  -0.356  -1.467 -16.981
    9   1HE2  GLN   1          1HE2      GLN   1  -2.949  -0.716 -15.141
   10   2HE2  GLN   1          2HE2      GLN   1  -4.209  -1.251 -16.146
   11    H    CYS   2           H        CYS   2  -1.139  -4.274 -12.152
   12    HA   CYS   2           HA       CYS   2  -0.148  -3.335 -10.240
   13   1HB   CYS   2          2HB       CYS   2   1.832  -4.466 -11.460
   14   2HB   CYS   2          1HB       CYS   2   2.279  -2.838 -11.969
   15    H    TYR   3           H        TYR   3   1.120  -1.250  -9.518
   16    HA   TYR   3           HA       TYR   3   0.362   1.051 -11.273
   17   1HB   TYR   3          2HB       TYR   3  -1.334   0.604  -9.423
   18   2HB   TYR   3          1HB       TYR   3  -0.060   1.018  -8.275
   19    HD1  TYR   3           1HD      TYR   3  -1.659   2.341 -11.404
   20    HD2  TYR   3           2HD      TYR   3   0.174   3.249  -7.627
   21    HE1  TYR   3           1HE      TYR   3  -2.129   4.750 -11.755
   22    HE2  TYR   3           2HE      TYR   3  -0.296   5.658  -7.977
   23    HH   TYR   3           HH       TYR   3  -1.872   7.052  -9.269
   24    H    PHE   4           H        PHE   4   1.828   2.740 -11.241
   25    HA   PHE   4           HA       PHE   4   4.283   2.334  -9.571
   26   1HB   PHE   4          2HB       PHE   4   3.805   3.496 -12.309
   27   2HB   PHE   4          1HB       PHE   4   5.213   4.007 -11.376
   28    HD1  PHE   4           1HD      PHE   4   7.177   2.752 -11.545
   29    HD2  PHE   4           2HD      PHE   4   3.405   0.873 -12.382
   30    HE1  PHE   4           1HE      PHE   4   8.359   0.672 -12.198
   31    HE2  PHE   4           2HE      PHE   4   4.588  -1.207 -13.035
   32    HZ   PHE   4           HZ       PHE   4   7.064  -1.307 -12.943
   33    H    ILE   5           H        ILE   5   5.026   4.067  -8.322
   34    HA   ILE   5           HA       ILE   5   3.406   6.573  -8.385
   35    HB   ILE   5           HB       ILE   5   4.369   5.249  -5.848
   36   1HG1  ILE   5          2HG1      ILE   5   1.660   4.982  -5.764
   37   2HG1  ILE   5          1HG1      ILE   5   1.929   4.781  -7.494
   38   1HG2  ILE   5          1HG2      ILE   5   3.983   7.665  -5.716
   39   2HG2  ILE   5          2HG2      ILE   5   2.721   6.809  -4.830
   40   3HG2  ILE   5          3HG2      ILE   5   2.382   7.467  -6.430
   41   1HD1  ILE   5          1HD1      ILE   5   2.019   2.612  -6.302
   42   2HD1  ILE   5          2HD1      ILE   5   3.346   3.220  -5.313
   43   3HD1  ILE   5          3HD1      ILE   5   3.568   3.001  -7.049
   44    HA   PRO   6           HA       PRO   6   7.694   8.003  -8.746
   45   1HB   PRO   6          2HB       PRO   6   6.778  10.718  -8.442
   46   2HB   PRO   6          1HB       PRO   6   7.315   9.902  -9.913
   47   1HG   PRO   6          2HG       PRO   6   4.646  10.662  -9.198
   48   2HG   PRO   6          1HG       PRO   6   5.186   9.839 -10.664
   49   1HD   PRO   6          2HD       PRO   6   3.683   8.733  -8.464
   50   2HD   PRO   6          1HD       PRO   6   4.231   7.902  -9.943
   51    H    ASN   7           H        ASN   7   9.066   8.004  -7.019
   52    HA   ASN   7           HA       ASN   7   8.354   8.193  -4.328
   53   1HB   ASN   7          2HB       ASN   7  10.582   7.443  -5.233
   54   2HB   ASN   7          1HB       ASN   7  10.995   9.141  -5.474
   55   1HD2  ASN   7          1HD2      ASN   7   9.679   7.052  -2.831
   56   2HD2  ASN   7          2HD2      ASN   7  10.580   7.796  -1.600
   57    H    GLN   8           H        GLN   8   7.355   9.868  -3.317
   58    HA   GLN   8           HA       GLN   8   7.928  12.648  -4.226
   59   1HB   GLN   8          2HB       GLN   8   5.773  11.636  -2.342
   60   2HB   GLN   8          1HB       GLN   8   5.915  13.271  -2.982
   61   1HG   GLN   8          2HG       GLN   8   4.432  12.444  -4.537
   62   2HG   GLN   8          1HG       GLN   8   5.927  11.927  -5.315
   63   1HE2  GLN   8          1HE2      GLN   8   6.190   9.917  -2.907
   64   2HE2  GLN   8          2HE2      GLN   8   5.187   8.633  -3.379
   65    H    SER   9           H        SER   9   9.399  10.661  -2.218
   66    HA   SER   9           HA       SER   9   9.385  11.669   0.379
   67   1HB   SER   9          2HB       SER   9  11.918  10.997  -1.138
   68   2HB   SER   9          1HB       SER   9  11.652  10.879   0.599
   69    HG   SER   9           HG       SER   9  10.937   9.173  -1.437
   70    H    LEU  10           H        LEU  10  10.674  13.327   1.437
   71    HA   LEU  10           HA       LEU  10  10.664  15.844   0.119
   72   1HB   LEU  10          2HB       LEU  10  12.390  15.039   2.479
   73   2HB   LEU  10          1HB       LEU  10  11.899  16.676   2.046
   74    HG   LEU  10           HG       LEU  10   9.891  14.494   2.650
   75   1HD1  LEU  10          1HD1      LEU  10  11.222  14.726   4.652
   76   2HD1  LEU  10          2HD1      LEU  10   9.717  15.609   4.907
   77   3HD1  LEU  10          3HD1      LEU  10  11.199  16.484   4.523
   78   1HD2  LEU  10          1HD2      LEU  10   8.892  16.333   1.496
   79   2HD2  LEU  10          2HD2      LEU  10   9.812  17.513   2.429
   80   3HD2  LEU  10          3HD2      LEU  10   8.521  16.593   3.200
   81    H    LYS  11           H        LYS  11  13.151  13.370   0.385
   82    HA   LYS  11           HA       LYS  11  14.686  14.768  -1.716
   83   1HB   LYS  11          2HB       LYS  11  16.641  13.839   0.144
   84   2HB   LYS  11          1HB       LYS  11  16.311  15.506  -0.324
   85   1HG   LYS  11          2HG       LYS  11  14.653  15.734   1.430
   86   2HG   LYS  11          1HG       LYS  11  14.779  14.021   1.830
   87   1HD   LYS  11          2HD       LYS  11  17.206  14.400   2.378
   88   2HD   LYS  11          1HD       LYS  11  16.931  16.128   2.156
   89   1HE   LYS  11          2HE       LYS  11  15.070  15.940   3.874
   90   2HE   LYS  11          1HE       LYS  11  15.651  14.309   4.208
   91   1HZ   LYS  11          1HZ       LYS  11  17.106  15.233   5.581
   92   2HZ   LYS  11          2HZ       LYS  11  16.709  16.802   5.066
   93   3HZ   LYS  11          3HZ       LYS  11  17.888  15.905   4.234
   94    HA   PRO  12           HA       PRO  12  15.421  10.731  -3.298
   95   1HB   PRO  12          2HB       PRO  12  18.295  10.880  -3.422
   96   2HB   PRO  12          1HB       PRO  12  17.130  11.094  -4.731
   97   1HG   PRO  12          2HG       PRO  12  18.701  13.109  -3.386
   98   2HG   PRO  12          1HG       PRO  12  17.617  13.302  -4.766
   99   1HD   PRO  12          2HD       PRO  12  17.180  14.224  -2.101
  100   2HD   PRO  12          1HD       PRO  12  16.016  14.253  -3.449
  101    H    ASN  13           H        ASN  13  17.371   8.856  -2.952
  102    HA   ASN  13           HA       ASN  13  18.005   7.172  -1.449
  103   1HB   ASN  13          2HB       ASN  13  18.572   9.581   0.310
  104   2HB   ASN  13          1HB       ASN  13  19.219   7.957   0.547
  105   1HD2  ASN  13          1HD2      ASN  13  21.123   7.431  -0.579
  106   2HD2  ASN  13          2HD2      ASN  13  21.816   8.398  -1.790
  107    H    GLU  14           H        GLU  14  15.232   7.772  -1.491
  108    HA   GLU  14           HA       GLU  14  14.510   6.856   1.229
  109   1HB   GLU  14          2HB       GLU  14  13.499   9.385  -0.070
  110   2HB   GLU  14          1HB       GLU  14  12.535   8.527   1.134
  111   1HG   GLU  14          2HG       GLU  14  14.425   8.655   2.722
  112   2HG   GLU  14          1HG       GLU  14  15.356   9.555   1.524
  113    H    CYS  15           H        CYS  15  12.026   6.409   1.217
  114    HA   CYS  15           HA       CYS  15  10.947   5.635  -1.409
  115   1HB   CYS  15          2HB       CYS  15  12.518   3.763  -0.392
  116   2HB   CYS  15          1HB       CYS  15  11.120   3.434   0.629
  117    H    GLN  16           H        GLN  16   9.785   7.507   0.005
  118    HA   GLN  16           HA       GLN  16   7.787   6.273   1.833
  119   1HB   GLN  16          2HB       GLN  16   7.964   9.219   1.253
  120   2HB   GLN  16          1HB       GLN  16   7.454   8.405   2.732
  121   1HG   GLN  16          2HG       GLN  16   9.877   7.545   2.886
  122   2HG   GLN  16          1HG       GLN  16  10.257   8.759   1.665
  123   1HE2  GLN  16          1HE2      GLN  16  10.423   8.369   4.912
  124   2HE2  GLN  16          2HE2      GLN  16  10.139   9.960   5.428
  125    H    ASP  17           H        ASP  17   5.534   6.602   1.479
  126    HA   ASP  17           HA       ASP  17   4.693   7.758  -1.117
  127   1HB   ASP  17          2HB       ASP  17   5.163   5.228  -1.349
  128   2HB   ASP  17          1HB       ASP  17   3.748   4.998  -0.321
  129    H    LEU  18           H        LEU  18   2.691   8.739  -0.910
  130    HA   LEU  18           HA       LEU  18   0.864   9.655   0.264
  131   1HB   LEU  18          2HB       LEU  18   0.611   6.889   1.473
  132   2HB   LEU  18          1HB       LEU  18  -0.675   8.045   1.128
  133    HG   LEU  18           HG       LEU  18   1.058   6.716  -0.978
  134   1HD1  LEU  18          1HD1      LEU  18  -1.141   5.560  -1.532
  135   2HD1  LEU  18          2HD1      LEU  18  -1.734   6.130   0.027
  136   3HD1  LEU  18          3HD1      LEU  18  -0.360   5.028  -0.043
  137   1HD2  LEU  18          1HD2      LEU  18   0.301   8.791  -1.846
  138   2HD2  LEU  18          2HD2      LEU  18  -1.268   8.645  -1.052
  139   3HD2  LEU  18          3HD2      LEU  18  -0.879   7.620  -2.433
  140    H    LYS  19           H        LYS  19   0.152   8.272   2.967
  141    HA   LYS  19           HA       LYS  19   2.268   9.673   4.566
  142   1HB   LYS  19          2HB       LYS  19  -0.709   9.601   4.769
  143   2HB   LYS  19          1HB       LYS  19   0.184   9.584   6.289
  144   1HG   LYS  19          2HG       LYS  19   0.933  11.567   4.152
  145   2HG   LYS  19          1HG       LYS  19  -0.456  11.887   5.189
  146   1HD   LYS  19          2HD       LYS  19   0.847  12.014   7.127
  147   2HD   LYS  19          1HD       LYS  19   2.159  11.064   6.430
  148   1HE   LYS  19          2HE       LYS  19   2.663  13.532   6.649
  149   2HE   LYS  19          1HE       LYS  19   2.832  12.895   5.012
  150   1HZ   LYS  19          1HZ       LYS  19   1.507  14.610   4.497
  151   2HZ   LYS  19          2HZ       LYS  19   0.907  14.778   6.078
  152   3HZ   LYS  19          3HZ       LYS  19   0.258  13.601   5.039
  153    H    GLY  20           H        GLY  20   0.589   6.713   3.982
  154   1HA   GLY  20          2HA       GLY  20   1.126   5.471   6.540
  155   2HA   GLY  20          1HA       GLY  20   0.669   4.627   5.062
  156    H    VAL  21           H        VAL  21   2.691   5.128   3.326
  157    HA   VAL  21           HA       VAL  21   4.842   3.510   4.416
  158    HB   VAL  21           HB       VAL  21   4.791   5.015   1.792
  159   1HG1  VAL  21          1HG1      VAL  21   6.289   2.561   2.754
  160   2HG1  VAL  21          2HG1      VAL  21   6.989   4.140   2.402
  161   3HG1  VAL  21          3HG1      VAL  21   6.312   3.165   1.098
  162   1HG2  VAL  21          1HG2      VAL  21   3.765   2.245   2.490
  163   2HG2  VAL  21          2HG2      VAL  21   3.901   2.888   0.853
  164   3HG2  VAL  21          3HG2      VAL  21   2.781   3.624   2.000
  165    H    SER  22           H        SER  22   7.081   4.153   4.575
  166    HA   SER  22           HA       SER  22   8.122   6.740   4.190
  167   1HB   SER  22          2HB       SER  22   6.608   6.378   6.741
  168   2HB   SER  22          1HB       SER  22   8.119   7.282   6.810
  169    HG   SER  22           HG       SER  22   5.763   7.814   5.355
  170    H    HIS  23           H        HIS  23   9.856   5.234   3.657
  171    HA   HIS  23           HA       HIS  23  11.525   4.608   6.010
  172   1HB   HIS  23          2HB       HIS  23  10.296   2.560   4.191
  173   2HB   HIS  23          1HB       HIS  23  11.910   2.260   4.833
  174    HD1  HIS  23           1HD      HIS  23  12.136   1.864   7.380
  175    HD2  HIS  23           2HD      HIS  23   8.213   2.565   6.151
  176    HE1  HIS  23           1HE      HIS  23  10.651   1.266   9.344
  177    HA   PRO  24           HA       PRO  24  14.791   5.913   3.324
  178   1HB   PRO  24          2HB       PRO  24  16.582   3.767   4.021
  179   2HB   PRO  24          1HB       PRO  24  16.590   5.432   4.607
  180   1HG   PRO  24          2HG       PRO  24  15.766   3.039   6.006
  181   2HG   PRO  24          1HG       PRO  24  15.902   4.687   6.629
  182   1HD   PRO  24          2HD       PRO  24  13.495   3.245   6.143
  183   2HD   PRO  24          1HD       PRO  24  13.641   4.971   6.556
  184    H    LEU  25           H        LEU  25  16.330   4.977   1.554
  185    HA   LEU  25           HA       LEU  25  14.811   3.544  -0.361
  186   1HB   LEU  25          2HB       LEU  25  17.311   4.833  -0.293
  187   2HB   LEU  25          1HB       LEU  25  17.680   3.169  -0.740
  188    HG   LEU  25           HG       LEU  25  15.533   4.824  -2.100
  189   1HD1  LEU  25          1HD1      LEU  25  17.730   4.355  -3.841
  190   2HD1  LEU  25          2HD1      LEU  25  18.404   5.002  -2.347
  191   3HD1  LEU  25          3HD1      LEU  25  17.163   5.901  -3.216
  192   1HD2  LEU  25          1HD2      LEU  25  16.934   2.232  -2.837
  193   2HD2  LEU  25          2HD2      LEU  25  15.739   3.059  -3.834
  194   3HD2  LEU  25          3HD2      LEU  25  15.268   2.381  -2.277
  195    H    ASN  26           H        ASN  26  16.455   1.481  -1.313
  196    HA   ASN  26           HA       ASN  26  16.600  -0.854  -1.026
  197   1HB   ASN  26          2HB       ASN  26  17.802   0.183   1.557
  198   2HB   ASN  26          1HB       ASN  26  17.917  -1.492   1.018
  199   1HD2  ASN  26          1HD2      ASN  26  19.572   1.429   0.944
  200   2HD2  ASN  26          2HD2      ASN  26  20.540   1.149  -0.422
  201    H    SER  27           H        SER  27  14.234  -1.083  -0.899
  202    HA   SER  27           HA       SER  27  13.428  -2.318   1.634
  203   1HB   SER  27          2HB       SER  27  12.970   0.177   1.882
  204   2HB   SER  27          1HB       SER  27  11.788   0.002   0.590
  205    HG   SER  27           HG       SER  27  10.731  -0.287   2.523
  206    H    VAL  28           H        VAL  28  13.332  -4.113   0.080
  207    HA   VAL  28           HA       VAL  28  10.994  -3.986  -1.780
  208    HB   VAL  28           HB       VAL  28  12.165  -6.163  -2.635
  209   1HG1  VAL  28          1HG1      VAL  28  13.492  -3.467  -3.036
  210   2HG1  VAL  28          2HG1      VAL  28  12.031  -4.001  -3.867
  211   3HG1  VAL  28          3HG1      VAL  28  13.558  -4.835  -4.146
  212   1HG2  VAL  28          1HG2      VAL  28  14.536  -4.779  -1.367
  213   2HG2  VAL  28          2HG2      VAL  28  14.510  -6.341  -2.186
  214   3HG2  VAL  28          3HG2      VAL  28  13.725  -6.154  -0.618
  215    H    TRP  29           H        TRP  29   9.227  -5.175  -1.192
  216    HA   TRP  29           HA       TRP  29   9.594  -7.619   0.431
  217   1HB   TRP  29          2HB       TRP  29   8.041  -6.925   2.164
  218   2HB   TRP  29          1HB       TRP  29   9.333  -5.731   2.059
  219    HD1  TRP  29           HD       TRP  29   5.634  -6.233   1.334
  220    HE1  TRP  29           1HE      TRP  29   4.556  -3.941   0.850
  221    HE3  TRP  29           3HE      TRP  29   9.818  -3.311   1.152
  222    HZ2  TRP  29           2HZ      TRP  29   5.363  -1.227   0.440
  223    HZ3  TRP  29           3HZ      TRP  29   9.635  -0.879   0.714
  224    HH2  TRP  29           HH       TRP  29   7.415   0.165   0.358
  225    H    LYS  30           H        LYS  30   7.880  -9.087   0.175
  226    HA   LYS  30           HA       LYS  30   5.588  -8.231  -1.529
  227   1HB   LYS  30          2HB       LYS  30   7.018 -10.834  -2.056
  228   2HB   LYS  30          1HB       LYS  30   5.911  -9.951  -3.107
  229   1HG   LYS  30          2HG       LYS  30   7.592  -8.141  -3.333
  230   2HG   LYS  30          1HG       LYS  30   8.705  -9.066  -2.325
  231   1HD   LYS  30          2HD       LYS  30   8.410 -10.971  -4.016
  232   2HD   LYS  30          1HD       LYS  30   7.654  -9.775  -5.069
  233   1HE   LYS  30          2HE       LYS  30   9.682  -8.377  -4.946
  234   2HE   LYS  30          1HE       LYS  30  10.440  -9.567  -3.888
  235   1HZ   LYS  30          1HZ       LYS  30  11.118  -9.850  -6.195
  236   2HZ   LYS  30          2HZ       LYS  30   9.499 -10.078  -6.659
  237   3HZ   LYS  30          3HZ       LYS  30  10.264 -11.206  -5.641
  238    H    THR  31           H        THR  31   3.919 -10.091  -1.585
  239    HA   THR  31           HA       THR  31   3.841 -11.393   1.115
  240    HB   THR  31           HB       THR  31   1.551 -10.980   1.234
  241    HG1  THR  31           1HG      THR  31   1.704 -10.913  -1.581
  242   1HG2  THR  31          1HG2      THR  31   2.378  -8.722  -0.599
  243   2HG2  THR  31          2HG2      THR  31   2.927  -8.842   1.073
  244   3HG2  THR  31          3HG2      THR  31   1.207  -8.671   0.718
  245    H    LYS  32           H        LYS  32   2.397 -13.427   1.066
  246    HA   LYS  32           HA       LYS  32   3.490 -15.372  -0.643
  247   1HB   LYS  32          2HB       LYS  32   2.270 -15.999   1.372
  248   2HB   LYS  32          1HB       LYS  32   0.776 -15.339   0.706
  249   1HG   LYS  32          2HG       LYS  32   0.670 -17.019  -0.985
  250   2HG   LYS  32          1HG       LYS  32   2.329 -17.533  -0.677
  251   1HD   LYS  32          2HD       LYS  32   1.733 -18.450   1.465
  252   2HD   LYS  32          1HD       LYS  32   0.124 -17.729   1.389
  253   1HE   LYS  32          2HE       LYS  32   0.430 -20.262   0.760
  254   2HE   LYS  32          1HE       LYS  32  -0.626 -19.246  -0.223
  255   1HZ   LYS  32          1HZ       LYS  32   2.236 -19.772  -0.814
  256   2HZ   LYS  32          2HZ       LYS  32   1.139 -18.916  -1.789
  257   3HZ   LYS  32          3HZ       LYS  32   0.938 -20.585  -1.545
  258    H    ASP  33           H        ASP  33   0.381 -13.667  -0.978
  259    HA   ASP  33           HA       ASP  33   0.585 -13.527  -3.845
  260   1HB   ASP  33          2HB       ASP  33   0.115 -15.943  -3.678
  261   2HB   ASP  33          1HB       ASP  33  -1.330 -15.599  -2.726
  262    H    CYS  34           H        CYS  34   0.094 -11.436  -2.391
  263    HA   CYS  34           HA       CYS  34  -2.799 -10.894  -2.784
  264   1HB   CYS  34          2HB       CYS  34  -1.412 -10.027  -0.245
  265   2HB   CYS  34          1HB       CYS  34  -3.140 -10.035  -0.598
  266    H    GLU  35           H        GLU  35   0.444  -9.648  -2.103
  267    HA   GLU  35           HA       GLU  35  -0.134  -7.338  -3.852
  268   1HB   GLU  35          2HB       GLU  35  -0.795  -6.402  -1.741
  269   2HB   GLU  35          1HB       GLU  35   0.607  -7.089  -0.925
  270   1HG   GLU  35          2HG       GLU  35   2.107  -5.595  -2.011
  271   2HG   GLU  35          1HG       GLU  35   0.891  -5.116  -3.196
  272    H    GLU  36           H        GLU  36   1.905  -6.095  -4.292
  273    HA   GLU  36           HA       GLU  36   4.433  -7.465  -3.615
  274   1HB   GLU  36          2HB       GLU  36   3.689  -8.648  -5.642
  275   2HB   GLU  36          1HB       GLU  36   3.486  -7.109  -6.478
  276   1HG   GLU  36          2HG       GLU  36   5.847  -6.647  -6.370
  277   2HG   GLU  36          1HG       GLU  36   6.119  -8.019  -5.294
  278    H    CYS  37           H        CYS  37   5.233  -5.589  -2.666
  279    HA   CYS  37           HA       CYS  37   5.282  -3.125  -4.356
  280   1HB   CYS  37          2HB       CYS  37   5.207  -3.562  -1.383
  281   2HB   CYS  37          1HB       CYS  37   5.840  -2.055  -2.046
  282    H    THR  38           H        THR  38   7.205  -2.459  -5.093
  283    HA   THR  38           HA       THR  38   9.684  -3.410  -3.716
  284    HB   THR  38           HB       THR  38  10.713  -3.897  -5.790
  285    HG1  THR  38           1HG      THR  38  10.175  -2.908  -7.568
  286   1HG2  THR  38          1HG2      THR  38   9.244  -5.524  -6.830
  287   2HG2  THR  38          2HG2      THR  38   7.824  -4.721  -6.160
  288   3HG2  THR  38          3HG2      THR  38   8.961  -5.541  -5.089
  289    H    CYS  39           H        CYS  39  11.484  -1.910  -3.914
  290    HA   CYS  39           HA       CYS  39  10.583   0.884  -4.499
  291   1HB   CYS  39          2HB       CYS  39  11.377   0.229  -2.142
  292   2HB   CYS  39          1HB       CYS  39  12.990   0.103  -2.847
  293    H    GLY  40           H        GLY  40  11.251   1.435  -6.520
  294   1HA   GLY  40          2HA       GLY  40  13.786   0.345  -7.586
  295   2HA   GLY  40          1HA       GLY  40  12.604   1.291  -8.493
  296    H    GLN  41           H        GLN  41  14.756   2.380  -9.121
  297    HA   GLN  41           HA       GLN  41  16.361   3.902  -7.431
  298   1HB   GLN  41          2HB       GLN  41  15.345   4.409 -10.224
  299   2HB   GLN  41          1HB       GLN  41  16.397   5.577  -9.424
  300   1HG   GLN  41          2HG       GLN  41  17.597   3.848 -10.848
  301   2HG   GLN  41          1HG       GLN  41  18.152   3.955  -9.177
  302   1HE2  GLN  41          1HE2      GLN  41  18.675   1.815  -8.627
  303   2HE2  GLN  41          2HE2      GLN  41  17.633   0.491  -8.831
  304    H    ASP  42           H        ASP  42  14.188   5.881  -9.341
  305    HA   ASP  42           HA       ASP  42  13.364   7.278  -6.825
  306   1HB   ASP  42          2HB       ASP  42  12.910   9.216  -8.359
  307   2HB   ASP  42          1HB       ASP  42  14.603   8.726  -8.326
  308    H    ALA  43           H        ALA  43  12.024   4.887  -7.841
  309    HA   ALA  43           HA       ALA  43   9.307   6.032  -8.062
  310   1HB   ALA  43          1HB       ALA  43  10.086   5.749 -10.415
  311   2HB   ALA  43          2HB       ALA  43   8.726   4.696 -10.027
  312   3HB   ALA  43          3HB       ALA  43  10.360   4.038 -10.092
  313    H    ILE  44           H        ILE  44   7.646   4.403  -7.614
  314    HA   ILE  44           HA       ILE  44   8.714   1.924  -6.314
  315    HB   ILE  44           HB       ILE  44   6.446   3.671  -5.302
  316   1HG1  ILE  44          2HG1      ILE  44   9.202   3.183  -4.128
  317   2HG1  ILE  44          1HG1      ILE  44   8.737   4.643  -5.000
  318   1HG2  ILE  44          1HG2      ILE  44   7.759   1.183  -4.163
  319   2HG2  ILE  44          2HG2      ILE  44   6.126   1.279  -4.822
  320   3HG2  ILE  44          3HG2      ILE  44   6.533   2.149  -3.343
  321   1HD1  ILE  44          1HD1      ILE  44   7.446   3.606  -2.459
  322   2HD1  ILE  44          2HD1      ILE  44   6.932   5.041  -3.347
  323   3HD1  ILE  44          3HD1      ILE  44   8.520   5.000  -2.579
  324    H    SER  45           H        SER  45   7.709   0.097  -7.010
  325    HA   SER  45           HA       SER  45   5.220   0.415  -8.644
  326   1HB   SER  45          2HB       SER  45   7.020  -0.518  -9.955
  327   2HB   SER  45          1HB       SER  45   7.409  -1.679  -8.690
  328    HG   SER  45           HG       SER  45   5.962  -2.259 -10.620
  329    H    CYS  46           H        CYS  46   3.479  -0.055  -7.375
  330    HA   CYS  46           HA       CYS  46   3.700  -2.396  -5.516
  331   1HB   CYS  46          2HB       CYS  46   2.321   0.254  -5.286
  332   2HB   CYS  46          1HB       CYS  46   1.597  -1.143  -4.487
  333    H    CYS  47           H        CYS  47   2.514  -4.116  -6.120
  334    HA   CYS  47           HA       CYS  47   0.221  -3.680  -7.994
  335   1HB   CYS  47          2HB       CYS  47   1.525  -6.351  -7.509
  336   2HB   CYS  47          1HB       CYS  47   0.658  -5.783  -8.937
  337    H    ASN  48           H        ASN  48  -1.779  -4.080  -7.191
  338    HA   ASN  48           HA       ASN  48  -2.011  -5.845  -4.778
  339   1HB   ASN  48          2HB       ASN  48  -3.913  -4.298  -4.088
  340   2HB   ASN  48          1HB       ASN  48  -2.296  -3.607  -3.962
  341   1HD2  ASN  48          1HD2      ASN  48  -5.336  -3.452  -5.747
  342   2HD2  ASN  48          2HD2      ASN  48  -4.948  -2.064  -6.645
  343    H    THR  49           H        THR  49  -3.471  -7.466  -5.057
  344    HA   THR  49           HA       THR  49  -5.701  -7.072  -6.993
  345    HB   THR  49           HB       THR  49  -5.186  -8.943  -8.292
  346    HG1  THR  49           1HG      THR  49  -3.885 -10.598  -7.561
  347   1HG2  THR  49          1HG2      THR  49  -3.471  -7.125  -8.536
  348   2HG2  THR  49          2HG2      THR  49  -2.871  -8.726  -8.967
  349   3HG2  THR  49          3HG2      THR  49  -2.441  -8.013  -7.413
  350    H    ALA  50           H        ALA  50  -5.401  -7.332  -3.994
  351    HA   ALA  50           HA       ALA  50  -7.010  -9.829  -3.594
  352   1HB   ALA  50          1HB       ALA  50  -5.291  -8.204  -1.709
  353   2HB   ALA  50          2HB       ALA  50  -5.071  -9.883  -2.195
  354   3HB   ALA  50          3HB       ALA  50  -6.415  -9.438  -1.144
  355    H    ALA  51           H        ALA  51  -9.022  -8.869  -4.210
  356    HA   ALA  51           HA       ALA  51 -11.009  -7.684  -3.839
  357   1HB   ALA  51          1HB       ALA  51 -10.723  -8.910  -1.630
  358   2HB   ALA  51          2HB       ALA  51 -11.687  -7.436  -1.551
  359   3HB   ALA  51          3HB       ALA  51 -10.014  -7.427  -0.992
  360    H    ILE  52           H        ILE  52 -11.836  -5.509  -3.523
  361    HA   ILE  52           HA       ILE  52  -9.795  -3.426  -2.957
  362    HB   ILE  52           HB       ILE  52 -11.630  -3.102  -5.321
  363   1HG1  ILE  52          2HG1      ILE  52 -10.336  -5.256  -5.603
  364   2HG1  ILE  52          1HG1      ILE  52  -9.989  -4.035  -6.820
  365   1HG2  ILE  52          1HG2      ILE  52  -8.950  -1.957  -4.503
  366   2HG2  ILE  52          2HG2      ILE  52 -10.493  -1.109  -4.613
  367   3HG2  ILE  52          3HG2      ILE  52  -9.690  -1.672  -6.077
  368   1HD1  ILE  52          1HD1      ILE  52  -8.232  -3.784  -4.491
  369   2HD1  ILE  52          2HD1      ILE  52  -7.823  -3.891  -6.201
  370   3HD1  ILE  52          3HD1      ILE  52  -8.100  -5.360  -5.268
  371    HA   PRO  53           HA       PRO  53 -13.317  -1.933  -0.618
  372   1HB   PRO  53          2HB       PRO  53 -12.305   0.764  -0.663
  373   2HB   PRO  53          1HB       PRO  53 -12.258  -0.400   0.664
  374   1HG   PRO  53          2HG       PRO  53 -10.078   0.496  -0.977
  375   2HG   PRO  53          1HG       PRO  53 -10.032  -0.651   0.365
  376   1HD   PRO  53          2HD       PRO  53  -9.729  -1.216  -2.438
  377   2HD   PRO  53          1HD       PRO  53  -9.741  -2.375  -1.088
  378    H    THR  54           H        THR  54 -15.295  -1.425  -1.459
  379    HA   THR  54           HA       THR  54 -15.396   0.320  -3.890
  380    HB   THR  54           HB       THR  54 -17.388  -0.833  -4.524
  381    HG1  THR  54           1HG      THR  54 -17.438  -2.437  -2.259
  382   1HG2  THR  54          1HG2      THR  54 -15.113  -2.096  -4.592
  383   2HG2  THR  54          2HG2      THR  54 -16.594  -3.018  -4.848
  384   3HG2  THR  54          3HG2      THR  54 -15.790  -3.059  -3.279
  385    H    GLY  55           H        GLY  55 -17.957   1.160  -3.897
  386   1HA   GLY  55          2HA       GLY  55 -19.294   2.873  -3.005
  387   2HA   GLY  55          1HA       GLY  55 -19.195   1.948  -1.506
  388    H    TYR  56           H        TYR  56 -16.114   2.801  -2.569
  389    HA   TYR  56           HA       TYR  56 -15.831   4.730  -0.381
  390   1HB   TYR  56          2HB       TYR  56 -13.975   3.270  -0.652
  391   2HB   TYR  56          1HB       TYR  56 -13.924   3.528  -2.396
  392    HD1  TYR  56           1HD      TYR  56 -13.878   5.628   0.723
  393    HD2  TYR  56           2HD      TYR  56 -12.200   4.896  -3.163
  394    HE1  TYR  56           1HE      TYR  56 -12.294   7.507   1.053
  395    HE2  TYR  56           2HE      TYR  56 -10.617   6.775  -2.834
  396    HH   TYR  56           HH       TYR  56  -9.661   8.099  -1.158
  397    H    ASP  57           H        ASP  57 -16.252   6.862  -0.660
  398    HA   ASP  57           HA       ASP  57 -16.479   7.968  -3.382
  399   1HB   ASP  57          2HB       ASP  57 -16.996   9.099  -0.622
  400   2HB   ASP  57          1HB       ASP  57 -17.132  10.067  -2.090
  401    H    THR  58           H        THR  58 -14.470   8.336  -4.270
  402    HA   THR  58           HA       THR  58 -12.078   8.963  -2.955
  403    HB   THR  58           HB       THR  58 -11.832   8.516  -5.242
  404    HG1  THR  58           1HG      THR  58 -10.513  10.109  -5.476
  405   1HG2  THR  58          1HG2      THR  58 -13.118   9.826  -6.981
  406   2HG2  THR  58          2HG2      THR  58 -14.049  10.534  -5.661
  407   3HG2  THR  58          3HG2      THR  58 -14.114   8.796  -5.953
  408    H    ASN  59           H        ASN  59 -12.542  10.427  -1.222
  409    HA   ASN  59           HA       ASN  59 -13.259  13.213  -2.046
  410   1HB   ASN  59          2HB       ASN  59 -14.743  12.245  -0.344
  411   2HB   ASN  59          1HB       ASN  59 -13.353  11.887   0.681
  412   1HD2  ASN  59          1HD2      ASN  59 -14.396  13.364   2.318
  413   2HD2  ASN  59          2HD2      ASN  59 -14.213  15.043   2.148
  414    H    LYS  60           H        LYS  60 -11.275  11.684   0.524
  415    HA   LYS  60           HA       LYS  60  -8.883  13.090  -0.373
  416   1HB   LYS  60          2HB       LYS  60  -8.618  14.412   1.731
  417   2HB   LYS  60          1HB       LYS  60  -9.988  14.948   0.758
  418   1HG   LYS  60          2HG       LYS  60 -11.532  13.681   2.165
  419   2HG   LYS  60          1HG       LYS  60 -10.184  13.033   3.102
  420   1HD   LYS  60          2HD       LYS  60  -9.567  15.338   3.783
  421   2HD   LYS  60          1HD       LYS  60 -10.956  15.959   2.888
  422   1HE   LYS  60          2HE       LYS  60 -12.505  14.949   4.356
  423   2HE   LYS  60          1HE       LYS  60 -11.298  13.842   5.012
  424   1HZ   LYS  60          1HZ       LYS  60 -11.108  16.781   5.326
  425   2HZ   LYS  60          2HZ       LYS  60 -10.247  15.579   6.165
  426   3HZ   LYS  60          3HZ       LYS  60 -11.907  15.792   6.449
  427    H    CYS  61           H        CYS  61  -9.412  10.372   0.028
  428    HA   CYS  61           HA       CYS  61  -7.614   9.783   2.347
  429   1HB   CYS  61          2HB       CYS  61  -9.873   7.953   1.532
  430   2HB   CYS  61          1HB       CYS  61  -8.934   7.938   3.024
  431    H    GLN  62           H        GLN  62  -6.907   7.333   2.067
  432    HA   GLN  62           HA       GLN  62  -6.349   6.794  -0.819
  433   1HB   GLN  62          2HB       GLN  62  -4.023   6.319  -0.306
  434   2HB   GLN  62          1HB       GLN  62  -4.401   7.941   0.277
  435   1HG   GLN  62          2HG       GLN  62  -4.948   6.838   2.522
  436   2HG   GLN  62          1HG       GLN  62  -4.152   5.398   1.884
  437   1HE2  GLN  62          1HE2      GLN  62  -3.501   8.940   2.201
  438   2HE2  GLN  62          2HE2      GLN  62  -1.852   8.750   2.554
  439    H    LYS  63           H        LYS  63  -5.902   4.542  -1.269
  440    HA   LYS  63           HA       LYS  63  -6.908   2.698   0.868
  441   1HB   LYS  63          2HB       LYS  63  -7.338   1.175  -1.186
  442   2HB   LYS  63          1HB       LYS  63  -8.422   2.543  -0.940
  443   1HG   LYS  63          2HG       LYS  63  -7.168   3.881  -2.552
  444   2HG   LYS  63          1HG       LYS  63  -5.986   2.588  -2.742
  445   1HD   LYS  63          2HD       LYS  63  -7.348   2.155  -4.570
  446   2HD   LYS  63          1HD       LYS  63  -8.136   1.151  -3.355
  447   1HE   LYS  63          2HE       LYS  63  -8.955   4.007  -3.964
  448   2HE   LYS  63          1HE       LYS  63  -9.722   2.592  -4.681
  449   1HZ   LYS  63          1HZ       LYS  63 -11.045   2.796  -2.887
  450   2HZ   LYS  63          2HZ       LYS  63  -9.876   3.610  -1.962
  451   3HZ   LYS  63          3HZ       LYS  63  -9.808   1.920  -2.125
  452    H    ILE  64           H        ILE  64  -5.514   1.133   1.560
  453    HA   ILE  64           HA       ILE  64  -3.094   0.572  -0.108
  454    HB   ILE  64           HB       ILE  64  -2.752   2.104   1.962
  455   1HG1  ILE  64          2HG1      ILE  64  -0.640   0.798   2.577
  456   2HG1  ILE  64          1HG1      ILE  64  -1.200  -0.450   1.467
  457   1HG2  ILE  64          1HG2      ILE  64  -2.724   1.103   4.099
  458   2HG2  ILE  64          2HG2      ILE  64  -2.782  -0.529   3.432
  459   3HG2  ILE  64          3HG2      ILE  64  -4.211   0.502   3.369
  460   1HD1  ILE  64          1HD1      ILE  64  -0.855   0.865  -0.408
  461   2HD1  ILE  64          2HD1      ILE  64   0.415   1.495   0.639
  462   3HD1  ILE  64          3HD1      ILE  64  -1.102   2.374   0.471
  463    H    LEU  65           H        LEU  65  -2.160  -1.568   0.307
  464    HA   LEU  65           HA       LEU  65  -4.238  -3.505   1.232
  465   1HB   LEU  65          2HB       LEU  65  -3.225  -3.517  -1.180
  466   2HB   LEU  65          1HB       LEU  65  -1.822  -4.245  -0.405
  467    HG   LEU  65           HG       LEU  65  -4.633  -5.316  -0.061
  468   1HD1  LEU  65          1HD1      LEU  65  -4.500  -6.060  -2.184
  469   2HD1  LEU  65          2HD1      LEU  65  -3.183  -7.105  -1.657
  470   3HD1  LEU  65          3HD1      LEU  65  -2.831  -5.520  -2.345
  471   1HD2  LEU  65          1HD2      LEU  65  -1.855  -6.242   0.668
  472   2HD2  LEU  65          2HD2      LEU  65  -3.155  -7.413   0.447
  473   3HD2  LEU  65          3HD2      LEU  65  -3.297  -6.162   1.679
  474    H    ASN  66           H        ASN  66  -3.846  -4.274   3.243
  475    HA   ASN  66           HA       ASN  66  -1.182  -4.101   4.433
  476   1HB   ASN  66          2HB       ASN  66  -3.529  -3.880   5.589
  477   2HB   ASN  66          1HB       ASN  66  -3.469  -5.641   5.644
  478   1HD2  ASN  66          1HD2      ASN  66  -2.154  -6.598   7.248
  479   2HD2  ASN  66          2HD2      ASN  66  -1.143  -5.719   8.289
  480    H    LYS  67           H        LYS  67   0.312  -5.735   4.496
  481    HA   LYS  67           HA       LYS  67  -0.380  -8.262   3.124
  482   1HB   LYS  67          2HB       LYS  67   2.078  -8.684   3.251
  483   2HB   LYS  67          1HB       LYS  67   1.681  -7.166   2.445
  484   1HG   LYS  67          2HG       LYS  67   1.884  -6.483   5.166
  485   2HG   LYS  67          1HG       LYS  67   3.217  -7.603   4.889
  486   1HD   LYS  67          2HD       LYS  67   3.865  -6.236   2.881
  487   2HD   LYS  67          1HD       LYS  67   2.627  -5.066   3.339
  488   1HE   LYS  67          2HE       LYS  67   4.600  -4.207   4.314
  489   2HE   LYS  67          1HE       LYS  67   3.797  -5.031   5.649
  490   1HZ   LYS  67          1HZ       LYS  67   6.342  -5.497   4.689
  491   2HZ   LYS  67          2HZ       LYS  67   5.423  -6.839   4.197
  492   3HZ   LYS  67          3HZ       LYS  67   5.500  -6.414   5.841
  493    H    LYS  68           H        LYS  68  -0.357  -7.152   6.309
  494    HA   LYS  68           HA       LYS  68   0.804  -9.302   7.737
  495   1HB   LYS  68          2HB       LYS  68  -0.141  -7.120   8.686
  496   2HB   LYS  68          1HB       LYS  68  -1.728  -7.884   8.590
  497   1HG   LYS  68          2HG       LYS  68  -1.009  -9.682  10.058
  498   2HG   LYS  68          1HG       LYS  68   0.644  -9.066  10.061
  499   1HD   LYS  68          2HD       LYS  68   0.064  -7.165  11.332
  500   2HD   LYS  68          1HD       LYS  68  -1.653  -7.334  10.968
  501   1HE   LYS  68          2HE       LYS  68  -1.034  -8.046  13.303
  502   2HE   LYS  68          1HE       LYS  68  -1.820  -9.308  12.356
  503   1HZ   LYS  68          1HZ       LYS  68   0.700  -9.777  11.730
  504   2HZ   LYS  68          2HZ       LYS  68  -0.054 -10.485  13.078
  505   3HZ   LYS  68          3HZ       LYS  68   0.937  -9.118  13.275
  506    H    THR  69           H        THR  69  -2.589  -8.863   6.714
  507    HA   THR  69           HA       THR  69  -2.856 -11.844   6.666
  508    HB   THR  69           HB       THR  69  -5.294 -11.400   7.369
  509    HG1  THR  69           1HG      THR  69  -5.785  -9.455   8.010
  510   1HG2  THR  69          1HG2      THR  69  -3.831 -12.486   8.914
  511   2HG2  THR  69          2HG2      THR  69  -4.595 -11.174   9.810
  512   3HG2  THR  69          3HG2      THR  69  -2.942 -10.996   9.224
  513    H    CYS  70           H        CYS  70  -2.324  -9.809   4.547
  514    HA   CYS  70           HA       CYS  70  -3.120  -9.246   2.406
  515   1HB   CYS  70          2HB       CYS  70  -4.553 -11.876   2.885
  516   2HB   CYS  70          1HB       CYS  70  -4.497 -11.055   1.326
  517    H    THR  71           H        THR  71  -4.302  -7.426   3.525
  518    HA   THR  71           HA       THR  71  -7.212  -7.674   2.977
  519    HB   THR  71           HB       THR  71  -7.917  -7.060   5.103
  520    HG1  THR  71           1HG      THR  71  -6.753  -5.791   6.429
  521   1HG2  THR  71          1HG2      THR  71  -5.287  -8.427   5.730
  522   2HG2  THR  71          2HG2      THR  71  -6.734  -9.267   5.173
  523   3HG2  THR  71          3HG2      THR  71  -6.743  -8.429   6.725
  524    H    TYR  72           H        TYR  72  -8.239  -5.395   3.211
  525    HA   TYR  72           HA       TYR  72  -6.330  -3.393   2.064
  526   1HB   TYR  72          2HB       TYR  72  -8.975  -4.309   1.260
  527   2HB   TYR  72          1HB       TYR  72  -8.955  -2.563   1.498
  528    HD1  TYR  72           1HD      TYR  72  -7.402  -1.132   0.204
  529    HD2  TYR  72           2HD      TYR  72  -7.708  -5.355  -0.514
  530    HE1  TYR  72           1HE      TYR  72  -6.241  -0.846  -1.969
  531    HE2  TYR  72           2HE      TYR  72  -6.545  -5.070  -2.686
  532    HH   TYR  72           HH       TYR  72  -6.262  -2.316  -4.271
  533    H    THR  73           H        THR  73  -6.318  -1.310   2.929
  534    HA   THR  73           HA       THR  73  -8.226  -0.715   5.139
  535    HB   THR  73           HB       THR  73  -6.605  -0.409   6.747
  536    HG1  THR  73           1HG      THR  73  -4.338  -0.006   5.933
  537   1HG2  THR  73          1HG2      THR  73  -4.938  -2.154   6.644
  538   2HG2  THR  73          2HG2      THR  73  -5.045  -2.215   4.884
  539   3HG2  THR  73          3HG2      THR  73  -6.402  -2.758   5.870
  540    H    VAL  74           H        VAL  74  -8.815   1.439   5.194
  541    HA   VAL  74           HA       VAL  74  -7.539   3.207   3.143
  542    HB   VAL  74           HB       VAL  74 -10.251   3.676   4.376
  543   1HG1  VAL  74          1HG1      VAL  74  -9.058   4.328   1.663
  544   2HG1  VAL  74          2HG1      VAL  74  -9.170   5.454   3.016
  545   3HG1  VAL  74          3HG1      VAL  74 -10.638   4.842   2.254
  546   1HG2  VAL  74          1HG2      VAL  74  -9.527   1.828   2.085
  547   2HG2  VAL  74          2HG2      VAL  74 -11.155   2.455   2.340
  548   3HG2  VAL  74          3HG2      VAL  74 -10.410   1.417   3.555
  549    H    VAL  75           H        VAL  75  -6.158   4.622   4.096
  550    HA   VAL  75           HA       VAL  75  -6.846   5.668   6.816
  551    HB   VAL  75           HB       VAL  75  -4.293   6.412   6.571
  552   1HG1  VAL  75          1HG1      VAL  75  -5.302   3.635   7.237
  553   2HG1  VAL  75          2HG1      VAL  75  -5.079   4.981   8.353
  554   3HG1  VAL  75          3HG1      VAL  75  -3.678   4.202   7.619
  555   1HG2  VAL  75          1HG2      VAL  75  -4.142   5.541   4.237
  556   2HG2  VAL  75          2HG2      VAL  75  -4.476   3.921   4.846
  557   3HG2  VAL  75          3HG2      VAL  75  -2.998   4.756   5.322
  558    H    GLU  76           H        GLU  76  -6.067   8.002   7.135
  559    HA   GLU  76           HA       GLU  76  -6.796   9.579   4.697
  560   1HB   GLU  76          2HB       GLU  76  -8.231   9.727   6.812
  561   2HB   GLU  76          1HB       GLU  76  -6.862  10.550   7.560
  562   1HG   GLU  76          2HG       GLU  76  -6.909  12.268   5.808
  563   2HG   GLU  76          1HG       GLU  76  -8.244  11.436   5.011
  564    H    LYS  77           H        LYS  77  -5.329  11.021   3.896
  565    HA   LYS  77           HA       LYS  77  -2.598  10.954   4.608
  566   1HB   LYS  77          2HB       LYS  77  -4.186  13.167   3.272
  567   2HB   LYS  77          1HB       LYS  77  -2.425  13.107   3.334
  568   1HG   LYS  77          2HG       LYS  77  -3.873  10.694   2.308
  569   2HG   LYS  77          1HG       LYS  77  -3.774  12.104   1.256
  570   1HD   LYS  77          2HD       LYS  77  -1.288  11.107   2.627
  571   2HD   LYS  77          1HD       LYS  77  -1.869  10.289   1.178
  572   1HE   LYS  77          2HE       LYS  77  -1.324  13.268   1.363
  573   2HE   LYS  77          1HE       LYS  77  -0.218  12.088   0.661
  574   1HZ   LYS  77          1HZ       LYS  77  -2.064  11.449  -0.859
  575   2HZ   LYS  77          2HZ       LYS  77  -1.477  13.025  -1.094
  576   3HZ   LYS  77          3HZ       LYS  77  -2.946  12.777  -0.277
  577    H    LYS  78           H        LYS  78  -5.180  12.339   6.299
  578    HA   LYS  78           HA       LYS  78  -3.369  14.238   7.739
  579   1HB   LYS  78          2HB       LYS  78  -6.401  14.105   7.692
  580   2HB   LYS  78          1HB       LYS  78  -5.435  15.320   8.530
  581   1HG   LYS  78          2HG       LYS  78  -4.678  16.287   6.520
  582   2HG   LYS  78          1HG       LYS  78  -5.085  14.857   5.571
  583   1HD   LYS  78          2HD       LYS  78  -7.456  15.286   5.825
  584   2HD   LYS  78          1HD       LYS  78  -7.139  16.610   6.946
  585   1HE   LYS  78          2HE       LYS  78  -5.864  16.748   4.244
  586   2HE   LYS  78          1HE       LYS  78  -7.594  17.066   4.353
  587   1HZ   LYS  78          1HZ       LYS  78  -6.930  18.593   6.283
  588   2HZ   LYS  78          2HZ       LYS  78  -6.647  19.131   4.696
  589   3HZ   LYS  78          3HZ       LYS  78  -5.367  18.518   5.630
  590    H    ASP  79           H        ASP  79  -4.356  11.139   7.999
  591    HA   ASP  79           HA       ASP  79  -3.933  11.121  10.900
  592   1HB   ASP  79          2HB       ASP  79  -6.438  11.568  10.437
  593   2HB   ASP  79          1HB       ASP  79  -6.495   9.893   9.887
  594    HA   PRO  80           HA       PRO  80  -2.448   7.445   8.412
  595   1HB   PRO  80          2HB       PRO  80  -0.023   7.589   9.961
  596   2HB   PRO  80          1HB       PRO  80  -0.240   7.900   8.236
  597   1HG   PRO  80          2HG       PRO  80   0.306   9.806  10.283
  598   2HG   PRO  80          1HG       PRO  80  -0.012  10.123   8.575
  599   1HD   PRO  80          2HD       PRO  80  -1.741  10.628  10.859
  600   2HD   PRO  80          1HD       PRO  80  -2.000  11.077   9.155
  601    H    GLY  81           H        GLY  81  -4.049   7.628  10.965
  602   1HA   GLY  81          2HA       GLY  81  -3.118   5.046  12.132
  603   2HA   GLY  81          1HA       GLY  81  -3.476   6.393  13.213
  604    H    LYS  82           H        LYS  82  -5.748   7.418  11.786
  605    HA   LYS  82           HA       LYS  82  -7.727   5.357  12.582
  606   1HB   LYS  82          2HB       LYS  82  -7.927   8.305  11.942
  607   2HB   LYS  82          1HB       LYS  82  -9.354   7.295  12.166
  608   1HG   LYS  82          2HG       LYS  82  -7.136   7.418  14.219
  609   2HG   LYS  82          1HG       LYS  82  -8.492   8.544  14.241
  610   1HD   LYS  82          2HD       LYS  82  -9.950   6.350  14.101
  611   2HD   LYS  82          1HD       LYS  82  -8.490   5.573  14.713
  612   1HE   LYS  82          2HE       LYS  82  -8.456   7.243  16.584
  613   2HE   LYS  82          1HE       LYS  82 -10.009   7.851  16.012
  614   1HZ   LYS  82          1HZ       LYS  82 -11.090   6.070  16.797
  615   2HZ   LYS  82          2HZ       LYS  82  -9.729   5.877  17.795
  616   3HZ   LYS  82          3HZ       LYS  82  -9.866   4.982  16.357
  617    H    THR  83           H        THR  83  -9.491   4.786  11.139
  618    HA   THR  83           HA       THR  83  -8.599   4.571   8.350
  619    HB   THR  83           HB       THR  83 -10.690   3.220   8.086
  620    HG1  THR  83           1HG      THR  83 -11.973   4.243   9.608
  621   1HG2  THR  83          1HG2      THR  83  -9.929   1.356   9.402
  622   2HG2  THR  83          2HG2      THR  83  -9.127   2.427  10.552
  623   3HG2  THR  83          3HG2      THR  83  -8.500   2.265   8.913
  624    H    CYS  84           H        CYS  84  -9.791   5.402   6.547
  625    HA   CYS  84           HA       CYS  84 -11.176   7.935   7.136
  626   1HB   CYS  84          2HB       CYS  84  -9.513   7.069   5.082
  627   2HB   CYS  84          1HB       CYS  84 -11.104   7.092   4.324
  628    H    ASP  85           H        ASP  85 -12.977   8.025   4.974
  629    HA   ASP  85           HA       ASP  85 -15.214   6.564   6.099
  630   1HB   ASP  85          2HB       ASP  85 -14.923   8.167   3.541
  631   2HB   ASP  85          1HB       ASP  85 -16.450   7.495   4.115
  632    H    VAL  86           H        VAL  86 -15.375   4.391   5.804
  633    HA   VAL  86           HA       VAL  86 -14.619   3.263   3.134
  634    HB   VAL  86           HB       VAL  86 -14.891   1.725   5.721
  635   1HG1  VAL  86          1HG1      VAL  86 -13.662   1.195   3.010
  636   2HG1  VAL  86          2HG1      VAL  86 -14.912   0.268   3.838
  637   3HG1  VAL  86          3HG1      VAL  86 -13.251   0.231   4.428
  638   1HG2  VAL  86          1HG2      VAL  86 -12.522   3.204   4.564
  639   2HG2  VAL  86          2HG2      VAL  86 -12.326   1.857   5.687
  640   3HG2  VAL  86          3HG2      VAL  86 -13.180   3.313   6.196
  641    H    THR  87           H        THR  87 -15.967   1.204   2.637
  642    HA   THR  87           HA       THR  87 -18.772   1.491   3.614
  643    HB   THR  87           HB       THR  87 -17.993   1.166   0.703
  644    HG1  THR  87           1HG      THR  87 -17.881   3.244   0.717
  645   1HG2  THR  87          1HG2      THR  87 -20.620   1.403   2.173
  646   2HG2  THR  87          2HG2      THR  87 -20.101   0.127   1.072
  647   3HG2  THR  87          3HG2      THR  87 -20.477   1.731   0.446
  648    H    GLY  88           H        GLY  88 -16.425  -0.501   1.839
  649   1HA   GLY  88          2HA       GLY  88 -16.903  -2.867   3.284
  650   2HA   GLY  88          1HA       GLY  88 -18.007  -2.904   1.907
  651    H    TRP  89           H        TRP  89 -16.753  -4.779   1.153
  652    HA   TRP  89           HA       TRP  89 -14.474  -3.912  -0.525
  653   1HB   TRP  89          2HB       TRP  89 -14.172  -6.421   1.117
  654   2HB   TRP  89          1HB       TRP  89 -12.923  -5.468   0.315
  655    HD1  TRP  89           HD       TRP  89 -12.406  -3.008   1.409
  656    HE1  TRP  89           1HE      TRP  89 -12.486  -2.265   3.876
  657    HE3  TRP  89           3HE      TRP  89 -15.277  -6.751   3.364
  658    HZ2  TRP  89           2HZ      TRP  89 -13.619  -3.142   6.352
  659    HZ3  TRP  89           3HZ      TRP  89 -15.841  -6.774   5.777
  660    HH2  TRP  89           HH       TRP  89 -15.016  -4.975   7.273
  661    H    VAL  90           H        VAL  90 -14.130  -5.336  -2.327
  662    HA   VAL  90           HA       VAL  90 -16.425  -7.197  -2.814
  663    HB   VAL  90           HB       VAL  90 -16.207  -5.253  -4.370
  664   1HG1  VAL  90          1HG1      VAL  90 -13.684  -6.601  -5.347
  665   2HG1  VAL  90          2HG1      VAL  90 -13.646  -5.280  -4.180
  666   3HG1  VAL  90          3HG1      VAL  90 -14.313  -5.014  -5.791
  667   1HG2  VAL  90          1HG2      VAL  90 -17.133  -7.516  -5.053
  668   2HG2  VAL  90          2HG2      VAL  90 -15.546  -7.880  -5.731
  669   3HG2  VAL  90          3HG2      VAL  90 -16.499  -6.547  -6.384
  670    H    LEU  91           H        LEU  91 -15.976  -9.330  -3.258
  671    HA   LEU  91           HA       LEU  91 -13.287 -10.302  -2.749
  672   1HB   LEU  91          2HB       LEU  91 -15.635 -11.448  -2.340
  673   2HB   LEU  91          1HB       LEU  91 -15.418 -12.018  -3.994
  674    HG   LEU  91           HG       LEU  91 -13.462 -12.420  -1.709
  675   1HD1  LEU  91          1HD1      LEU  91 -15.376 -13.862  -1.432
  676   2HD1  LEU  91          2HD1      LEU  91 -14.071 -14.843  -2.100
  677   3HD1  LEU  91          3HD1      LEU  91 -15.374 -14.280  -3.145
  678   1HD2  LEU  91          1HD2      LEU  91 -12.159 -12.290  -3.684
  679   2HD2  LEU  91          2HD2      LEU  91 -13.392 -13.097  -4.654
  680   3HD2  LEU  91          3HD2      LEU  91 -12.449 -14.017  -3.482
  Start of MODEL    8
    1   1H    GLN   1          1HT       GLN   1  -1.921  -7.854 -11.923
    2   2H    GLN   1          2HT       GLN   1  -1.280  -7.552 -13.468
    3   3H    GLN   1          3HT       GLN   1  -2.912  -7.991 -13.293
    4    HA   GLN   1           HA       GLN   1  -2.427  -5.552 -13.707
    5   1HB   GLN   1          2HB       GLN   1  -4.579  -6.545 -12.814
    6   2HB   GLN   1          1HB       GLN   1  -3.968  -6.236 -11.189
    7   1HG   GLN   1          2HG       GLN   1  -3.842  -3.859 -11.617
    8   2HG   GLN   1          1HG       GLN   1  -4.237  -4.099 -13.319
    9   1HE2  GLN   1          1HE2      GLN   1  -6.110  -2.565 -12.750
   10   2HE2  GLN   1          2HE2      GLN   1  -7.518  -3.251 -12.095
   11    H    CYS   2           H        CYS   2  -1.313  -3.776 -12.966
   12    HA   CYS   2           HA       CYS   2  -0.468  -3.568 -10.174
   13   1HB   CYS   2          2HB       CYS   2   1.224  -5.117 -11.301
   14   2HB   CYS   2          1HB       CYS   2   1.705  -3.727 -12.274
   15    H    TYR   3           H        TYR   3   0.947  -1.515  -9.937
   16    HA   TYR   3           HA       TYR   3   0.419   0.465 -12.092
   17   1HB   TYR   3          2HB       TYR   3  -1.483   0.724 -10.607
   18   2HB   TYR   3          1HB       TYR   3  -0.429   0.756  -9.194
   19    HD1  TYR   3           1HD      TYR   3  -0.604   2.485 -12.531
   20    HD2  TYR   3           2HD      TYR   3  -0.068   2.868  -8.285
   21    HE1  TYR   3           1HE      TYR   3  -0.339   4.937 -12.783
   22    HE2  TYR   3           2HE      TYR   3   0.195   5.320  -8.540
   23    HH   TYR   3           HH       TYR   3   0.438   6.821 -11.700
   24    H    PHE   4           H        PHE   4   1.758   2.421 -11.831
   25    HA   PHE   4           HA       PHE   4   4.254   1.837 -10.281
   26   1HB   PHE   4          2HB       PHE   4   3.704   3.081 -12.934
   27   2HB   PHE   4          1HB       PHE   4   5.020   3.784 -11.996
   28    HD1  PHE   4           1HD      PHE   4   3.761   0.269 -12.406
   29    HD2  PHE   4           2HD      PHE   4   7.071   2.982 -12.773
   30    HE1  PHE   4           1HE      PHE   4   5.233  -1.616 -13.062
   31    HE2  PHE   4           2HE      PHE   4   8.543   1.098 -13.430
   32    HZ   PHE   4           HZ       PHE   4   7.625  -1.201 -13.573
   33    H    ILE   5           H        ILE   5   5.139   3.473  -8.987
   34    HA   ILE   5           HA       ILE   5   3.509   5.956  -8.648
   35    HB   ILE   5           HB       ILE   5   4.483   4.040  -6.529
   36   1HG1  ILE   5          2HG1      ILE   5   1.782   5.360  -6.845
   37   2HG1  ILE   5          1HG1      ILE   5   2.184   3.857  -7.678
   38   1HG2  ILE   5          1HG2      ILE   5   3.533   5.869  -4.956
   39   2HG2  ILE   5          2HG2      ILE   5   3.758   6.963  -6.321
   40   3HG2  ILE   5          3HG2      ILE   5   5.145   6.122  -5.624
   41   1HD1  ILE   5          1HD1      ILE   5   2.787   2.858  -5.459
   42   2HD1  ILE   5          2HD1      ILE   5   1.085   3.303  -5.588
   43   3HD1  ILE   5          3HD1      ILE   5   2.201   4.331  -4.686
   44    HA   PRO   6           HA       PRO   6   7.912   7.107  -9.307
   45   1HB   PRO   6          2HB       PRO   6   7.004   9.805  -9.756
   46   2HB   PRO   6          1HB       PRO   6   7.640   8.653 -10.933
   47   1HG   PRO   6          2HG       PRO   6   4.947   9.555 -10.673
   48   2HG   PRO   6          1HG       PRO   6   5.569   8.332 -11.785
   49   1HD   PRO   6          2HD       PRO   6   3.925   7.950  -9.419
   50   2HD   PRO   6          1HD       PRO   6   4.443   6.733 -10.614
   51    H    ASN   7           H        ASN   7   9.141   7.508  -7.526
   52    HA   ASN   7           HA       ASN   7   8.259   8.361  -5.027
   53   1HB   ASN   7          2HB       ASN   7  10.489   7.419  -5.361
   54   2HB   ASN   7          1HB       ASN   7  10.974   8.836  -6.292
   55   1HD2  ASN   7          1HD2      ASN   7  11.299   7.533  -3.266
   56   2HD2  ASN   7          2HD2      ASN   7  11.465   8.955  -2.355
   57    H    GLN   8           H        GLN   8   8.231  10.388  -3.945
   58    HA   GLN   8           HA       GLN   8   8.625  12.824  -5.601
   59   1HB   GLN   8          2HB       GLN   8   6.432  13.702  -4.631
   60   2HB   GLN   8          1HB       GLN   8   6.275  12.456  -5.868
   61   1HG   GLN   8          2HG       GLN   8   6.361  11.775  -2.926
   62   2HG   GLN   8          1HG       GLN   8   4.849  12.163  -3.747
   63   1HE2  GLN   8          1HE2      GLN   8   6.930   9.596  -2.991
   64   2HE2  GLN   8          2HE2      GLN   8   6.370   8.476  -4.137
   65    H    SER   9           H        SER   9   9.526  11.237  -2.974
   66    HA   SER   9           HA       SER   9   9.155  13.161  -0.849
   67   1HB   SER   9          2HB       SER   9   9.670  10.827  -0.338
   68   2HB   SER   9          1HB       SER   9  11.197  10.944  -1.209
   69    HG   SER   9           HG       SER   9  10.791  12.870   0.724
   70    H    LEU  10           H        LEU  10  10.976  14.414   0.127
   71    HA   LEU  10           HA       LEU  10  12.503  15.778  -1.996
   72   1HB   LEU  10          2HB       LEU  10  12.634  16.378   0.963
   73   2HB   LEU  10          1HB       LEU  10  12.926  17.471  -0.390
   74    HG   LEU  10           HG       LEU  10  10.261  16.259   0.397
   75   1HD1  LEU  10          1HD1      LEU  10  11.066  18.155   1.801
   76   2HD1  LEU  10          2HD1      LEU  10   9.634  18.578   0.864
   77   3HD1  LEU  10          3HD1      LEU  10  11.223  19.136   0.345
   78   1HD2  LEU  10          1HD2      LEU  10  11.143  17.899  -1.984
   79   2HD2  LEU  10          2HD2      LEU  10   9.463  17.877  -1.447
   80   3HD2  LEU  10          3HD2      LEU  10  10.241  16.385  -1.976
   81    H    LYS  11           H        LYS  11  12.999  13.049  -0.242
   82    HA   LYS  11           HA       LYS  11  15.937  13.517   0.060
   83   1HB   LYS  11          2HB       LYS  11  14.042  11.555   1.356
   84   2HB   LYS  11          1HB       LYS  11  15.792  11.374   1.444
   85   1HG   LYS  11          2HG       LYS  11  14.555  14.015   2.173
   86   2HG   LYS  11          1HG       LYS  11  14.502  12.693   3.338
   87   1HD   LYS  11          2HD       LYS  11  17.129  13.248   2.021
   88   2HD   LYS  11          1HD       LYS  11  16.571  14.401   3.231
   89   1HE   LYS  11          2HE       LYS  11  17.998  12.480   4.114
   90   2HE   LYS  11          1HE       LYS  11  16.449  12.716   4.922
   91   1HZ   LYS  11          1HZ       LYS  11  15.587  11.040   3.215
   92   2HZ   LYS  11          2HZ       LYS  11  16.519  10.452   4.509
   93   3HZ   LYS  11          3HZ       LYS  11  17.217  10.639   2.971
   94    HA   PRO  12           HA       PRO  12  15.770  10.901  -3.696
   95   1HB   PRO  12          2HB       PRO  12  18.620  11.261  -3.942
   96   2HB   PRO  12          1HB       PRO  12  17.338  11.961  -4.932
   97   1HG   PRO  12          2HG       PRO  12  19.001  13.304  -3.045
   98   2HG   PRO  12          1HG       PRO  12  17.659  13.982  -3.973
   99   1HD   PRO  12          2HD       PRO  12  17.761  13.369  -1.134
  100   2HD   PRO  12          1HD       PRO  12  16.454  14.165  -2.047
  101    H    ASN  13           H        ASN  13  15.827   9.687  -1.118
  102    HA   ASN  13           HA       ASN  13  17.177   7.221  -1.727
  103   1HB   ASN  13          2HB       ASN  13  19.096   8.670  -0.933
  104   2HB   ASN  13          1HB       ASN  13  18.289   8.760   0.634
  105   1HD2  ASN  13          1HD2      ASN  13  19.711   7.449   1.881
  106   2HD2  ASN  13          2HD2      ASN  13  20.017   5.816   1.536
  107    H    GLU  14           H        GLU  14  14.529   7.884  -1.100
  108    HA   GLU  14           HA       GLU  14  14.162   6.283   1.366
  109   1HB   GLU  14          2HB       GLU  14  13.137   9.090   0.936
  110   2HB   GLU  14          1HB       GLU  14  12.330   7.973   2.037
  111   1HG   GLU  14          2HG       GLU  14  14.432   7.660   3.275
  112   2HG   GLU  14          1HG       GLU  14  15.247   8.771   2.174
  113    H    CYS  15           H        CYS  15  11.661   5.952   1.632
  114    HA   CYS  15           HA       CYS  15  10.384   5.650  -1.058
  115   1HB   CYS  15          2HB       CYS  15  10.694   3.562   1.111
  116   2HB   CYS  15          1HB       CYS  15   9.470   3.435  -0.153
  117    H    GLN  16           H        GLN  16   9.202   7.599  -0.338
  118    HA   GLN  16           HA       GLN  16   7.306   7.146   1.913
  119   1HB   GLN  16          2HB       GLN  16   8.645   9.290   1.748
  120   2HB   GLN  16          1HB       GLN  16   7.718   9.673   0.295
  121   1HG   GLN  16          2HG       GLN  16   5.635   9.624   1.546
  122   2HG   GLN  16          1HG       GLN  16   6.477   9.073   2.995
  123   1HE2  GLN  16          1HE2      GLN  16   5.890  11.880   0.923
  124   2HE2  GLN  16          2HE2      GLN  16   6.574  13.024   1.974
  125    H    ASP  17           H        ASP  17   5.115   6.923   1.560
  126    HA   ASP  17           HA       ASP  17   3.978   7.589  -1.076
  127   1HB   ASP  17          2HB       ASP  17   4.961   5.054  -0.792
  128   2HB   ASP  17          1HB       ASP  17   3.312   4.826  -0.211
  129    H    LEU  18           H        LEU  18   1.583   7.473  -1.006
  130    HA   LEU  18           HA       LEU  18  -0.368   8.163   0.134
  131   1HB   LEU  18          2HB       LEU  18   0.554   5.778   1.769
  132   2HB   LEU  18          1HB       LEU  18  -1.032   6.527   1.934
  133    HG   LEU  18           HG       LEU  18  -1.219   6.169  -0.645
  134   1HD1  LEU  18          1HD1      LEU  18   1.063   4.337   0.119
  135   2HD1  LEU  18          2HD1      LEU  18   0.993   5.492  -1.210
  136   3HD1  LEU  18          3HD1      LEU  18   0.033   4.017  -1.274
  137   1HD2  LEU  18          1HD2      LEU  18  -2.145   3.924  -0.276
  138   2HD2  LEU  18          2HD2      LEU  18  -2.555   4.978   1.076
  139   3HD2  LEU  18          3HD2      LEU  18  -1.259   3.795   1.244
  140    H    LYS  19           H        LYS  19  -0.701   7.730   3.094
  141    HA   LYS  19           HA       LYS  19   1.070   9.969   4.003
  142   1HB   LYS  19          2HB       LYS  19  -1.640  10.059   3.853
  143   2HB   LYS  19          1HB       LYS  19  -1.454   9.408   5.479
  144   1HG   LYS  19          2HG       LYS  19  -1.429  11.741   5.820
  145   2HG   LYS  19          1HG       LYS  19   0.280  11.307   5.820
  146   1HD   LYS  19          2HD       LYS  19  -0.165  11.744   3.140
  147   2HD   LYS  19          1HD       LYS  19  -1.253  12.923   3.872
  148   1HE   LYS  19          2HE       LYS  19   0.587  13.861   5.182
  149   2HE   LYS  19          1HE       LYS  19   1.689  12.634   4.554
  150   1HZ   LYS  19          1HZ       LYS  19   0.229  14.196   2.583
  151   2HZ   LYS  19          2HZ       LYS  19   1.836  13.644   2.562
  152   3HZ   LYS  19          3HZ       LYS  19   1.420  15.027   3.459
  153    H    GLY  20           H        GLY  20   0.766   6.722   4.243
  154   1HA   GLY  20          2HA       GLY  20   1.657   6.710   7.106
  155   2HA   GLY  20          1HA       GLY  20   0.703   5.408   6.403
  156    H    VAL  21           H        VAL  21   2.334   5.659   3.835
  157    HA   VAL  21           HA       VAL  21   4.349   3.713   4.606
  158    HB   VAL  21           HB       VAL  21   4.037   5.157   1.964
  159   1HG1  VAL  21          1HG1      VAL  21   5.142   3.051   1.120
  160   2HG1  VAL  21          2HG1      VAL  21   5.435   2.603   2.800
  161   3HG1  VAL  21          3HG1      VAL  21   6.180   4.056   2.132
  162   1HG2  VAL  21          1HG2      VAL  21   2.746   3.132   1.300
  163   2HG2  VAL  21          2HG2      VAL  21   1.949   4.032   2.590
  164   3HG2  VAL  21          3HG2      VAL  21   2.837   2.555   2.964
  165    H    SER  22           H        SER  22   6.544   4.016   4.858
  166    HA   SER  22           HA       SER  22   8.007   6.303   3.964
  167   1HB   SER  22          2HB       SER  22   6.917   7.670   5.550
  168   2HB   SER  22          1HB       SER  22   6.889   6.394   6.763
  169    HG   SER  22           HG       SER  22   8.788   7.022   7.388
  170    H    HIS  23           H        HIS  23   9.728   4.947   3.521
  171    HA   HIS  23           HA       HIS  23  11.173   3.844   5.850
  172   1HB   HIS  23          2HB       HIS  23  10.212   2.159   3.521
  173   2HB   HIS  23          1HB       HIS  23  11.432   1.625   4.677
  174    HD1  HIS  23           1HD      HIS  23   7.768   2.442   4.400
  175    HD2  HIS  23           2HD      HIS  23  10.426   0.945   7.241
  176    HE1  HIS  23           1HE      HIS  23   6.356   1.575   6.316
  177    HA   PRO  24           HA       PRO  24  14.652   5.342   3.536
  178   1HB   PRO  24          2HB       PRO  24  16.338   3.103   4.201
  179   2HB   PRO  24          1HB       PRO  24  16.332   4.718   4.916
  180   1HG   PRO  24          2HG       PRO  24  15.354   2.248   6.055
  181   2HG   PRO  24          1HG       PRO  24  15.468   3.839   6.813
  182   1HD   PRO  24          2HD       PRO  24  13.084   2.494   6.022
  183   2HD   PRO  24          1HD       PRO  24  13.224   4.177   6.587
  184    H    LEU  25           H        LEU  25  16.050   4.756   1.669
  185    HA   LEU  25           HA       LEU  25  14.698   3.242  -0.316
  186   1HB   LEU  25          2HB       LEU  25  16.755   5.010  -0.365
  187   2HB   LEU  25          1HB       LEU  25  17.652   3.509  -0.570
  188    HG   LEU  25           HG       LEU  25  15.942   2.927  -2.402
  189   1HD1  LEU  25          1HD1      LEU  25  15.095   5.167  -3.471
  190   2HD1  LEU  25          2HD1      LEU  25  15.268   5.809  -1.839
  191   3HD1  LEU  25          3HD1      LEU  25  14.183   4.454  -2.143
  192   1HD2  LEU  25          1HD2      LEU  25  17.136   4.432  -4.060
  193   2HD2  LEU  25          2HD2      LEU  25  18.201   3.510  -3.000
  194   3HD2  LEU  25          3HD2      LEU  25  17.905   5.219  -2.681
  195    H    ASN  26           H        ASN  26  16.745   1.624  -1.435
  196    HA   ASN  26           HA       ASN  26  17.201  -0.696  -1.385
  197   1HB   ASN  26          2HB       ASN  26  18.767  -1.271   0.489
  198   2HB   ASN  26          1HB       ASN  26  19.219   0.197  -0.376
  199   1HD2  ASN  26          1HD2      ASN  26  17.759  -0.996   2.649
  200   2HD2  ASN  26          2HD2      ASN  26  17.965   0.449   3.513
  201    H    SER  27           H        SER  27  14.655  -0.721  -0.882
  202    HA   SER  27           HA       SER  27  14.354  -2.647   1.350
  203   1HB   SER  27          2HB       SER  27  13.782  -0.469   2.352
  204   2HB   SER  27          1HB       SER  27  12.633  -0.164   1.053
  205    HG   SER  27           HG       SER  27  12.561  -2.197   3.031
  206    H    VAL  28           H        VAL  28  13.994  -4.216  -0.299
  207    HA   VAL  28           HA       VAL  28  11.542  -3.815  -1.962
  208    HB   VAL  28           HB       VAL  28  12.592  -5.910  -3.141
  209   1HG1  VAL  28          1HG1      VAL  28  13.924  -4.432  -4.581
  210   2HG1  VAL  28          2HG1      VAL  28  13.918  -3.190  -3.328
  211   3HG1  VAL  28          3HG1      VAL  28  12.414  -3.641  -4.129
  212   1HG2  VAL  28          1HG2      VAL  28  14.295  -6.133  -1.246
  213   2HG2  VAL  28          2HG2      VAL  28  15.084  -4.708  -1.923
  214   3HG2  VAL  28          3HG2      VAL  28  14.951  -6.182  -2.882
  215    H    TRP  29           H        TRP  29   9.780  -4.992  -1.367
  216    HA   TRP  29           HA       TRP  29  10.180  -7.600   0.003
  217   1HB   TRP  29          2HB       TRP  29   8.586  -7.017   1.766
  218   2HB   TRP  29          1HB       TRP  29   9.923  -5.867   1.776
  219    HD1  TRP  29           HD       TRP  29   6.228  -6.178   0.898
  220    HE1  TRP  29           1HE      TRP  29   5.240  -3.818   0.588
  221    HE3  TRP  29           3HE      TRP  29  10.502  -3.391   1.141
  222    HZ2  TRP  29           2HZ      TRP  29   6.141  -1.107   0.459
  223    HZ3  TRP  29           3HZ      TRP  29  10.406  -0.924   0.921
  224    HH2  TRP  29           HH       TRP  29   8.234   0.220   0.581
  225    H    LYS  30           H        LYS  30   8.722  -9.097  -0.719
  226    HA   LYS  30           HA       LYS  30   6.171  -8.179  -1.915
  227   1HB   LYS  30          2HB       LYS  30   6.546  -9.662  -3.885
  228   2HB   LYS  30          1HB       LYS  30   7.652  -8.290  -3.823
  229   1HG   LYS  30          2HG       LYS  30   9.227  -9.940  -2.538
  230   2HG   LYS  30          1HG       LYS  30   8.209 -11.192  -3.252
  231   1HD   LYS  30          2HD       LYS  30   8.631 -10.256  -5.492
  232   2HD   LYS  30          1HD       LYS  30   9.661  -9.015  -4.776
  233   1HE   LYS  30          2HE       LYS  30  10.208 -11.938  -4.273
  234   2HE   LYS  30          1HE       LYS  30  10.800 -11.151  -5.736
  235   1HZ   LYS  30          1HZ       LYS  30  12.527 -10.749  -4.334
  236   2HZ   LYS  30          2HZ       LYS  30  11.551 -10.695  -2.944
  237   3HZ   LYS  30          3HZ       LYS  30  11.593  -9.371  -4.009
  238    H    THR  31           H        THR  31   4.509  -9.632  -1.550
  239    HA   THR  31           HA       THR  31   5.082 -11.873   0.247
  240    HB   THR  31           HB       THR  31   2.729 -12.044   0.518
  241    HG1  THR  31           1HG      THR  31   1.437 -11.784  -1.104
  242   1HG2  THR  31          1HG2      THR  31   2.055  -9.806   1.038
  243   2HG2  THR  31          2HG2      THR  31   3.137  -9.129  -0.179
  244   3HG2  THR  31          3HG2      THR  31   3.800  -9.866   1.280
  245    H    LYS  32           H        LYS  32   3.381 -13.861  -0.482
  246    HA   LYS  32           HA       LYS  32   4.601 -14.828  -3.023
  247   1HB   LYS  32          2HB       LYS  32   3.034 -16.422  -0.977
  248   2HB   LYS  32          1HB       LYS  32   4.059 -17.049  -2.266
  249   1HG   LYS  32          2HG       LYS  32   5.625 -17.158  -0.596
  250   2HG   LYS  32          1HG       LYS  32   5.851 -15.454  -0.986
  251   1HD   LYS  32          2HD       LYS  32   4.160 -14.872   0.760
  252   2HD   LYS  32          1HD       LYS  32   4.063 -16.579   1.192
  253   1HE   LYS  32          2HE       LYS  32   6.580 -16.504   1.563
  254   2HE   LYS  32          1HE       LYS  32   6.462 -14.750   1.423
  255   1HZ   LYS  32          1HZ       LYS  32   4.822 -16.330   3.318
  256   2HZ   LYS  32          2HZ       LYS  32   5.042 -14.645   3.284
  257   3HZ   LYS  32          3HZ       LYS  32   6.325 -15.664   3.736
  258    H    ASP  33           H        ASP  33   1.574 -13.881  -1.599
  259    HA   ASP  33           HA       ASP  33   0.256 -13.937  -4.181
  260   1HB   ASP  33          2HB       ASP  33  -1.571 -15.536  -3.378
  261   2HB   ASP  33          1HB       ASP  33  -0.028 -16.280  -3.797
  262    H    CYS  34           H        CYS  34   0.568 -11.773  -2.666
  263    HA   CYS  34           HA       CYS  34  -2.178 -11.174  -1.768
  264   1HB   CYS  34          2HB       CYS  34   0.247 -10.988   0.030
  265   2HB   CYS  34          1HB       CYS  34  -1.248 -10.108   0.349
  266    H    GLU  35           H        GLU  35   1.125  -9.815  -1.767
  267    HA   GLU  35           HA       GLU  35   0.246  -7.651  -3.553
  268   1HB   GLU  35          2HB       GLU  35  -0.421  -6.733  -1.397
  269   2HB   GLU  35          1HB       GLU  35   1.164  -7.101  -0.715
  270   1HG   GLU  35          2HG       GLU  35   2.246  -5.482  -2.079
  271   2HG   GLU  35          1HG       GLU  35   0.840  -5.316  -3.131
  272    H    GLU  36           H        GLU  36   2.107  -6.339  -4.274
  273    HA   GLU  36           HA       GLU  36   4.780  -7.483  -3.636
  274   1HB   GLU  36          2HB       GLU  36   3.900  -6.997  -6.490
  275   2HB   GLU  36          1HB       GLU  36   5.348  -7.834  -5.929
  276   1HG   GLU  36          2HG       GLU  36   3.920  -9.598  -4.925
  277   2HG   GLU  36          1HG       GLU  36   2.492  -8.779  -5.557
  278    H    CYS  37           H        CYS  37   5.517  -5.579  -2.697
  279    HA   CYS  37           HA       CYS  37   5.405  -3.116  -4.391
  280   1HB   CYS  37          2HB       CYS  37   5.261  -3.536  -1.423
  281   2HB   CYS  37          1HB       CYS  37   5.897  -2.018  -2.054
  282    H    THR  38           H        THR  38   7.308  -2.293  -5.051
  283    HA   THR  38           HA       THR  38   9.812  -3.208  -3.681
  284    HB   THR  38           HB       THR  38  10.907  -3.298  -5.866
  285    HG1  THR  38           1HG      THR  38  10.033  -2.141  -7.360
  286   1HG2  THR  38          1HG2      THR  38   9.509  -5.146  -6.909
  287   2HG2  THR  38          2HG2      THR  38   8.301  -4.816  -5.665
  288   3HG2  THR  38          3HG2      THR  38   9.910  -5.374  -5.207
  289    H    CYS  39           H        CYS  39  11.612  -1.660  -3.928
  290    HA   CYS  39           HA       CYS  39  10.609   1.150  -4.197
  291   1HB   CYS  39          2HB       CYS  39  12.589  -0.179  -2.400
  292   2HB   CYS  39          1HB       CYS  39  12.944   1.474  -2.902
  293    H    GLY  40           H        GLY  40  10.997   1.468  -6.411
  294   1HA   GLY  40          2HA       GLY  40  13.471   0.657  -7.686
  295   2HA   GLY  40          1HA       GLY  40  12.264   1.741  -8.380
  296    H    GLN  41           H        GLN  41  15.371   1.787  -7.815
  297    HA   GLN  41           HA       GLN  41  15.976   3.912  -6.072
  298   1HB   GLN  41          2HB       GLN  41  17.289   3.185  -8.708
  299   2HB   GLN  41          1HB       GLN  41  17.987   4.269  -7.505
  300   1HG   GLN  41          2HG       GLN  41  17.701   2.340  -5.833
  301   2HG   GLN  41          1HG       GLN  41  17.416   1.314  -7.240
  302   1HE2  GLN  41          1HE2      GLN  41  19.395   3.359  -8.668
  303   2HE2  GLN  41          2HE2      GLN  41  20.916   2.730  -8.251
  304    H    ASP  42           H        ASP  42  14.033   4.016  -8.822
  305    HA   ASP  42           HA       ASP  42  14.333   6.995  -8.963
  306   1HB   ASP  42          2HB       ASP  42  15.275   5.894 -10.991
  307   2HB   ASP  42          1HB       ASP  42  13.708   5.138 -11.279
  308    H    ALA  43           H        ALA  43  12.270   4.260  -8.628
  309    HA   ALA  43           HA       ALA  43   9.982   6.015  -8.131
  310   1HB   ALA  43          1HB       ALA  43   9.710   5.861 -10.517
  311   2HB   ALA  43          2HB       ALA  43   8.530   4.763  -9.799
  312   3HB   ALA  43          3HB       ALA  43  10.017   4.124 -10.497
  313    H    ILE  44           H        ILE  44   7.976   4.479  -7.698
  314    HA   ILE  44           HA       ILE  44   8.964   2.011  -6.313
  315    HB   ILE  44           HB       ILE  44   6.714   3.793  -5.343
  316   1HG1  ILE  44          2HG1      ILE  44   9.644   3.716  -4.559
  317   2HG1  ILE  44          1HG1      ILE  44   8.757   5.092  -5.215
  318   1HG2  ILE  44          1HG2      ILE  44   6.801   2.468  -3.363
  319   2HG2  ILE  44          2HG2      ILE  44   8.339   1.739  -3.829
  320   3HG2  ILE  44          3HG2      ILE  44   6.863   1.314  -4.696
  321   1HD1  ILE  44          1HD1      ILE  44   8.451   3.807  -2.498
  322   2HD1  ILE  44          2HD1      ILE  44   7.223   4.881  -3.169
  323   3HD1  ILE  44          3HD1      ILE  44   8.853   5.483  -2.869
  324    H    SER  45           H        SER  45   7.910   0.198  -6.963
  325    HA   SER  45           HA       SER  45   5.373   0.537  -8.517
  326   1HB   SER  45          2HB       SER  45   7.222  -0.478  -9.786
  327   2HB   SER  45          1HB       SER  45   7.406  -1.716  -8.548
  328    HG   SER  45           HG       SER  45   5.313  -2.424  -9.027
  329    H    CYS  46           H        CYS  46   3.554  -0.604  -7.871
  330    HA   CYS  46           HA       CYS  46   3.830  -2.588  -5.674
  331   1HB   CYS  46          2HB       CYS  46   2.357   0.023  -5.547
  332   2HB   CYS  46          1HB       CYS  46   1.704  -1.370  -4.684
  333    H    CYS  47           H        CYS  47   2.557  -4.323  -6.076
  334    HA   CYS  47           HA       CYS  47   0.301  -3.990  -8.024
  335   1HB   CYS  47          2HB       CYS  47   1.788  -6.575  -7.553
  336   2HB   CYS  47          1HB       CYS  47   0.782  -6.123  -8.929
  337    H    ASN  48           H        ASN  48  -1.600  -4.146  -6.948
  338    HA   ASN  48           HA       ASN  48  -1.750  -5.957  -4.569
  339   1HB   ASN  48          2HB       ASN  48  -3.924  -4.566  -4.189
  340   2HB   ASN  48          1HB       ASN  48  -2.370  -3.808  -3.839
  341   1HD2  ASN  48          1HD2      ASN  48  -3.623  -4.388  -7.131
  342   2HD2  ASN  48          2HD2      ASN  48  -3.791  -2.748  -7.533
  343    H    THR  49           H        THR  49  -2.843  -7.823  -4.893
  344    HA   THR  49           HA       THR  49  -4.743  -7.982  -7.198
  345    HB   THR  49           HB       THR  49  -4.270 -10.287  -7.324
  346    HG1  THR  49           1HG      THR  49  -4.006 -11.404  -5.582
  347   1HG2  THR  49          1HG2      THR  49  -2.326  -8.848  -7.942
  348   2HG2  THR  49          2HG2      THR  49  -1.843 -10.448  -7.381
  349   3HG2  THR  49          3HG2      THR  49  -1.696  -9.056  -6.308
  350    H    ALA  50           H        ALA  50  -4.795  -7.463  -3.942
  351    HA   ALA  50           HA       ALA  50  -7.025  -9.250  -3.266
  352   1HB   ALA  50          1HB       ALA  50  -5.272  -8.492  -1.607
  353   2HB   ALA  50          2HB       ALA  50  -6.934  -8.229  -1.082
  354   3HB   ALA  50          3HB       ALA  50  -5.979  -6.879  -1.697
  355    H    ALA  51           H        ALA  51  -9.124  -8.340  -2.513
  356    HA   ALA  51           HA       ALA  51 -10.369  -6.697  -4.439
  357   1HB   ALA  51          1HB       ALA  51 -12.263  -6.644  -2.988
  358   2HB   ALA  51          2HB       ALA  51 -11.261  -6.860  -1.554
  359   3HB   ALA  51          3HB       ALA  51 -11.481  -8.195  -2.684
  360    H    ILE  52           H        ILE  52 -11.478  -4.527  -3.807
  361    HA   ILE  52           HA       ILE  52  -9.565  -2.805  -2.289
  362    HB   ILE  52           HB       ILE  52 -10.950  -1.986  -4.854
  363   1HG1  ILE  52          2HG1      ILE  52  -8.503  -2.140  -5.729
  364   2HG1  ILE  52          1HG1      ILE  52  -8.230  -3.203  -4.351
  365   1HG2  ILE  52          1HG2      ILE  52 -10.292  -0.188  -3.262
  366   2HG2  ILE  52          2HG2      ILE  52  -9.388  -0.112  -4.774
  367   3HG2  ILE  52          3HG2      ILE  52  -8.630  -0.774  -3.326
  368   1HD1  ILE  52          1HD1      ILE  52  -9.157  -4.923  -5.469
  369   2HD1  ILE  52          2HD1      ILE  52  -9.360  -3.878  -6.871
  370   3HD1  ILE  52          3HD1      ILE  52 -10.654  -4.017  -5.684
  371    HA   PRO  53           HA       PRO  53 -13.405  -1.738  -0.221
  372   1HB   PRO  53          2HB       PRO  53 -12.340   0.805   0.610
  373   2HB   PRO  53          1HB       PRO  53 -12.541  -0.662   1.571
  374   1HG   PRO  53          2HG       PRO  53 -10.099   0.485   0.574
  375   2HG   PRO  53          1HG       PRO  53 -10.301  -0.953   1.579
  376   1HD   PRO  53          2HD       PRO  53  -9.529  -0.849  -1.182
  377   2HD   PRO  53          1HD       PRO  53  -9.821  -2.300  -0.193
  378    H    THR  54           H        THR  54 -15.210  -0.844  -1.148
  379    HA   THR  54           HA       THR  54 -14.944   1.730  -2.629
  380    HB   THR  54           HB       THR  54 -15.797   0.921  -4.611
  381    HG1  THR  54           1HG      THR  54 -17.190  -0.924  -4.640
  382   1HG2  THR  54          1HG2      THR  54 -14.788  -1.172  -5.182
  383   2HG2  THR  54          2HG2      THR  54 -14.836  -1.724  -3.508
  384   3HG2  THR  54          3HG2      THR  54 -13.735  -0.429  -3.979
  385    H    GLY  55           H        GLY  55 -17.435   2.260  -3.349
  386   1HA   GLY  55          2HA       GLY  55 -19.608   2.758  -2.600
  387   2HA   GLY  55          1HA       GLY  55 -19.470   1.400  -1.483
  388    H    TYR  56           H        TYR  56 -16.816   2.868  -0.628
  389    HA   TYR  56           HA       TYR  56 -18.092   4.274   1.603
  390   1HB   TYR  56          2HB       TYR  56 -16.019   4.212   2.638
  391   2HB   TYR  56          1HB       TYR  56 -15.878   2.824   1.563
  392    HD1  TYR  56           1HD      TYR  56 -14.570   2.983  -0.538
  393    HD2  TYR  56           2HD      TYR  56 -14.744   6.229   2.270
  394    HE1  TYR  56           1HE      TYR  56 -12.610   4.035  -1.630
  395    HE2  TYR  56           2HE      TYR  56 -12.784   7.281   1.178
  396    HH   TYR  56           HH       TYR  56 -11.434   5.990  -1.811
  397    H    ASP  57           H        ASP  57 -18.325   6.465   1.790
  398    HA   ASP  57           HA       ASP  57 -18.275   8.208  -0.379
  399   1HB   ASP  57          2HB       ASP  57 -17.856   8.773   2.565
  400   2HB   ASP  57          1HB       ASP  57 -18.044  10.050   1.363
  401    H    THR  58           H        THR  58 -16.529   8.498  -1.696
  402    HA   THR  58           HA       THR  58 -13.800   8.507  -0.598
  403    HB   THR  58           HB       THR  58 -13.068   8.529  -2.864
  404    HG1  THR  58           1HG      THR  58 -14.082   9.677  -4.279
  405   1HG2  THR  58          1HG2      THR  58 -15.731   7.082  -2.836
  406   2HG2  THR  58          2HG2      THR  58 -14.228   6.443  -2.171
  407   3HG2  THR  58          3HG2      THR  58 -14.369   6.741  -3.904
  408    H    ASN  59           H        ASN  59 -14.166  10.457   0.767
  409    HA   ASN  59           HA       ASN  59 -14.573  13.011  -0.640
  410   1HB   ASN  59          2HB       ASN  59 -14.012  12.317   2.256
  411   2HB   ASN  59          1HB       ASN  59 -14.200  13.971   1.672
  412   1HD2  ASN  59          1HD2      ASN  59 -16.006  12.581   3.560
  413   2HD2  ASN  59          2HD2      ASN  59 -17.531  12.532   2.814
  414    H    LYS  60           H        LYS  60 -11.952  11.501   1.276
  415    HA   LYS  60           HA       LYS  60  -9.906  12.525  -0.485
  416   1HB   LYS  60          2HB       LYS  60 -10.715  14.575   0.896
  417   2HB   LYS  60          1HB       LYS  60  -9.887  13.805   2.249
  418   1HG   LYS  60          2HG       LYS  60  -8.151  15.092   1.409
  419   2HG   LYS  60          1HG       LYS  60  -7.903  13.612   0.481
  420   1HD   LYS  60          2HD       LYS  60  -9.207  14.555  -1.386
  421   2HD   LYS  60          1HD       LYS  60  -9.476  16.031  -0.459
  422   1HE   LYS  60          2HE       LYS  60  -7.571  16.164  -2.122
  423   2HE   LYS  60          1HE       LYS  60  -7.126  16.553  -0.460
  424   1HZ   LYS  60          1HZ       LYS  60  -6.755  13.919  -1.781
  425   2HZ   LYS  60          2HZ       LYS  60  -6.332  14.291  -0.178
  426   3HZ   LYS  60          3HZ       LYS  60  -5.530  15.051  -1.469
  427    H    CYS  61           H        CYS  61 -10.776  10.072   0.989
  428    HA   CYS  61           HA       CYS  61  -8.507   9.617   2.847
  429   1HB   CYS  61          2HB       CYS  61 -10.644   7.620   2.076
  430   2HB   CYS  61          1HB       CYS  61  -9.648   7.647   3.530
  431    H    GLN  62           H        GLN  62  -7.422   7.377   2.559
  432    HA   GLN  62           HA       GLN  62  -6.910   6.890  -0.352
  433   1HB   GLN  62          2HB       GLN  62  -5.098   7.555   1.844
  434   2HB   GLN  62          1HB       GLN  62  -4.633   6.054   1.045
  435   1HG   GLN  62          2HG       GLN  62  -3.586   8.036  -0.017
  436   2HG   GLN  62          1HG       GLN  62  -4.652   7.178  -1.128
  437   1HE2  GLN  62          1HE2      GLN  62  -5.946   9.192   1.481
  438   2HE2  GLN  62          2HE2      GLN  62  -6.556  10.414   0.473
  439    H    LYS  63           H        LYS  63  -5.802   4.642  -0.590
  440    HA   LYS  63           HA       LYS  63  -7.086   2.678   1.270
  441   1HB   LYS  63          2HB       LYS  63  -7.236   1.221  -0.881
  442   2HB   LYS  63          1HB       LYS  63  -8.432   2.495  -0.658
  443   1HG   LYS  63          2HG       LYS  63  -5.901   3.234  -2.067
  444   2HG   LYS  63          1HG       LYS  63  -7.051   2.232  -2.950
  445   1HD   LYS  63          2HD       LYS  63  -8.051   4.672  -1.505
  446   2HD   LYS  63          1HD       LYS  63  -7.243   4.863  -3.061
  447   1HE   LYS  63          2HE       LYS  63  -9.643   3.083  -2.530
  448   2HE   LYS  63          1HE       LYS  63  -9.680   4.638  -3.361
  449   1HZ   LYS  63          1HZ       LYS  63  -9.472   3.282  -5.143
  450   2HZ   LYS  63          2HZ       LYS  63  -8.669   2.058  -4.280
  451   3HZ   LYS  63          3HZ       LYS  63  -7.823   3.443  -4.782
  452    H    ILE  64           H        ILE  64  -5.620   1.257   2.093
  453    HA   ILE  64           HA       ILE  64  -3.044   0.880   0.611
  454    HB   ILE  64           HB       ILE  64  -2.953   2.376   2.699
  455   1HG1  ILE  64          2HG1      ILE  64  -1.258  -0.120   2.921
  456   2HG1  ILE  64          1HG1      ILE  64  -1.021   1.049   1.622
  457   1HG2  ILE  64          1HG2      ILE  64  -3.123   1.364   4.842
  458   2HG2  ILE  64          2HG2      ILE  64  -3.133  -0.262   4.162
  459   3HG2  ILE  64          3HG2      ILE  64  -4.534   0.789   3.955
  460   1HD1  ILE  64          1HD1      ILE  64  -0.711   2.842   3.301
  461   2HD1  ILE  64          2HD1      ILE  64   0.477   1.554   3.504
  462   3HD1  ILE  64          3HD1      ILE  64  -0.909   1.655   4.591
  463    H    LEU  65           H        LEU  65  -2.146  -1.216   0.731
  464    HA   LEU  65           HA       LEU  65  -4.051  -3.312   1.670
  465   1HB   LEU  65          2HB       LEU  65  -3.174  -3.178  -0.773
  466   2HB   LEU  65          1HB       LEU  65  -1.661  -3.789  -0.111
  467    HG   LEU  65           HG       LEU  65  -4.328  -5.146   0.361
  468   1HD1  LEU  65          1HD1      LEU  65  -3.363  -6.801  -1.378
  469   2HD1  LEU  65          2HD1      LEU  65  -2.318  -5.467  -1.866
  470   3HD1  LEU  65          3HD1      LEU  65  -4.070  -5.302  -1.980
  471   1HD2  LEU  65          1HD2      LEU  65  -2.588  -7.105   0.639
  472   2HD2  LEU  65          2HD2      LEU  65  -2.827  -5.966   1.962
  473   3HD2  LEU  65          3HD2      LEU  65  -1.434  -5.796   0.894
  474    H    ASN  66           H        ASN  66  -3.524  -4.273   3.565
  475    HA   ASN  66           HA       ASN  66  -0.856  -3.929   4.715
  476   1HB   ASN  66          2HB       ASN  66  -3.185  -4.059   5.932
  477   2HB   ASN  66          1HB       ASN  66  -2.928  -5.802   5.837
  478   1HD2  ASN  66          1HD2      ASN  66  -2.875  -4.063   8.285
  479   2HD2  ASN  66          2HD2      ASN  66  -1.337  -4.286   8.968
  480    H    LYS  67           H        LYS  67   0.672  -5.122   3.602
  481    HA   LYS  67           HA       LYS  67   0.162  -7.757   2.543
  482   1HB   LYS  67          2HB       LYS  67   2.626  -7.831   2.204
  483   2HB   LYS  67          1HB       LYS  67   1.906  -6.345   1.586
  484   1HG   LYS  67          2HG       LYS  67   2.474  -5.638   4.186
  485   2HG   LYS  67          1HG       LYS  67   3.810  -6.727   3.814
  486   1HD   LYS  67          2HD       LYS  67   4.149  -5.405   1.674
  487   2HD   LYS  67          1HD       LYS  67   2.996  -4.231   2.309
  488   1HE   LYS  67          2HE       LYS  67   5.624  -5.054   3.577
  489   2HE   LYS  67          1HE       LYS  67   5.237  -3.483   2.873
  490   1HZ   LYS  67          1HZ       LYS  67   4.403  -2.857   4.807
  491   2HZ   LYS  67          2HZ       LYS  67   4.781  -4.366   5.486
  492   3HZ   LYS  67          3HZ       LYS  67   3.268  -4.115   4.757
  493    H    LYS  68           H        LYS  68   0.877  -6.617   5.697
  494    HA   LYS  68           HA       LYS  68   2.394  -8.756   6.762
  495   1HB   LYS  68          2HB       LYS  68   0.225  -7.097   8.085
  496   2HB   LYS  68          1HB       LYS  68   1.358  -8.139   8.946
  497   1HG   LYS  68          2HG       LYS  68   3.203  -6.786   7.698
  498   2HG   LYS  68          1HG       LYS  68   1.926  -5.603   7.416
  499   1HD   LYS  68          2HD       LYS  68   2.635  -6.674  10.161
  500   2HD   LYS  68          1HD       LYS  68   3.304  -5.186   9.496
  501   1HE   LYS  68          2HE       LYS  68   1.470  -4.076  10.201
  502   2HE   LYS  68          1HE       LYS  68   0.474  -5.067   9.135
  503   1HZ   LYS  68          1HZ       LYS  68   1.105  -5.462  11.981
  504   2HZ   LYS  68          2HZ       LYS  68   0.706  -6.800  11.013
  505   3HZ   LYS  68          3HZ       LYS  68  -0.397  -5.521  11.197
  506    H    THR  69           H        THR  69  -1.150  -8.382   6.533
  507    HA   THR  69           HA       THR  69  -1.367 -11.360   6.738
  508    HB   THR  69           HB       THR  69  -3.590 -10.899   7.918
  509    HG1  THR  69           1HG      THR  69  -2.340  -8.403   8.388
  510   1HG2  THR  69          1HG2      THR  69  -2.464 -10.538  10.118
  511   2HG2  THR  69          2HG2      THR  69  -0.976 -10.147   9.253
  512   3HG2  THR  69          3HG2      THR  69  -1.668 -11.765   9.133
  513    H    CYS  70           H        CYS  70  -1.344  -9.462   4.419
  514    HA   CYS  70           HA       CYS  70  -2.598  -9.045   2.472
  515   1HB   CYS  70          2HB       CYS  70  -4.057 -11.589   3.211
  516   2HB   CYS  70          1HB       CYS  70  -3.720 -10.961   1.599
  517    H    THR  71           H        THR  71  -3.662  -7.212   3.651
  518    HA   THR  71           HA       THR  71  -6.600  -7.660   3.743
  519    HB   THR  71           HB       THR  71  -6.902  -6.916   5.917
  520    HG1  THR  71           1HG      THR  71  -4.735  -5.368   5.271
  521   1HG2  THR  71          1HG2      THR  71  -5.531  -9.010   5.933
  522   2HG2  THR  71          2HG2      THR  71  -5.292  -8.015   7.368
  523   3HG2  THR  71          3HG2      THR  71  -4.083  -8.016   6.085
  524    H    TYR  72           H        TYR  72  -7.692  -5.403   4.043
  525    HA   TYR  72           HA       TYR  72  -6.101  -3.314   2.608
  526   1HB   TYR  72          2HB       TYR  72  -8.422  -4.728   1.667
  527   2HB   TYR  72          1HB       TYR  72  -8.863  -3.041   1.921
  528    HD1  TYR  72           1HD      TYR  72  -7.439  -5.317  -0.367
  529    HD2  TYR  72           2HD      TYR  72  -7.054  -1.283   1.057
  530    HE1  TYR  72           1HE      TYR  72  -6.270  -4.690  -2.462
  531    HE2  TYR  72           2HE      TYR  72  -5.882  -0.657  -1.038
  532    HH   TYR  72           HH       TYR  72  -5.736  -2.787  -3.768
  533    H    THR  73           H        THR  73  -6.276  -1.290   3.494
  534    HA   THR  73           HA       THR  73  -8.480  -0.786   5.444
  535    HB   THR  73           HB       THR  73  -7.067  -0.259   7.188
  536    HG1  THR  73           1HG      THR  73  -4.723   0.076   5.805
  537   1HG2  THR  73          1HG2      THR  73  -5.196  -2.021   5.584
  538   2HG2  THR  73          2HG2      THR  73  -6.596  -2.622   6.472
  539   3HG2  THR  73          3HG2      THR  73  -5.261  -1.863   7.339
  540    H    VAL  74           H        VAL  74  -8.943   1.484   5.725
  541    HA   VAL  74           HA       VAL  74  -7.953   3.163   3.451
  542    HB   VAL  74           HB       VAL  74 -10.439   3.693   5.084
  543   1HG1  VAL  74          1HG1      VAL  74  -9.328   5.368   3.442
  544   2HG1  VAL  74          2HG1      VAL  74 -11.058   5.073   3.272
  545   3HG1  VAL  74          3HG1      VAL  74  -9.920   4.296   2.173
  546   1HG2  VAL  74          1HG2      VAL  74 -10.128   1.906   2.652
  547   2HG2  VAL  74          2HG2      VAL  74 -11.677   2.498   3.251
  548   3HG2  VAL  74          3HG2      VAL  74 -10.697   1.425   4.250
  549    H    VAL  75           H        VAL  75  -6.624   4.812   4.016
  550    HA   VAL  75           HA       VAL  75  -6.642   5.725   6.867
  551    HB   VAL  75           HB       VAL  75  -4.336   6.518   6.418
  552   1HG1  VAL  75          1HG1      VAL  75  -4.612   4.269   7.307
  553   2HG1  VAL  75          2HG1      VAL  75  -3.305   4.258   6.123
  554   3HG1  VAL  75          3HG1      VAL  75  -4.894   3.630   5.688
  555   1HG2  VAL  75          1HG2      VAL  75  -4.834   5.274   3.695
  556   2HG2  VAL  75          2HG2      VAL  75  -3.258   5.807   4.278
  557   3HG2  VAL  75          3HG2      VAL  75  -4.549   6.982   4.027
  558    H    GLU  76           H        GLU  76  -5.961   8.122   7.054
  559    HA   GLU  76           HA       GLU  76  -7.475   9.681   4.995
  560   1HB   GLU  76          2HB       GLU  76  -8.188   9.635   7.498
  561   2HB   GLU  76          1HB       GLU  76  -6.793  10.683   7.755
  562   1HG   GLU  76          2HG       GLU  76  -7.681  12.243   6.029
  563   2HG   GLU  76          1HG       GLU  76  -9.110  11.219   5.873
  564    H    LYS  77           H        LYS  77  -6.517  11.526   4.110
  565    HA   LYS  77           HA       LYS  77  -3.660  11.550   3.906
  566   1HB   LYS  77          2HB       LYS  77  -5.875  13.391   3.062
  567   2HB   LYS  77          1HB       LYS  77  -4.213  13.970   2.971
  568   1HG   LYS  77          2HG       LYS  77  -4.852  11.263   1.841
  569   2HG   LYS  77          1HG       LYS  77  -5.309  12.694   0.918
  570   1HD   LYS  77          2HD       LYS  77  -3.050  13.466   0.807
  571   2HD   LYS  77          1HD       LYS  77  -2.520  12.303   2.022
  572   1HE   LYS  77          2HE       LYS  77  -3.743  11.390  -0.579
  573   2HE   LYS  77          1HE       LYS  77  -2.022  11.750  -0.454
  574   1HZ   LYS  77          1HZ       LYS  77  -2.187   9.492   0.023
  575   2HZ   LYS  77          2HZ       LYS  77  -3.577   9.688   0.979
  576   3HZ   LYS  77          3HZ       LYS  77  -2.067  10.215   1.552
  577    H    LYS  78           H        LYS  78  -5.735  12.766   6.344
  578    HA   LYS  78           HA       LYS  78  -3.520  14.506   7.375
  579   1HB   LYS  78          2HB       LYS  78  -5.821  15.555   6.690
  580   2HB   LYS  78          1HB       LYS  78  -6.393  14.855   8.204
  581   1HG   LYS  78          2HG       LYS  78  -4.325  15.996   9.276
  582   2HG   LYS  78          1HG       LYS  78  -4.254  16.944   7.791
  583   1HD   LYS  78          2HD       LYS  78  -6.609  17.649   8.151
  584   2HD   LYS  78          1HD       LYS  78  -6.629  16.749   9.668
  585   1HE   LYS  78          2HE       LYS  78  -4.957  18.166  10.636
  586   2HE   LYS  78          1HE       LYS  78  -4.600  18.916   9.080
  587   1HZ   LYS  78          1HZ       LYS  78  -6.573  19.617  10.979
  588   2HZ   LYS  78          2HZ       LYS  78  -7.314  19.237   9.499
  589   3HZ   LYS  78          3HZ       LYS  78  -6.114  20.437   9.567
  590    H    ASP  79           H        ASP  79  -4.907  11.568   7.829
  591    HA   ASP  79           HA       ASP  79  -4.009  11.489  10.637
  592   1HB   ASP  79          2HB       ASP  79  -6.526  12.129  10.510
  593   2HB   ASP  79          1HB       ASP  79  -6.774  10.452  10.029
  594    HA   PRO  80           HA       PRO  80  -3.187   7.716   8.008
  595   1HB   PRO  80          2HB       PRO  80  -0.554   7.670   9.178
  596   2HB   PRO  80          1HB       PRO  80  -1.001   7.997   7.501
  597   1HG   PRO  80          2HG       PRO  80  -0.001   9.856   9.409
  598   2HG   PRO  80          1HG       PRO  80  -0.573  10.202   7.774
  599   1HD   PRO  80          2HD       PRO  80  -1.871  10.799  10.318
  600   2HD   PRO  80          1HD       PRO  80  -2.348  11.313   8.681
  601    H    GLY  81           H        GLY  81  -3.527   8.446  11.248
  602   1HA   GLY  81          2HA       GLY  81  -2.868   5.686  12.173
  603   2HA   GLY  81          1HA       GLY  81  -3.152   7.074  13.225
  604    H    LYS  82           H        LYS  82  -5.529   7.903  11.621
  605    HA   LYS  82           HA       LYS  82  -7.450   5.986  12.846
  606   1HB   LYS  82          2HB       LYS  82  -7.805   8.793  11.757
  607   2HB   LYS  82          1HB       LYS  82  -9.112   7.814  12.420
  608   1HG   LYS  82          2HG       LYS  82  -6.596   8.403  13.991
  609   2HG   LYS  82          1HG       LYS  82  -7.993   9.478  14.028
  610   1HD   LYS  82          2HD       LYS  82  -9.354   7.336  14.606
  611   2HD   LYS  82          1HD       LYS  82  -7.786   6.633  15.003
  612   1HE   LYS  82          2HE       LYS  82  -9.106   9.044  16.257
  613   2HE   LYS  82          1HE       LYS  82  -8.608   7.547  17.044
  614   1HZ   LYS  82          1HZ       LYS  82  -6.640   9.264  15.671
  615   2HZ   LYS  82          2HZ       LYS  82  -6.382   8.109  16.891
  616   3HZ   LYS  82          3HZ       LYS  82  -7.113   9.596  17.266
  617    H    THR  83           H        THR  83  -9.118   5.036  11.587
  618    HA   THR  83           HA       THR  83  -8.457   4.792   8.719
  619    HB   THR  83           HB       THR  83 -10.228   3.028   8.743
  620    HG1  THR  83           1HG      THR  83 -10.367   3.023  11.479
  621   1HG2  THR  83          1HG2      THR  83  -8.197   2.809  10.983
  622   2HG2  THR  83          2HG2      THR  83  -7.881   2.472   9.281
  623   3HG2  THR  83          3HG2      THR  83  -9.004   1.458  10.187
  624    H    CYS  84           H        CYS  84 -10.092   5.149   7.060
  625    HA   CYS  84           HA       CYS  84 -11.840   7.438   7.723
  626   1HB   CYS  84          2HB       CYS  84 -10.396   6.544   5.407
  627   2HB   CYS  84          1HB       CYS  84 -12.100   6.676   4.980
  628    H    ASP  85           H        ASP  85 -13.868   7.062   5.821
  629    HA   ASP  85           HA       ASP  85 -15.568   5.166   7.254
  630   1HB   ASP  85          2HB       ASP  85 -16.065   6.927   4.836
  631   2HB   ASP  85          1HB       ASP  85 -17.303   5.933   5.604
  632    H    VAL  86           H        VAL  86 -16.473   3.259   6.391
  633    HA   VAL  86           HA       VAL  86 -15.338   2.314   3.789
  634    HB   VAL  86           HB       VAL  86 -15.700   0.599   6.260
  635   1HG1  VAL  86          1HG1      VAL  86 -15.814  -0.827   4.398
  636   2HG1  VAL  86          2HG1      VAL  86 -14.097  -0.860   4.798
  637   3HG1  VAL  86          3HG1      VAL  86 -14.672   0.139   3.464
  638   1HG2  VAL  86          1HG2      VAL  86 -13.901   2.174   6.679
  639   2HG2  VAL  86          2HG2      VAL  86 -13.215   1.879   5.081
  640   3HG2  VAL  86          3HG2      VAL  86 -13.184   0.606   6.302
  641    H    THR  87           H        THR  87 -16.655   0.399   2.945
  642    HA   THR  87           HA       THR  87 -19.462   0.398   3.911
  643    HB   THR  87           HB       THR  87 -18.658   0.983   1.045
  644    HG1  THR  87           1HG      THR  87 -19.920   2.914   1.577
  645   1HG2  THR  87          1HG2      THR  87 -20.622  -0.416   1.056
  646   2HG2  THR  87          2HG2      THR  87 -21.149   1.239   0.753
  647   3HG2  THR  87          3HG2      THR  87 -21.349   0.529   2.355
  648    H    GLY  88           H        GLY  88 -17.004  -0.986   1.770
  649   1HA   GLY  88          2HA       GLY  88 -17.533  -3.667   2.507
  650   2HA   GLY  88          1HA       GLY  88 -18.466  -3.339   1.045
  651    H    TRP  89           H        TRP  89 -16.954  -5.035   0.146
  652    HA   TRP  89           HA       TRP  89 -14.488  -3.705  -0.898
  653   1HB   TRP  89          2HB       TRP  89 -14.513  -6.656  -0.299
  654   2HB   TRP  89          1HB       TRP  89 -13.136  -5.565  -0.455
  655    HD1  TRP  89           HD       TRP  89 -13.504  -3.379   1.520
  656    HE1  TRP  89           1HE      TRP  89 -13.765  -3.771   4.056
  657    HE3  TRP  89           3HE      TRP  89 -15.042  -8.248   1.507
  658    HZ2  TRP  89           2HZ      TRP  89 -14.523  -5.874   5.842
  659    HZ3  TRP  89           3HZ      TRP  89 -15.524  -9.421   3.635
  660    HH2  TRP  89           HH       TRP  89 -15.267  -8.241   5.802
  661    H    VAL  90           H        VAL  90 -13.973  -4.277  -3.052
  662    HA   VAL  90           HA       VAL  90 -15.731  -6.229  -4.429
  663    HB   VAL  90           HB       VAL  90 -15.379  -3.419  -5.493
  664   1HG1  VAL  90          1HG1      VAL  90 -17.088  -4.066  -7.063
  665   2HG1  VAL  90          2HG1      VAL  90 -17.394  -5.571  -6.193
  666   3HG1  VAL  90          3HG1      VAL  90 -15.875  -5.346  -7.061
  667   1HG2  VAL  90          1HG2      VAL  90 -17.663  -4.627  -3.904
  668   2HG2  VAL  90          2HG2      VAL  90 -17.782  -3.118  -4.808
  669   3HG2  VAL  90          3HG2      VAL  90 -16.672  -3.243  -3.444
  670    H    LEU  91           H        LEU  91 -14.635  -7.288  -6.052
  671    HA   LEU  91           HA       LEU  91 -11.777  -6.810  -6.307
  672   1HB   LEU  91          2HB       LEU  91 -13.626  -8.644  -7.864
  673   2HB   LEU  91          1HB       LEU  91 -11.865  -8.680  -7.940
  674    HG   LEU  91           HG       LEU  91 -13.197  -8.881  -5.255
  675   1HD1  LEU  91          1HD1      LEU  91 -13.263 -11.364  -5.544
  676   2HD1  LEU  91          2HD1      LEU  91 -12.908 -11.142  -7.257
  677   3HD1  LEU  91          3HD1      LEU  91 -14.415 -10.523  -6.580
  678   1HD2  LEU  91          1HD2      LEU  91 -10.675  -8.704  -5.659
  679   2HD2  LEU  91          2HD2      LEU  91 -10.774 -10.309  -6.379
  680   3HD2  LEU  91          3HD2      LEU  91 -11.200 -10.077  -4.685
  Start of MODEL    9
    1   1H    GLN   1          1HT       GLN   1  -2.967  -6.377 -11.181
    2   2H    GLN   1          2HT       GLN   1  -3.464  -6.849 -12.736
    3   3H    GLN   1          3HT       GLN   1  -4.594  -6.221 -11.633
    4    HA   GLN   1           HA       GLN   1  -2.832  -4.849 -13.424
    5   1HB   GLN   1          2HB       GLN   1  -5.447  -4.744 -12.889
    6   2HB   GLN   1          1HB       GLN   1  -4.920  -3.529 -11.726
    7   1HG   GLN   1          2HG       GLN   1  -3.799  -2.273 -13.512
    8   2HG   GLN   1          1HG       GLN   1  -4.252  -3.508 -14.687
    9   1HE2  GLN   1          1HE2      GLN   1  -6.218  -3.176 -15.748
   10   2HE2  GLN   1          2HE2      GLN   1  -7.438  -2.121 -15.219
   11    H    CYS   2           H        CYS   2  -0.825  -4.362 -12.566
   12    HA   CYS   2           HA       CYS   2  -0.588  -3.400  -9.791
   13   1HB   CYS   2          2HB       CYS   2   1.111  -4.911 -10.945
   14   2HB   CYS   2          1HB       CYS   2   1.581  -3.503 -11.898
   15    H    TYR   3           H        TYR   3   0.893  -1.373  -9.538
   16    HA   TYR   3           HA       TYR   3   0.274   0.689 -11.597
   17   1HB   TYR   3          2HB       TYR   3  -1.503   0.927  -9.955
   18   2HB   TYR   3          1HB       TYR   3  -0.337   0.897  -8.633
   19    HD1  TYR   3           1HD      TYR   3  -0.747   2.735 -11.891
   20    HD2  TYR   3           2HD      TYR   3   0.128   2.974  -7.691
   21    HE1  TYR   3           1HE      TYR   3  -0.465   5.190 -12.088
   22    HE2  TYR   3           2HE      TYR   3   0.406   5.430  -7.890
   23    HH   TYR   3           HH       TYR   3   0.102   7.212  -9.230
   24    H    PHE   4           H        PHE   4   1.682   2.601 -11.381
   25    HA   PHE   4           HA       PHE   4   4.264   1.909 -10.033
   26   1HB   PHE   4          2HB       PHE   4   3.564   3.235 -12.607
   27   2HB   PHE   4          1HB       PHE   4   4.959   3.885 -11.747
   28    HD1  PHE   4           1HD      PHE   4   3.491   0.764 -13.153
   29    HD2  PHE   4           2HD      PHE   4   7.026   2.706 -11.674
   30    HE1  PHE   4           1HE      PHE   4   4.870  -1.138 -13.948
   31    HE2  PHE   4           2HE      PHE   4   8.403   0.804 -12.468
   32    HZ   PHE   4           HZ       PHE   4   7.326  -1.118 -13.606
   33    H    ILE   5           H        ILE   5   5.363   3.575  -8.887
   34    HA   ILE   5           HA       ILE   5   3.804   6.053  -8.324
   35    HB   ILE   5           HB       ILE   5   4.915   4.096  -6.306
   36   1HG1  ILE   5          2HG1      ILE   5   2.187   5.396  -6.416
   37   2HG1  ILE   5          1HG1      ILE   5   2.539   3.908  -7.295
   38   1HG2  ILE   5          1HG2      ILE   5   4.113   6.996  -5.991
   39   2HG2  ILE   5          2HG2      ILE   5   5.619   6.226  -5.489
   40   3HG2  ILE   5          3HG2      ILE   5   4.118   5.868  -4.634
   41   1HD1  ILE   5          1HD1      ILE   5   2.987   4.264  -4.320
   42   2HD1  ILE   5          2HD1      ILE   5   3.138   2.767  -5.241
   43   3HD1  ILE   5          3HD1      ILE   5   1.554   3.513  -5.021
   44    HA   PRO   6           HA       PRO   6   8.175   7.079  -9.321
   45   1HB   PRO   6          2HB       PRO   6   7.323   9.813  -9.643
   46   2HB   PRO   6          1HB       PRO   6   7.824   8.668 -10.890
   47   1HG   PRO   6          2HG       PRO   6   5.191   9.646 -10.391
   48   2HG   PRO   6          1HG       PRO   6   5.683   8.435 -11.579
   49   1HD   PRO   6          2HD       PRO   6   4.220   8.040  -9.101
   50   2HD   PRO   6          1HD       PRO   6   4.612   6.835 -10.354
   51    H    ASN   7           H        ASN   7   9.744   7.894  -7.942
   52    HA   ASN   7           HA       ASN   7   9.316   8.307  -5.239
   53   1HB   ASN   7          2HB       ASN   7  11.550   8.120  -6.450
   54   2HB   ASN   7          1HB       ASN   7  11.410   9.845  -6.791
   55   1HD2  ASN   7          1HD2      ASN   7  11.166   7.606  -3.962
   56   2HD2  ASN   7          2HD2      ASN   7  11.907   8.676  -2.872
   57    H    GLN   8           H        GLN   8   8.368   9.881  -4.047
   58    HA   GLN   8           HA       GLN   8   8.032  12.592  -5.277
   59   1HB   GLN   8          2HB       GLN   8   5.836  12.665  -3.989
   60   2HB   GLN   8          1HB       GLN   8   5.863  11.569  -5.370
   61   1HG   GLN   8          2HG       GLN   8   6.572  10.603  -2.599
   62   2HG   GLN   8          1HG       GLN   8   4.895  10.667  -3.141
   63   1HE2  GLN   8          1HE2      GLN   8   7.553   8.621  -3.012
   64   2HE2  GLN   8          2HE2      GLN   8   7.138   7.566  -4.276
   65    H    SER   9           H        SER   9   9.380  10.820  -2.814
   66    HA   SER   9           HA       SER   9   8.892  12.271  -0.454
   67   1HB   SER   9          2HB       SER   9  10.737  11.175   0.410
   68   2HB   SER   9          1HB       SER   9  10.467  10.186  -1.022
   69    HG   SER   9           HG       SER   9  11.993  11.506  -2.107
   70    H    LEU  10           H        LEU  10  11.020  13.580   0.499
   71    HA   LEU  10           HA       LEU  10  11.027  16.052  -1.057
   72   1HB   LEU  10          2HB       LEU  10  12.189  15.202   1.589
   73   2HB   LEU  10          1HB       LEU  10  12.653  16.740   0.859
   74    HG   LEU  10           HG       LEU  10  10.259  17.378   0.723
   75   1HD1  LEU  10          1HD1      LEU  10   9.129  15.296   0.567
   76   2HD1  LEU  10          2HD1      LEU  10   8.696  15.919   2.159
   77   3HD1  LEU  10          3HD1      LEU  10   9.926  14.664   2.008
   78   1HD2  LEU  10          1HD2      LEU  10  11.407  16.579   3.406
   79   2HD2  LEU  10          2HD2      LEU  10   9.890  17.468   3.268
   80   3HD2  LEU  10          3HD2      LEU  10  11.387  18.179   2.663
   81    H    LYS  11           H        LYS  11  13.550  13.798   0.070
   82    HA   LYS  11           HA       LYS  11  15.260  14.755  -2.194
   83   1HB   LYS  11          2HB       LYS  11  15.980  13.936   0.623
   84   2HB   LYS  11          1HB       LYS  11  17.180  13.959  -0.668
   85   1HG   LYS  11          2HG       LYS  11  16.926  16.300  -1.009
   86   2HG   LYS  11          1HG       LYS  11  15.433  16.352  -0.071
   87   1HD   LYS  11          2HD       LYS  11  16.777  15.654   1.950
   88   2HD   LYS  11          1HD       LYS  11  18.234  15.863   0.977
   89   1HE   LYS  11          2HE       LYS  11  17.905  17.919   2.177
   90   2HE   LYS  11          1HE       LYS  11  17.445  18.229   0.503
   91   1HZ   LYS  11          1HZ       LYS  11  15.893  18.906   2.485
   92   2HZ   LYS  11          2HZ       LYS  11  15.381  17.291   2.355
   93   3HZ   LYS  11          3HZ       LYS  11  15.247  18.338   1.024
   94    HA   PRO  12           HA       PRO  12  15.172  10.606  -3.750
   95   1HB   PRO  12          2HB       PRO  12  17.997  10.512  -4.306
   96   2HB   PRO  12          1HB       PRO  12  16.670  10.790  -5.437
   97   1HG   PRO  12          2HG       PRO  12  18.578  12.700  -4.402
   98   2HG   PRO  12          1HG       PRO  12  17.334  12.943  -5.633
   99   1HD   PRO  12          2HD       PRO  12  17.338  13.993  -2.985
  100   2HD   PRO  12          1HD       PRO  12  15.994  14.046  -4.152
  101    H    ASN  13           H        ASN  13  16.983   8.576  -3.603
  102    HA   ASN  13           HA       ASN  13  17.792   6.930  -2.141
  103   1HB   ASN  13          2HB       ASN  13  18.584   9.183  -0.292
  104   2HB   ASN  13          1HB       ASN  13  19.402   7.642  -0.560
  105   1HD2  ASN  13          1HD2      ASN  13  19.274  10.938  -1.564
  106   2HD2  ASN  13          2HD2      ASN  13  20.319  10.804  -2.896
  107    H    GLU  14           H        GLU  14  15.052   7.519  -1.888
  108    HA   GLU  14           HA       GLU  14  14.644   6.804   0.958
  109   1HB   GLU  14          2HB       GLU  14  13.432   9.192  -0.434
  110   2HB   GLU  14          1HB       GLU  14  12.637   8.430   0.946
  111   1HG   GLU  14          2HG       GLU  14  14.667   8.747   2.298
  112   2HG   GLU  14          1HG       GLU  14  15.468   9.506   0.924
  113    H    CYS  15           H        CYS  15  12.178   6.304   1.240
  114    HA   CYS  15           HA       CYS  15  10.925   5.251  -1.220
  115   1HB   CYS  15          2HB       CYS  15  12.152   3.558   0.917
  116   2HB   CYS  15          1HB       CYS  15  10.621   3.020   0.227
  117    H    GLN  16           H        GLN  16   9.473   7.026  -0.446
  118    HA   GLN  16           HA       GLN  16   7.853   6.302   1.948
  119   1HB   GLN  16          2HB       GLN  16   8.608   8.603   1.914
  120   2HB   GLN  16          1HB       GLN  16   8.002   8.824   0.273
  121   1HG   GLN  16          2HG       GLN  16   5.725   8.641   0.988
  122   2HG   GLN  16          1HG       GLN  16   6.206   8.059   2.584
  123   1HE2  GLN  16          1HE2      GLN  16   5.807   9.703   4.072
  124   2HE2  GLN  16          2HE2      GLN  16   6.169  11.343   3.831
  125    H    ASP  17           H        ASP  17   5.678   5.782   1.759
  126    HA   ASP  17           HA       ASP  17   4.499   5.791  -0.990
  127   1HB   ASP  17          2HB       ASP  17   5.338   3.488   0.165
  128   2HB   ASP  17          1HB       ASP  17   3.717   3.582   0.853
  129    H    LEU  18           H        LEU  18   2.448   6.630  -1.030
  130    HA   LEU  18           HA       LEU  18   0.586   7.805  -0.190
  131   1HB   LEU  18          2HB       LEU  18   0.720   5.433   1.700
  132   2HB   LEU  18          1HB       LEU  18  -0.644   6.545   1.612
  133    HG   LEU  18           HG       LEU  18  -0.674   6.002  -0.922
  134   1HD1  LEU  18          1HD1      LEU  18   1.132   3.843   0.175
  135   2HD1  LEU  18          2HD1      LEU  18   1.357   4.838  -1.263
  136   3HD1  LEU  18          3HD1      LEU  18   0.138   3.565  -1.254
  137   1HD2  LEU  18          1HD2      LEU  18  -1.915   3.813  -0.417
  138   2HD2  LEU  18          2HD2      LEU  18  -2.474   5.246   0.446
  139   3HD2  LEU  18          3HD2      LEU  18  -1.454   4.064   1.267
  140    H    LYS  19           H        LYS  19   0.008   7.486   2.846
  141    HA   LYS  19           HA       LYS  19   2.014   9.523   3.744
  142   1HB   LYS  19          2HB       LYS  19  -0.920   9.424   3.877
  143   2HB   LYS  19          1HB       LYS  19  -0.184   9.746   5.444
  144   1HG   LYS  19          2HG       LYS  19   0.698  11.256   2.985
  145   2HG   LYS  19          1HG       LYS  19  -0.713  11.771   3.907
  146   1HD   LYS  19          2HD       LYS  19   0.570  12.144   5.874
  147   2HD   LYS  19          1HD       LYS  19   1.955  11.260   5.233
  148   1HE   LYS  19          2HE       LYS  19   2.249  12.991   3.492
  149   2HE   LYS  19          1HE       LYS  19   0.879  13.882   4.153
  150   1HZ   LYS  19          1HZ       LYS  19   2.399  13.490   6.331
  151   2HZ   LYS  19          2HZ       LYS  19   2.434  14.894   5.374
  152   3HZ   LYS  19          3HZ       LYS  19   3.586  13.669   5.133
  153    H    GLY  20           H        GLY  20   0.930   6.365   4.167
  154   1HA   GLY  20          2HA       GLY  20   1.437   6.219   7.057
  155   2HA   GLY  20          1HA       GLY  20   1.033   4.864   6.005
  156    H    VAL  21           H        VAL  21   3.004   4.927   4.102
  157    HA   VAL  21           HA       VAL  21   5.284   3.912   5.590
  158    HB   VAL  21           HB       VAL  21   4.927   4.433   2.627
  159   1HG1  VAL  21          1HG1      VAL  21   7.287   4.315   3.147
  160   2HG1  VAL  21          2HG1      VAL  21   6.814   2.773   2.437
  161   3HG1  VAL  21          3HG1      VAL  21   7.035   2.909   4.181
  162   1HG2  VAL  21          1HG2      VAL  21   4.488   2.015   2.514
  163   2HG2  VAL  21          2HG2      VAL  21   3.332   2.796   3.593
  164   3HG2  VAL  21          3HG2      VAL  21   4.688   1.887   4.262
  165    H    SER  22           H        SER  22   7.493   4.742   5.365
  166    HA   SER  22           HA       SER  22   8.252   7.171   4.167
  167   1HB   SER  22          2HB       SER  22   8.273   8.532   6.436
  168   2HB   SER  22          1HB       SER  22   6.828   8.518   5.430
  169    HG   SER  22           HG       SER  22   5.849   7.227   6.830
  170    H    HIS  23           H        HIS  23  10.097   5.704   4.013
  171    HA   HIS  23           HA       HIS  23  11.914   5.990   6.324
  172   1HB   HIS  23          2HB       HIS  23  10.667   3.443   5.472
  173   2HB   HIS  23          1HB       HIS  23  12.414   3.365   5.683
  174    HD1  HIS  23           1HD      HIS  23  13.291   3.307   8.050
  175    HD2  HIS  23           2HD      HIS  23   9.257   4.348   7.892
  176    HE1  HIS  23           1HE      HIS  23  12.469   3.351  10.445
  177    HA   PRO  24           HA       PRO  24  14.988   6.613   3.219
  178   1HB   PRO  24          2HB       PRO  24  16.898   4.734   4.281
  179   2HB   PRO  24          1HB       PRO  24  16.882   6.492   4.449
  180   1HG   PRO  24          2HG       PRO  24  16.224   4.486   6.430
  181   2HG   PRO  24          1HG       PRO  24  16.359   6.235   6.637
  182   1HD   PRO  24          2HD       PRO  24  13.966   4.705   6.690
  183   2HD   PRO  24          1HD       PRO  24  14.088   6.481   6.640
  184    H    LEU  25           H        LEU  25  16.256   5.432   1.489
  185    HA   LEU  25           HA       LEU  25  14.715   3.453   0.187
  186   1HB   LEU  25          2HB       LEU  25  16.675   4.972  -0.685
  187   2HB   LEU  25          1HB       LEU  25  17.694   3.610  -0.220
  188    HG   LEU  25           HG       LEU  25  15.299   3.435  -2.074
  189   1HD1  LEU  25          1HD1      LEU  25  17.023   3.043  -3.826
  190   2HD1  LEU  25          2HD1      LEU  25  18.280   3.386  -2.637
  191   3HD1  LEU  25          3HD1      LEU  25  17.150   4.653  -3.117
  192   1HD2  LEU  25          1HD2      LEU  25  17.281   1.439  -0.984
  193   2HD2  LEU  25          2HD2      LEU  25  16.508   1.166  -2.545
  194   3HD2  LEU  25          3HD2      LEU  25  15.525   1.309  -1.089
  195    H    ASN  26           H        ASN  26  14.235   1.746   1.655
  196    HA   ASN  26           HA       ASN  26  16.371   0.304   2.995
  197   1HB   ASN  26          2HB       ASN  26  13.843  -1.154   2.784
  198   2HB   ASN  26          1HB       ASN  26  14.682  -0.577   4.223
  199   1HD2  ASN  26          1HD2      ASN  26  13.244   0.723   5.368
  200   2HD2  ASN  26          2HD2      ASN  26  12.239   1.904   4.678
  201    H    SER  27           H        SER  27  13.888  -1.022   0.798
  202    HA   SER  27           HA       SER  27  15.643  -1.976  -1.218
  203   1HB   SER  27          2HB       SER  27  15.351  -3.724   1.202
  204   2HB   SER  27          1HB       SER  27  15.445  -4.489  -0.380
  205    HG   SER  27           HG       SER  27  17.449  -3.774   1.006
  206    H    VAL  28           H        VAL  28  14.389  -4.487  -1.731
  207    HA   VAL  28           HA       VAL  28  11.589  -3.567  -2.255
  208    HB   VAL  28           HB       VAL  28  12.255  -4.034  -4.382
  209   1HG1  VAL  28          1HG1      VAL  28  14.169  -5.621  -4.875
  210   2HG1  VAL  28          2HG1      VAL  28  14.371  -5.801  -3.133
  211   3HG1  VAL  28          3HG1      VAL  28  14.597  -4.223  -3.889
  212   1HG2  VAL  28          1HG2      VAL  28  12.138  -6.936  -3.520
  213   2HG2  VAL  28          2HG2      VAL  28  11.752  -6.267  -5.105
  214   3HG2  VAL  28          3HG2      VAL  28  10.699  -5.937  -3.731
  215    H    TRP  29           H        TRP  29   9.884  -5.079  -1.906
  216    HA   TRP  29           HA       TRP  29  10.545  -7.627  -0.560
  217   1HB   TRP  29          2HB       TRP  29   9.128  -7.091   1.398
  218   2HB   TRP  29          1HB       TRP  29  10.511  -6.003   1.286
  219    HD1  TRP  29           HD       TRP  29   6.727  -6.110   0.841
  220    HE1  TRP  29           1HE      TRP  29   5.832  -3.695   0.727
  221    HE3  TRP  29           3HE      TRP  29  11.139  -3.542   0.669
  222    HZ2  TRP  29           2HZ      TRP  29   6.854  -1.023   0.581
  223    HZ3  TRP  29           3HZ      TRP  29  11.148  -1.067   0.545
  224    HH2  TRP  29           HH       TRP  29   9.014   0.193   0.501
  225    H    LYS  30           H        LYS  30   9.100  -9.156  -1.158
  226    HA   LYS  30           HA       LYS  30   6.521  -8.250  -2.383
  227   1HB   LYS  30          2HB       LYS  30   8.184 -10.738  -2.879
  228   2HB   LYS  30          1HB       LYS  30   6.588 -10.457  -3.576
  229   1HG   LYS  30          2HG       LYS  30   7.388  -8.459  -4.718
  230   2HG   LYS  30          1HG       LYS  30   8.964  -8.610  -3.942
  231   1HD   LYS  30          2HD       LYS  30   9.391 -10.706  -5.091
  232   2HD   LYS  30          1HD       LYS  30   7.761 -10.711  -5.764
  233   1HE   LYS  30          2HE       LYS  30   8.216  -8.854  -7.170
  234   2HE   LYS  30          1HE       LYS  30   9.682  -8.438  -6.283
  235   1HZ   LYS  30          1HZ       LYS  30   9.354 -10.233  -8.452
  236   2HZ   LYS  30          2HZ       LYS  30  10.017 -11.044  -7.114
  237   3HZ   LYS  30          3HZ       LYS  30  10.785  -9.665  -7.742
  238    H    THR  31           H        THR  31   4.636  -9.595  -1.904
  239    HA   THR  31           HA       THR  31   4.934 -11.205   0.604
  240    HB   THR  31           HB       THR  31   2.923 -10.266   1.458
  241    HG1  THR  31           1HG      THR  31   2.125 -10.221  -0.910
  242   1HG2  THR  31          1HG2      THR  31   3.497  -7.993   1.712
  243   2HG2  THR  31          2HG2      THR  31   4.171  -7.891   0.087
  244   3HG2  THR  31          3HG2      THR  31   5.033  -8.774   1.347
  245    H    LYS  32           H        LYS  32   5.009 -13.125  -0.734
  246    HA   LYS  32           HA       LYS  32   4.077 -14.867  -2.023
  247   1HB   LYS  32          2HB       LYS  32   1.684 -13.979  -0.383
  248   2HB   LYS  32          1HB       LYS  32   1.801 -15.513  -1.247
  249   1HG   LYS  32          2HG       LYS  32   3.890 -16.007   0.080
  250   2HG   LYS  32          1HG       LYS  32   3.544 -14.569   1.044
  251   1HD   LYS  32          2HD       LYS  32   1.326 -15.518   1.632
  252   2HD   LYS  32          1HD       LYS  32   1.725 -16.974   0.719
  253   1HE   LYS  32          2HE       LYS  32   2.234 -17.453   3.013
  254   2HE   LYS  32          1HE       LYS  32   3.778 -17.203   2.200
  255   1HZ   LYS  32          1HZ       LYS  32   2.469 -15.595   4.222
  256   2HZ   LYS  32          2HZ       LYS  32   3.178 -14.716   2.953
  257   3HZ   LYS  32          3HZ       LYS  32   4.121 -15.780   3.882
  258    H    ASP  33           H        ASP  33   0.888 -13.576  -1.962
  259    HA   ASP  33           HA       ASP  33   1.206 -12.401  -4.684
  260   1HB   ASP  33          2HB       ASP  33  -0.679 -14.624  -3.874
  261   2HB   ASP  33          1HB       ASP  33  -0.955 -13.624  -5.301
  262    H    CYS  34           H        CYS  34   0.107 -12.032  -1.580
  263    HA   CYS  34           HA       CYS  34  -2.440 -10.750  -2.080
  264   1HB   CYS  34          2HB       CYS  34  -0.533 -10.736   0.266
  265   2HB   CYS  34          1HB       CYS  34  -2.014  -9.778   0.261
  266    H    GLU  35           H        GLU  35   0.866  -9.549  -1.547
  267    HA   GLU  35           HA       GLU  35   0.149  -7.109  -3.067
  268   1HB   GLU  35          2HB       GLU  35  -0.269  -6.526  -0.707
  269   2HB   GLU  35          1HB       GLU  35   1.366  -7.038  -0.288
  270   1HG   GLU  35          2HG       GLU  35   2.346  -5.295  -1.604
  271   2HG   GLU  35          1HG       GLU  35   0.799  -4.905  -2.356
  272    H    GLU  36           H        GLU  36   2.080  -5.937  -3.788
  273    HA   GLU  36           HA       GLU  36   4.684  -7.290  -3.406
  274   1HB   GLU  36          2HB       GLU  36   3.247  -7.067  -6.057
  275   2HB   GLU  36          1HB       GLU  36   4.998  -7.243  -5.957
  276   1HG   GLU  36          2HG       GLU  36   4.690  -9.317  -4.621
  277   2HG   GLU  36          1HG       GLU  36   2.943  -9.157  -4.812
  278    H    CYS  37           H        CYS  37   5.604  -5.423  -2.546
  279    HA   CYS  37           HA       CYS  37   5.491  -2.970  -4.254
  280   1HB   CYS  37          2HB       CYS  37   5.569  -3.360  -1.280
  281   2HB   CYS  37          1HB       CYS  37   6.236  -1.885  -1.980
  282    H    THR  38           H        THR  38   7.376  -2.225  -5.058
  283    HA   THR  38           HA       THR  38   9.927  -3.306  -3.920
  284    HB   THR  38           HB       THR  38  10.819  -3.524  -6.142
  285    HG1  THR  38           1HG      THR  38   8.360  -2.532  -7.124
  286   1HG2  THR  38          1HG2      THR  38   8.011  -4.555  -6.465
  287   2HG2  THR  38          2HG2      THR  38   9.082  -5.241  -5.243
  288   3HG2  THR  38          3HG2      THR  38   9.529  -5.313  -6.948
  289    H    CYS  39           H        CYS  39  11.776  -1.862  -4.225
  290    HA   CYS  39           HA       CYS  39  10.936   1.005  -4.417
  291   1HB   CYS  39          2HB       CYS  39  12.867  -0.471  -2.702
  292   2HB   CYS  39          1HB       CYS  39  13.382   1.125  -3.250
  293    H    GLY  40           H        GLY  40  11.216   1.289  -6.657
  294   1HA   GLY  40          2HA       GLY  40  13.610   0.377  -8.031
  295   2HA   GLY  40          1HA       GLY  40  12.390   1.465  -8.694
  296    H    GLN  41           H        GLN  41  15.547   1.428  -8.142
  297    HA   GLN  41           HA       GLN  41  16.200   3.645  -6.541
  298   1HB   GLN  41          2HB       GLN  41  17.488   2.679  -9.110
  299   2HB   GLN  41          1HB       GLN  41  18.208   3.881  -8.038
  300   1HG   GLN  41          2HG       GLN  41  17.955   2.158  -6.165
  301   2HG   GLN  41          1HG       GLN  41  17.603   0.981  -7.431
  302   1HE2  GLN  41          1HE2      GLN  41  19.347   0.456  -8.960
  303   2HE2  GLN  41          2HE2      GLN  41  20.962   0.832  -8.601
  304    H    ASP  42           H        ASP  42  14.215   3.625  -9.233
  305    HA   ASP  42           HA       ASP  42  14.643   6.560  -9.658
  306   1HB   ASP  42          2HB       ASP  42  13.689   6.093 -11.988
  307   2HB   ASP  42          1HB       ASP  42  15.327   5.511 -11.690
  308    H    ALA  43           H        ALA  43  12.443   3.948  -9.031
  309    HA   ALA  43           HA       ALA  43  10.331   5.859  -8.364
  310   1HB   ALA  43          1HB       ALA  43   9.907   5.678 -10.749
  311   2HB   ALA  43          2HB       ALA  43   8.655   4.781  -9.890
  312   3HB   ALA  43          3HB       ALA  43   9.983   3.919 -10.666
  313    H    ILE  44           H        ILE  44   8.257   4.460  -7.770
  314    HA   ILE  44           HA       ILE  44   9.193   1.964  -6.397
  315    HB   ILE  44           HB       ILE  44   7.053   3.841  -5.362
  316   1HG1  ILE  44          2HG1      ILE  44  10.022   3.733  -4.758
  317   2HG1  ILE  44          1HG1      ILE  44   9.103   5.113  -5.357
  318   1HG2  ILE  44          1HG2      ILE  44   7.201   2.561  -3.362
  319   2HG2  ILE  44          2HG2      ILE  44   8.712   1.803  -3.866
  320   3HG2  ILE  44          3HG2      ILE  44   7.199   1.369  -4.661
  321   1HD1  ILE  44          1HD1      ILE  44   9.359   5.522  -3.030
  322   2HD1  ILE  44          2HD1      ILE  44   8.994   3.847  -2.615
  323   3HD1  ILE  44          3HD1      ILE  44   7.714   4.911  -3.200
  324    H    SER  45           H        SER  45   8.016   0.183  -6.930
  325    HA   SER  45           HA       SER  45   5.433   0.609  -8.383
  326   1HB   SER  45          2HB       SER  45   7.302  -0.561  -9.610
  327   2HB   SER  45          1HB       SER  45   7.210  -1.848  -8.410
  328    HG   SER  45           HG       SER  45   5.018  -0.935  -9.969
  329    H    CYS  46           H        CYS  46   3.590  -0.356  -7.584
  330    HA   CYS  46           HA       CYS  46   3.853  -2.334  -5.382
  331   1HB   CYS  46          2HB       CYS  46   2.606   0.388  -5.194
  332   2HB   CYS  46          1HB       CYS  46   1.899  -0.940  -4.274
  333    H    CYS  47           H        CYS  47   2.470  -3.983  -5.748
  334    HA   CYS  47           HA       CYS  47   0.132  -3.486  -7.556
  335   1HB   CYS  47          2HB       CYS  47   1.331  -6.203  -7.047
  336   2HB   CYS  47          1HB       CYS  47   0.383  -5.653  -8.428
  337    H    ASN  48           H        ASN  48  -1.847  -4.616  -7.015
  338    HA   ASN  48           HA       ASN  48  -1.993  -5.748  -4.264
  339   1HB   ASN  48          2HB       ASN  48  -4.139  -4.392  -3.962
  340   2HB   ASN  48          1HB       ASN  48  -2.635  -3.471  -3.886
  341   1HD2  ASN  48          1HD2      ASN  48  -5.643  -3.778  -5.560
  342   2HD2  ASN  48          2HD2      ASN  48  -5.322  -2.652  -6.790
  343    H    THR  49           H        THR  49  -3.056  -7.660  -4.395
  344    HA   THR  49           HA       THR  49  -4.877  -8.111  -6.722
  345    HB   THR  49           HB       THR  49  -3.700 -10.224  -4.907
  346    HG1  THR  49           1HG      THR  49  -2.002  -9.075  -5.831
  347   1HG2  THR  49          1HG2      THR  49  -5.593 -10.893  -6.322
  348   2HG2  THR  49          2HG2      THR  49  -4.103 -11.652  -6.882
  349   3HG2  THR  49          3HG2      THR  49  -4.764 -10.261  -7.743
  350    H    ALA  50           H        ALA  50  -4.860  -7.637  -3.337
  351    HA   ALA  50           HA       ALA  50  -7.112  -9.285  -2.625
  352   1HB   ALA  50          1HB       ALA  50  -5.766  -8.503  -0.827
  353   2HB   ALA  50          2HB       ALA  50  -7.284  -7.618  -0.678
  354   3HB   ALA  50          3HB       ALA  50  -5.869  -6.831  -1.376
  355    H    ALA  51           H        ALA  51  -9.294  -8.478  -2.103
  356    HA   ALA  51           HA       ALA  51 -10.605  -7.183  -4.204
  357   1HB   ALA  51          1HB       ALA  51 -11.487  -6.920  -1.323
  358   2HB   ALA  51          2HB       ALA  51 -11.640  -8.429  -2.223
  359   3HB   ALA  51          3HB       ALA  51 -12.500  -6.989  -2.765
  360    H    ILE  52           H        ILE  52 -11.878  -5.003  -3.810
  361    HA   ILE  52           HA       ILE  52  -9.976  -2.968  -2.727
  362    HB   ILE  52           HB       ILE  52 -11.611  -2.682  -5.261
  363   1HG1  ILE  52          2HG1      ILE  52  -9.205  -2.695  -6.265
  364   2HG1  ILE  52          1HG1      ILE  52  -8.743  -3.490  -4.763
  365   1HG2  ILE  52          1HG2      ILE  52 -10.352  -0.643  -5.587
  366   2HG2  ILE  52          2HG2      ILE  52  -9.356  -0.979  -4.172
  367   3HG2  ILE  52          3HG2      ILE  52 -11.065  -0.591  -3.975
  368   1HD1  ILE  52          1HD1      ILE  52  -9.904  -4.674  -7.074
  369   2HD1  ILE  52          2HD1      ILE  52 -11.112  -4.768  -5.794
  370   3HD1  ILE  52          3HD1      ILE  52  -9.509  -5.456  -5.545
  371    HA   PRO  53           HA       PRO  53 -13.636  -1.792  -0.420
  372   1HB   PRO  53          2HB       PRO  53 -12.709   0.924  -0.186
  373   2HB   PRO  53          1HB       PRO  53 -12.683  -0.351   1.035
  374   1HG   PRO  53          2HG       PRO  53 -10.469   0.738  -0.455
  375   2HG   PRO  53          1HG       PRO  53 -10.436  -0.480   0.823
  376   1HD   PRO  53          2HD       PRO  53  -9.959  -0.892  -1.963
  377   2HD   PRO  53          1HD       PRO  53 -10.076  -2.137  -0.696
  378    H    THR  54           H        THR  54 -15.567  -1.360  -1.379
  379    HA   THR  54           HA       THR  54 -15.664   0.740  -3.515
  380    HB   THR  54           HB       THR  54 -17.457  -0.501  -4.536
  381    HG1  THR  54           1HG      THR  54 -18.481  -2.103  -3.524
  382   1HG2  THR  54          1HG2      THR  54 -15.493  -2.619  -3.663
  383   2HG2  THR  54          2HG2      THR  54 -15.028  -1.321  -4.764
  384   3HG2  THR  54          3HG2      THR  54 -16.301  -2.453  -5.222
  385    H    GLY  55           H        GLY  55 -17.991   1.682  -3.675
  386   1HA   GLY  55          2HA       GLY  55 -19.788   2.803  -2.649
  387   2HA   GLY  55          1HA       GLY  55 -19.630   1.687  -1.292
  388    H    TYR  56           H        TYR  56 -16.758   2.381  -0.933
  389    HA   TYR  56           HA       TYR  56 -16.908   4.283   1.094
  390   1HB   TYR  56          2HB       TYR  56 -14.863   3.148   0.979
  391   2HB   TYR  56          1HB       TYR  56 -14.685   3.439  -0.750
  392    HD1  TYR  56           1HD      TYR  56 -15.186   5.545   2.327
  393    HD2  TYR  56           2HD      TYR  56 -12.972   4.915  -1.302
  394    HE1  TYR  56           1HE      TYR  56 -13.822   7.560   2.808
  395    HE2  TYR  56           2HE      TYR  56 -11.609   6.929  -0.820
  396    HH   TYR  56           HH       TYR  56 -11.990   9.115   0.568
  397    H    ASP  57           H        ASP  57 -17.606   6.358   1.005
  398    HA   ASP  57           HA       ASP  57 -17.838   7.812  -1.482
  399   1HB   ASP  57          2HB       ASP  57 -18.140   8.604   1.422
  400   2HB   ASP  57          1HB       ASP  57 -18.353   9.757   0.103
  401    H    THR  58           H        THR  58 -16.048   8.556  -2.522
  402    HA   THR  58           HA       THR  58 -13.493   8.940  -1.350
  403    HB   THR  58           HB       THR  58 -12.868   9.990  -3.407
  404    HG1  THR  58           1HG      THR  58 -14.991  10.422  -4.758
  405   1HG2  THR  58          1HG2      THR  58 -13.702   8.445  -5.041
  406   2HG2  THR  58          2HG2      THR  58 -15.190   8.191  -4.128
  407   3HG2  THR  58          3HG2      THR  58 -13.658   7.580  -3.503
  408    H    ASN  59           H        ASN  59 -14.038  10.130   0.639
  409    HA   ASN  59           HA       ASN  59 -14.848  12.961   0.267
  410   1HB   ASN  59          2HB       ASN  59 -15.935  11.768   2.090
  411   2HB   ASN  59          1HB       ASN  59 -14.372  11.298   2.758
  412   1HD2  ASN  59          1HD2      ASN  59 -14.860  14.519   1.383
  413   2HD2  ASN  59          2HD2      ASN  59 -14.792  15.355   2.859
  414    H    LYS  60           H        LYS  60 -12.245  11.205   2.009
  415    HA   LYS  60           HA       LYS  60 -10.173  12.883   0.923
  416   1HB   LYS  60          2HB       LYS  60 -11.508  14.343   2.672
  417   2HB   LYS  60          1HB       LYS  60 -10.591  13.410   3.853
  418   1HG   LYS  60          2HG       LYS  60  -9.126  15.177   3.502
  419   2HG   LYS  60          1HG       LYS  60  -8.545  14.043   2.285
  420   1HD   LYS  60          2HD       LYS  60  -8.768  15.958   0.988
  421   2HD   LYS  60          1HD       LYS  60 -10.364  15.244   0.766
  422   1HE   LYS  60          2HE       LYS  60 -11.090  16.629   2.807
  423   2HE   LYS  60          1HE       LYS  60  -9.574  17.508   2.607
  424   1HZ   LYS  60          1HZ       LYS  60 -11.460  17.129   0.362
  425   2HZ   LYS  60          2HZ       LYS  60 -10.204  18.264   0.510
  426   3HZ   LYS  60          3HZ       LYS  60 -11.615  18.427   1.443
  427    H    CYS  61           H        CYS  61 -10.218  10.200   0.999
  428    HA   CYS  61           HA       CYS  61  -8.070   9.567   2.946
  429   1HB   CYS  61          2HB       CYS  61 -10.211   7.503   2.604
  430   2HB   CYS  61          1HB       CYS  61  -9.158   7.809   3.983
  431    H    GLN  62           H        GLN  62  -7.234   7.244   2.399
  432    HA   GLN  62           HA       GLN  62  -7.396   6.770  -0.551
  433   1HB   GLN  62          2HB       GLN  62  -5.304   8.003   0.011
  434   2HB   GLN  62          1HB       GLN  62  -4.866   6.708   1.126
  435   1HG   GLN  62          2HG       GLN  62  -4.562   5.146  -0.609
  436   2HG   GLN  62          1HG       GLN  62  -5.507   6.097  -1.756
  437   1HE2  GLN  62          1HE2      GLN  62  -2.981   7.442   0.377
  438   2HE2  GLN  62          2HE2      GLN  62  -1.921   7.872  -0.877
  439    H    LYS  63           H        LYS  63  -6.426   4.518  -1.052
  440    HA   LYS  63           HA       LYS  63  -7.345   2.623   1.071
  441   1HB   LYS  63          2HB       LYS  63  -7.749   1.035  -0.751
  442   2HB   LYS  63          1HB       LYS  63  -8.591   2.549  -1.081
  443   1HG   LYS  63          2HG       LYS  63  -6.516   3.239  -2.418
  444   2HG   LYS  63          1HG       LYS  63  -6.018   1.550  -2.310
  445   1HD   LYS  63          2HD       LYS  63  -8.196   0.879  -3.324
  446   2HD   LYS  63          1HD       LYS  63  -8.600   2.584  -3.517
  447   1HE   LYS  63          2HE       LYS  63  -6.061   1.404  -4.654
  448   2HE   LYS  63          1HE       LYS  63  -7.575   1.418  -5.560
  449   1HZ   LYS  63          1HZ       LYS  63  -6.712   3.401  -6.208
  450   2HZ   LYS  63          2HZ       LYS  63  -5.860   3.649  -4.760
  451   3HZ   LYS  63          3HZ       LYS  63  -7.536   3.924  -4.821
  452    H    ILE  64           H        ILE  64  -5.991   0.922   1.666
  453    HA   ILE  64           HA       ILE  64  -3.348   0.693   0.325
  454    HB   ILE  64           HB       ILE  64  -3.436   2.261   2.462
  455   1HG1  ILE  64          2HG1      ILE  64  -1.366   1.726   1.329
  456   2HG1  ILE  64          1HG1      ILE  64  -1.122   1.477   3.056
  457   1HG2  ILE  64          1HG2      ILE  64  -3.057  -0.435   3.777
  458   2HG2  ILE  64          2HG2      ILE  64  -4.590   0.438   3.802
  459   3HG2  ILE  64          3HG2      ILE  64  -3.162   1.144   4.554
  460   1HD1  ILE  64          1HD1      ILE  64  -1.454  -0.585   0.887
  461   2HD1  ILE  64          2HD1      ILE  64  -1.790  -0.991   2.571
  462   3HD1  ILE  64          3HD1      ILE  64  -0.180  -0.453   2.097
  463    H    LEU  65           H        LEU  65  -2.838  -1.433   0.057
  464    HA   LEU  65           HA       LEU  65  -4.568  -3.451   1.345
  465   1HB   LEU  65          2HB       LEU  65  -4.253  -3.852  -0.974
  466   2HB   LEU  65          1HB       LEU  65  -2.524  -3.529  -0.880
  467    HG   LEU  65           HG       LEU  65  -2.119  -5.581   0.308
  468   1HD1  LEU  65          1HD1      LEU  65  -4.264  -7.100   0.632
  469   2HD1  LEU  65          2HD1      LEU  65  -5.097  -5.547   0.672
  470   3HD1  LEU  65          3HD1      LEU  65  -3.826  -5.899   1.844
  471   1HD2  LEU  65          1HD2      LEU  65  -3.931  -5.788  -2.087
  472   2HD2  LEU  65          2HD2      LEU  65  -3.360  -7.251  -1.288
  473   3HD2  LEU  65          3HD2      LEU  65  -2.202  -6.111  -1.970
  474    H    ASN  66           H        ASN  66  -3.908  -3.875   3.416
  475    HA   ASN  66           HA       ASN  66  -1.080  -3.844   4.152
  476   1HB   ASN  66          2HB       ASN  66  -2.941  -3.185   5.718
  477   2HB   ASN  66          1HB       ASN  66  -3.432  -4.878   5.760
  478   1HD2  ASN  66          1HD2      ASN  66  -0.082  -4.760   5.370
  479   2HD2  ASN  66          2HD2      ASN  66   0.371  -4.932   6.997
  480    H    LYS  67           H        LYS  67   0.266  -5.554   3.967
  481    HA   LYS  67           HA       LYS  67  -0.787  -8.130   3.052
  482   1HB   LYS  67          2HB       LYS  67   1.619  -8.771   2.965
  483   2HB   LYS  67          1HB       LYS  67   1.291  -7.275   2.093
  484   1HG   LYS  67          2HG       LYS  67   3.012  -6.420   3.321
  485   2HG   LYS  67          1HG       LYS  67   1.827  -6.323   4.621
  486   1HD   LYS  67          2HD       LYS  67   2.490  -8.627   5.337
  487   2HD   LYS  67          1HD       LYS  67   3.749  -8.610   4.104
  488   1HE   LYS  67          2HE       LYS  67   3.548  -6.987   6.624
  489   2HE   LYS  67          1HE       LYS  67   4.927  -7.879   5.983
  490   1HZ   LYS  67          1HZ       LYS  67   3.871  -5.257   5.156
  491   2HZ   LYS  67          2HZ       LYS  67   4.764  -6.199   4.060
  492   3HZ   LYS  67          3HZ       LYS  67   5.466  -5.699   5.524
  493    H    LYS  68           H        LYS  68  -0.631  -6.793   6.050
  494    HA   LYS  68           HA       LYS  68   0.621  -8.750   7.671
  495   1HB   LYS  68          2HB       LYS  68  -0.301  -6.515   8.440
  496   2HB   LYS  68          1HB       LYS  68  -1.907  -7.241   8.384
  497   1HG   LYS  68          2HG       LYS  68  -0.847  -9.112   9.870
  498   2HG   LYS  68          1HG       LYS  68   0.403  -7.912  10.197
  499   1HD   LYS  68          2HD       LYS  68  -1.294  -6.327  10.989
  500   2HD   LYS  68          1HD       LYS  68  -2.572  -7.482  10.611
  501   1HE   LYS  68          2HE       LYS  68  -1.040  -9.052  12.179
  502   2HE   LYS  68          1HE       LYS  68  -0.628  -7.482  12.869
  503   1HZ   LYS  68          1HZ       LYS  68  -3.142  -7.101  12.864
  504   2HZ   LYS  68          2HZ       LYS  68  -2.495  -8.135  14.046
  505   3HZ   LYS  68          3HZ       LYS  68  -3.270  -8.782  12.680
  506    H    THR  69           H        THR  69  -2.813  -8.471   6.742
  507    HA   THR  69           HA       THR  69  -3.028 -11.445   7.012
  508    HB   THR  69           HB       THR  69  -5.431 -10.970   7.781
  509    HG1  THR  69           1HG      THR  69  -4.305  -8.468   8.458
  510   1HG2  THR  69          1HG2      THR  69  -3.004 -10.296   9.447
  511   2HG2  THR  69          2HG2      THR  69  -3.892 -11.818   9.386
  512   3HG2  THR  69          3HG2      THR  69  -4.622 -10.401  10.141
  513    H    CYS  70           H        CYS  70  -2.625  -9.612   4.681
  514    HA   CYS  70           HA       CYS  70  -3.510  -9.278   2.529
  515   1HB   CYS  70          2HB       CYS  70  -4.852 -11.889   3.293
  516   2HB   CYS  70          1HB       CYS  70  -4.822 -11.226   1.659
  517    H    THR  71           H        THR  71  -4.719  -7.415   3.598
  518    HA   THR  71           HA       THR  71  -7.601  -7.717   3.003
  519    HB   THR  71           HB       THR  71  -7.963  -8.091   5.247
  520    HG1  THR  71           1HG      THR  71  -7.632  -5.614   6.112
  521   1HG2  THR  71          1HG2      THR  71  -5.649  -8.297   5.893
  522   2HG2  THR  71          2HG2      THR  71  -6.417  -7.182   7.022
  523   3HG2  THR  71          3HG2      THR  71  -5.396  -6.559   5.727
  524    H    TYR  72           H        TYR  72  -8.684  -5.504   3.085
  525    HA   TYR  72           HA       TYR  72  -6.723  -3.428   2.186
  526   1HB   TYR  72          2HB       TYR  72  -9.257  -4.377   1.131
  527   2HB   TYR  72          1HB       TYR  72  -9.329  -2.644   1.442
  528    HD1  TYR  72           1HD      TYR  72  -7.866  -1.083   0.259
  529    HD2  TYR  72           2HD      TYR  72  -7.672  -5.309  -0.486
  530    HE1  TYR  72           1HE      TYR  72  -6.538  -0.661  -1.793
  531    HE2  TYR  72           2HE      TYR  72  -6.344  -4.884  -2.538
  532    HH   TYR  72           HH       TYR  72  -4.844  -1.995  -3.193
  533    H    THR  73           H        THR  73  -6.767  -1.410   3.132
  534    HA   THR  73           HA       THR  73  -8.862  -0.866   5.185
  535    HB   THR  73           HB       THR  73  -7.362  -0.561   6.907
  536    HG1  THR  73           1HG      THR  73  -6.191   1.068   5.910
  537   1HG2  THR  73          1HG2      THR  73  -5.610  -2.300   5.156
  538   2HG2  THR  73          2HG2      THR  73  -7.064  -2.895   5.957
  539   3HG2  THR  73          3HG2      THR  73  -5.709  -2.301   6.917
  540    H    VAL  74           H        VAL  74  -9.166   1.414   5.569
  541    HA   VAL  74           HA       VAL  74  -8.088   3.120   3.358
  542    HB   VAL  74           HB       VAL  74 -10.488   3.846   5.023
  543   1HG1  VAL  74          1HG1      VAL  74 -11.104   5.102   3.092
  544   2HG1  VAL  74          2HG1      VAL  74  -9.959   4.232   2.069
  545   3HG1  VAL  74          3HG1      VAL  74  -9.370   5.366   3.286
  546   1HG2  VAL  74          1HG2      VAL  74 -11.040   1.604   4.378
  547   2HG2  VAL  74          2HG2      VAL  74 -10.357   1.830   2.767
  548   3HG2  VAL  74          3HG2      VAL  74 -11.849   2.657   3.217
  549    H    VAL  75           H        VAL  75  -6.555   4.538   4.013
  550    HA   VAL  75           HA       VAL  75  -6.559   5.419   6.874
  551    HB   VAL  75           HB       VAL  75  -4.147   6.085   6.321
  552   1HG1  VAL  75          1HG1      VAL  75  -3.344   3.734   6.521
  553   2HG1  VAL  75          2HG1      VAL  75  -4.976   3.171   6.161
  554   3HG1  VAL  75          3HG1      VAL  75  -4.665   4.089   7.635
  555   1HG2  VAL  75          1HG2      VAL  75  -4.541   4.190   3.996
  556   2HG2  VAL  75          2HG2      VAL  75  -3.131   5.185   4.358
  557   3HG2  VAL  75          3HG2      VAL  75  -4.625   5.941   3.805
  558    H    GLU  76           H        GLU  76  -5.662   7.720   7.127
  559    HA   GLU  76           HA       GLU  76  -6.906   9.455   5.030
  560   1HB   GLU  76          2HB       GLU  76  -6.238  10.437   7.787
  561   2HB   GLU  76          1HB       GLU  76  -7.537  10.942   6.706
  562   1HG   GLU  76          2HG       GLU  76  -8.522   8.605   7.021
  563   2HG   GLU  76          1HG       GLU  76  -7.367   8.402   8.338
  564    H    LYS  77           H        LYS  77  -5.645  10.978   4.029
  565    HA   LYS  77           HA       LYS  77  -2.794  10.768   4.161
  566   1HB   LYS  77          2HB       LYS  77  -4.506  13.012   3.049
  567   2HB   LYS  77          1HB       LYS  77  -2.792  12.772   2.710
  568   1HG   LYS  77          2HG       LYS  77  -4.701  10.505   2.212
  569   2HG   LYS  77          1HG       LYS  77  -4.627  11.827   1.048
  570   1HD   LYS  77          2HD       LYS  77  -2.053  10.596   1.984
  571   2HD   LYS  77          1HD       LYS  77  -3.027   9.727   0.799
  572   1HE   LYS  77          2HE       LYS  77  -2.925  11.545  -0.755
  573   2HE   LYS  77          1HE       LYS  77  -2.253  12.632   0.459
  574   1HZ   LYS  77          1HZ       LYS  77  -0.392  11.990  -0.697
  575   2HZ   LYS  77          2HZ       LYS  77  -0.957  10.411  -0.967
  576   3HZ   LYS  77          3HZ       LYS  77  -0.390  10.862   0.570
  577    H    LYS  78           H        LYS  78  -4.970  12.290   6.255
  578    HA   LYS  78           HA       LYS  78  -2.817  14.111   7.274
  579   1HB   LYS  78          2HB       LYS  78  -5.835  14.351   7.488
  580   2HB   LYS  78          1HB       LYS  78  -4.691  15.413   8.306
  581   1HG   LYS  78          2HG       LYS  78  -4.996  16.673   6.403
  582   2HG   LYS  78          1HG       LYS  78  -3.719  15.620   5.798
  583   1HD   LYS  78          2HD       LYS  78  -5.518  14.060   4.956
  584   2HD   LYS  78          1HD       LYS  78  -6.704  15.289   5.397
  585   1HE   LYS  78          2HE       LYS  78  -5.745  16.874   3.857
  586   2HE   LYS  78          1HE       LYS  78  -4.363  15.823   3.551
  587   1HZ   LYS  78          1HZ       LYS  78  -6.171  14.150   2.830
  588   2HZ   LYS  78          2HZ       LYS  78  -5.723  15.394   1.763
  589   3HZ   LYS  78          3HZ       LYS  78  -7.155  15.522   2.667
  590    H    ASP  79           H        ASP  79  -4.072  11.167   7.863
  591    HA   ASP  79           HA       ASP  79  -3.312  11.286  10.694
  592   1HB   ASP  79          2HB       ASP  79  -5.817  11.938  10.447
  593   2HB   ASP  79          1HB       ASP  79  -6.068  10.230  10.085
  594    HA   PRO  80           HA       PRO  80  -2.539   7.312   8.296
  595   1HB   PRO  80          2HB       PRO  80   0.152   7.401   9.318
  596   2HB   PRO  80          1HB       PRO  80  -0.387   7.579   7.646
  597   1HG   PRO  80          2HG       PRO  80   0.669   9.606   9.357
  598   2HG   PRO  80          1HG       PRO  80   0.059   9.795   7.712
  599   1HD   PRO  80          2HD       PRO  80  -1.173  10.655  10.197
  600   2HD   PRO  80          1HD       PRO  80  -1.728  10.947   8.531
  601    H    GLY  81           H        GLY  81  -3.527   7.901  11.125
  602   1HA   GLY  81          2HA       GLY  81  -2.382   5.453  12.423
  603   2HA   GLY  81          1HA       GLY  81  -2.767   6.903  13.350
  604    H    LYS  82           H        LYS  82  -5.200   7.330  11.586
  605    HA   LYS  82           HA       LYS  82  -6.933   5.257  12.886
  606   1HB   LYS  82          2HB       LYS  82  -7.634   8.107  12.118
  607   2HB   LYS  82          1HB       LYS  82  -8.703   6.958  12.920
  608   1HG   LYS  82          2HG       LYS  82  -6.987   6.802  14.776
  609   2HG   LYS  82          1HG       LYS  82  -6.143   8.151  14.014
  610   1HD   LYS  82          2HD       LYS  82  -8.327   9.444  14.138
  611   2HD   LYS  82          1HD       LYS  82  -8.947   8.142  15.154
  612   1HE   LYS  82          2HE       LYS  82  -6.850   8.513  16.605
  613   2HE   LYS  82          1HE       LYS  82  -6.663  10.032  15.727
  614   1HZ   LYS  82          1HZ       LYS  82  -7.918  10.447  17.692
  615   2HZ   LYS  82          2HZ       LYS  82  -8.997   9.180  17.350
  616   3HZ   LYS  82          3HZ       LYS  82  -8.976  10.569  16.372
  617    H    THR  83           H        THR  83  -8.695   4.440  11.633
  618    HA   THR  83           HA       THR  83  -8.161   4.431   8.740
  619    HB   THR  83           HB       THR  83  -9.771   2.646   8.634
  620    HG1  THR  83           1HG      THR  83 -11.262   2.338  10.151
  621   1HG2  THR  83          1HG2      THR  83  -8.363   2.359  11.297
  622   2HG2  THR  83          2HG2      THR  83  -7.547   2.184   9.743
  623   3HG2  THR  83          3HG2      THR  83  -8.836   1.068  10.192
  624    H    CYS  84           H        CYS  84  -9.854   4.949   7.169
  625    HA   CYS  84           HA       CYS  84 -11.464   7.271   8.045
  626   1HB   CYS  84          2HB       CYS  84 -10.122   6.526   5.646
  627   2HB   CYS  84          1HB       CYS  84 -11.839   6.611   5.261
  628    H    ASP  85           H        ASP  85 -13.579   7.073   6.197
  629    HA   ASP  85           HA       ASP  85 -15.279   5.130   7.589
  630   1HB   ASP  85          2HB       ASP  85 -16.031   7.455   6.916
  631   2HB   ASP  85          1HB       ASP  85 -16.007   6.901   5.242
  632    H    VAL  86           H        VAL  86 -16.225   3.296   6.638
  633    HA   VAL  86           HA       VAL  86 -15.243   2.571   3.902
  634    HB   VAL  86           HB       VAL  86 -15.663   0.556   6.109
  635   1HG1  VAL  86          1HG1      VAL  86 -15.548  -0.371   3.879
  636   2HG1  VAL  86          2HG1      VAL  86 -14.013  -0.707   4.679
  637   3HG1  VAL  86          3HG1      VAL  86 -14.124   0.598   3.497
  638   1HG2  VAL  86          1HG2      VAL  86 -13.205   2.201   5.469
  639   2HG2  VAL  86          2HG2      VAL  86 -13.116   0.660   6.323
  640   3HG2  VAL  86          3HG2      VAL  86 -14.003   2.011   7.030
  641    H    THR  87           H        THR  87 -16.639   0.783   2.938
  642    HA   THR  87           HA       THR  87 -19.454   0.902   3.922
  643    HB   THR  87           HB       THR  87 -18.620   1.229   1.027
  644    HG1  THR  87           1HG      THR  87 -18.188   3.087   2.226
  645   1HG2  THR  87          1HG2      THR  87 -20.756   0.135   1.188
  646   2HG2  THR  87          2HG2      THR  87 -21.066   1.827   0.797
  647   3HG2  THR  87          3HG2      THR  87 -21.292   1.247   2.448
  648    H    GLY  88           H        GLY  88 -17.261  -0.630   1.566
  649   1HA   GLY  88          2HA       GLY  88 -17.722  -3.276   2.495
  650   2HA   GLY  88          1HA       GLY  88 -18.829  -2.973   1.157
  651    H    TRP  89           H        TRP  89 -16.896  -4.919   0.861
  652    HA   TRP  89           HA       TRP  89 -14.947  -3.637  -1.024
  653   1HB   TRP  89          2HB       TRP  89 -14.445  -6.317   0.246
  654   2HB   TRP  89          1HB       TRP  89 -13.283  -5.143  -0.372
  655    HD1  TRP  89           HD       TRP  89 -12.622  -3.111   1.182
  656    HE1  TRP  89           1HE      TRP  89 -12.914  -2.687   3.706
  657    HE3  TRP  89           3HE      TRP  89 -16.028  -6.748   2.298
  658    HZ2  TRP  89           2HZ      TRP  89 -14.396  -3.750   5.910
  659    HZ3  TRP  89           3HZ      TRP  89 -16.861  -7.020   4.617
  660    HH2  TRP  89           HH       TRP  89 -16.050  -5.527   6.422
  661    H    VAL  90           H        VAL  90 -14.550  -4.821  -2.992
  662    HA   VAL  90           HA       VAL  90 -16.631  -6.890  -3.608
  663    HB   VAL  90           HB       VAL  90 -15.531  -4.672  -5.350
  664   1HG1  VAL  90          1HG1      VAL  90 -17.184  -5.708  -7.041
  665   2HG1  VAL  90          2HG1      VAL  90 -17.104  -7.157  -6.039
  666   3HG1  VAL  90          3HG1      VAL  90 -15.645  -6.536  -6.811
  667   1HG2  VAL  90          1HG2      VAL  90 -17.364  -4.013  -3.863
  668   2HG2  VAL  90          2HG2      VAL  90 -18.319  -5.397  -4.394
  669   3HG2  VAL  90          3HG2      VAL  90 -17.951  -4.095  -5.524
  670    H    LEU  91           H        LEU  91 -15.480  -8.782  -3.580
  671    HA   LEU  91           HA       LEU  91 -12.704  -8.885  -4.508
  672   1HB   LEU  91          2HB       LEU  91 -13.894 -10.319  -2.644
  673   2HB   LEU  91          1HB       LEU  91 -14.385 -11.329  -4.001
  674    HG   LEU  91           HG       LEU  91 -11.527 -10.547  -3.345
  675   1HD1  LEU  91          1HD1      LEU  91 -12.266 -12.124  -1.704
  676   2HD1  LEU  91          2HD1      LEU  91 -11.360 -13.054  -2.898
  677   3HD1  LEU  91          3HD1      LEU  91 -13.124 -13.081  -2.911
  678   1HD2  LEU  91          1HD2      LEU  91 -11.598 -10.889  -5.680
  679   2HD2  LEU  91          2HD2      LEU  91 -12.814 -12.160  -5.550
  680   3HD2  LEU  91          3HD2      LEU  91 -11.151 -12.476  -5.057
  Start of MODEL   10
    1   1H    GLN   1          1HT       GLN   1  -5.399  -4.017 -11.915
    2   2H    GLN   1          2HT       GLN   1  -4.331  -3.818 -10.609
    3   3H    GLN   1          3HT       GLN   1  -4.263  -5.224 -11.558
    4    HA   GLN   1           HA       GLN   1  -3.003  -4.281 -13.121
    5   1HB   GLN   1          2HB       GLN   1  -5.068  -2.907 -13.735
    6   2HB   GLN   1          1HB       GLN   1  -4.410  -1.634 -12.705
    7   1HG   GLN   1          2HG       GLN   1  -2.257  -1.833 -14.067
    8   2HG   GLN   1          1HG       GLN   1  -3.180  -2.819 -15.202
    9   1HE2  GLN   1          1HE2      GLN   1  -2.742   0.456 -13.965
   10   2HE2  GLN   1          2HE2      GLN   1  -3.758   1.215 -15.092
   11    H    CYS   2           H        CYS   2  -0.948  -4.050 -12.381
   12    HA   CYS   2           HA       CYS   2  -0.309  -2.686  -9.928
   13   1HB   CYS   2          2HB       CYS   2   1.021  -4.558 -11.079
   14   2HB   CYS   2          1HB       CYS   2   1.656  -3.303 -12.144
   15    H    TYR   3           H        TYR   3   1.204  -0.782  -9.818
   16    HA   TYR   3           HA       TYR   3   1.143   1.008 -12.174
   17   1HB   TYR   3          2HB       TYR   3   0.290   2.864 -10.536
   18   2HB   TYR   3          1HB       TYR   3  -0.881   1.762 -11.259
   19    HD1  TYR   3           1HD      TYR   3   1.069   2.501  -8.193
   20    HD2  TYR   3           2HD      TYR   3  -2.070   0.146  -9.939
   21    HE1  TYR   3           1HE      TYR   3   0.389   1.732  -5.935
   22    HE2  TYR   3           2HE      TYR   3  -2.750  -0.620  -7.681
   23    HH   TYR   3           HH       TYR   3  -1.807   0.850  -4.877
   24    H    PHE   4           H        PHE   4   2.540   2.919 -11.836
   25    HA   PHE   4           HA       PHE   4   4.704   2.343  -9.847
   26   1HB   PHE   4          2HB       PHE   4   4.706   3.608 -12.584
   27   2HB   PHE   4          1HB       PHE   4   6.024   3.907 -11.452
   28    HD1  PHE   4           1HD      PHE   4   3.994   1.006 -12.718
   29    HD2  PHE   4           2HD      PHE   4   7.862   2.479 -11.568
   30    HE1  PHE   4           1HE      PHE   4   5.006  -1.176 -13.326
   31    HE2  PHE   4           2HE      PHE   4   8.873   0.297 -12.175
   32    HZ   PHE   4           HZ       PHE   4   7.445  -1.530 -13.054
   33    H    ILE   5           H        ILE   5   5.171   3.890  -8.337
   34    HA   ILE   5           HA       ILE   5   3.718   6.499  -8.546
   35    HB   ILE   5           HB       ILE   5   4.693   5.261  -5.974
   36   1HG1  ILE   5          2HG1      ILE   5   2.012   4.779  -5.935
   37   2HG1  ILE   5          1HG1      ILE   5   2.337   4.536  -7.650
   38   1HG2  ILE   5          1HG2      ILE   5   2.511   7.261  -6.636
   39   2HG2  ILE   5          2HG2      ILE   5   4.100   7.656  -5.981
   40   3HG2  ILE   5          3HG2      ILE   5   2.957   6.723  -5.016
   41   1HD1  ILE   5          1HD1      ILE   5   2.590   2.420  -6.432
   42   2HD1  ILE   5          2HD1      ILE   5   3.771   3.164  -5.355
   43   3HD1  ILE   5          3HD1      ILE   5   4.150   2.945  -7.063
   44    HA   PRO   6           HA       PRO   6   8.096   7.741  -8.887
   45   1HB   PRO   6          2HB       PRO   6   7.213  10.472  -9.141
   46   2HB   PRO   6          1HB       PRO   6   7.857   9.410 -10.394
   47   1HG   PRO   6          2HG       PRO   6   5.162  10.307 -10.086
   48   2HG   PRO   6          1HG       PRO   6   5.797   9.195 -11.302
   49   1HD   PRO   6          2HD       PRO   6   4.106   8.590  -9.028
   50   2HD   PRO   6          1HD       PRO   6   4.679   7.483 -10.302
   51    H    ASN   7           H        ASN   7   9.231   7.906  -6.997
   52    HA   ASN   7           HA       ASN   7   8.293   8.647  -4.490
   53   1HB   ASN   7          2HB       ASN   7  10.621   7.717  -5.199
   54   2HB   ASN   7          1HB       ASN   7  11.086   9.413  -5.339
   55   1HD2  ASN   7          1HD2      ASN   7  11.621  10.497  -3.411
   56   2HD2  ASN   7          2HD2      ASN   7  11.385   9.855  -1.857
   57    H    GLN   8           H        GLN   8   8.581  10.646  -3.232
   58    HA   GLN   8           HA       GLN   8   8.696  13.119  -4.912
   59   1HB   GLN   8          2HB       GLN   8   6.931  13.955  -3.133
   60   2HB   GLN   8          1HB       GLN   8   6.396  13.019  -4.529
   61   1HG   GLN   8          2HG       GLN   8   7.170  11.647  -1.957
   62   2HG   GLN   8          1HG       GLN   8   5.546  12.296  -2.185
   63   1HE2  GLN   8          1HE2      GLN   8   6.557   9.400  -2.075
   64   2HE2  GLN   8          2HE2      GLN   8   5.953   8.694  -3.495
   65    H    SER   9           H        SER   9  10.511  11.604  -2.923
   66    HA   SER   9           HA       SER   9  11.267  14.040  -1.398
   67   1HB   SER   9          2HB       SER   9   9.869  12.666   0.125
   68   2HB   SER   9          1HB       SER   9  10.947  11.298  -0.138
   69    HG   SER   9           HG       SER   9  12.000  13.771   0.674
   70    H    LEU  10           H        LEU  10  13.507  14.109  -0.900
   71    HA   LEU  10           HA       LEU  10  15.148  12.105  -2.392
   72   1HB   LEU  10          2HB       LEU  10  16.067  14.818  -1.420
   73   2HB   LEU  10          1HB       LEU  10  16.802  13.800  -2.659
   74    HG   LEU  10           HG       LEU  10  14.088  15.142  -2.854
   75   1HD1  LEU  10          1HD1      LEU  10  15.094  16.628  -4.426
   76   2HD1  LEU  10          2HD1      LEU  10  16.567  15.661  -4.508
   77   3HD1  LEU  10          3HD1      LEU  10  16.196  16.582  -3.051
   78   1HD2  LEU  10          1HD2      LEU  10  15.617  13.264  -4.665
   79   2HD2  LEU  10          2HD2      LEU  10  14.379  14.352  -5.296
   80   3HD2  LEU  10          3HD2      LEU  10  13.951  13.125  -4.104
   81    H    LYS  11           H        LYS  11  14.090  11.612   0.261
   82    HA   LYS  11           HA       LYS  11  15.702  12.134   2.444
   83   1HB   LYS  11          2HB       LYS  11  14.225   9.660   1.579
   84   2HB   LYS  11          1HB       LYS  11  15.197   9.619   3.047
   85   1HG   LYS  11          2HG       LYS  11  13.949  11.528   3.957
   86   2HG   LYS  11          1HG       LYS  11  13.002  11.631   2.472
   87   1HD   LYS  11          2HD       LYS  11  12.357   9.173   2.929
   88   2HD   LYS  11          1HD       LYS  11  12.975   9.450   4.557
   89   1HE   LYS  11          2HE       LYS  11  10.817  11.096   3.206
   90   2HE   LYS  11          1HE       LYS  11  10.537   9.860   4.431
   91   1HZ   LYS  11          1HZ       LYS  11  11.724  12.522   4.711
   92   2HZ   LYS  11          2HZ       LYS  11  12.282  11.286   5.735
   93   3HZ   LYS  11          3HZ       LYS  11  10.637  11.711   5.729
   94    HA   PRO  12           HA       PRO  12  19.798  10.671   1.682
   95   1HB   PRO  12          2HB       PRO  12  19.996   9.120   4.104
   96   2HB   PRO  12          1HB       PRO  12  20.662  10.721   3.770
   97   1HG   PRO  12          2HG       PRO  12  18.364  10.018   5.400
   98   2HG   PRO  12          1HG       PRO  12  19.150  11.590   5.214
   99   1HD   PRO  12          2HD       PRO  12  16.602  10.871   4.221
  100   2HD   PRO  12          1HD       PRO  12  17.531  12.322   3.774
  101    H    ASN  13           H        ASN  13  17.401   8.254   2.687
  102    HA   ASN  13           HA       ASN  13  18.173   6.455   0.590
  103   1HB   ASN  13          2HB       ASN  13  18.995   4.601   2.082
  104   2HB   ASN  13          1HB       ASN  13  20.099   5.972   1.974
  105   1HD2  ASN  13          1HD2      ASN  13  21.028   5.775   4.092
  106   2HD2  ASN  13          2HD2      ASN  13  20.124   5.982   5.513
  107    H    GLU  14           H        GLU  14  15.712   7.504   1.386
  108    HA   GLU  14           HA       GLU  14  14.282   5.005   2.132
  109   1HB   GLU  14          2HB       GLU  14  14.064   7.683   3.501
  110   2HB   GLU  14          1HB       GLU  14  12.712   6.550   3.506
  111   1HG   GLU  14          2HG       GLU  14  14.157   4.819   4.488
  112   2HG   GLU  14          1HG       GLU  14  15.516   5.944   4.478
  113    H    CYS  15           H        CYS  15  11.822   5.425   1.791
  114    HA   CYS  15           HA       CYS  15  11.342   7.316  -0.456
  115   1HB   CYS  15          2HB       CYS  15   9.954   5.287  -1.444
  116   2HB   CYS  15          1HB       CYS  15  11.680   5.429  -1.772
  117    H    GLN  16           H        GLN  16   9.692   8.544   0.288
  118    HA   GLN  16           HA       GLN  16   7.645   7.306   2.066
  119   1HB   GLN  16          2HB       GLN  16   8.645   9.367   2.902
  120   2HB   GLN  16          1HB       GLN  16   8.270  10.199   1.393
  121   1HG   GLN  16          2HG       GLN  16   6.056   8.907   2.970
  122   2HG   GLN  16          1HG       GLN  16   6.668  10.488   3.455
  123   1HE2  GLN  16          1HE2      GLN  16   4.220   9.188   1.695
  124   2HE2  GLN  16          2HE2      GLN  16   4.021  10.394   0.519
  125    H    ASP  17           H        ASP  17   5.568   6.983   1.330
  126    HA   ASP  17           HA       ASP  17   4.822   8.209  -1.299
  127   1HB   ASP  17          2HB       ASP  17   3.962   5.429  -0.505
  128   2HB   ASP  17          1HB       ASP  17   3.975   6.163  -2.109
  129    H    LEU  18           H        LEU  18   2.344   7.892  -1.635
  130    HA   LEU  18           HA       LEU  18   0.268   8.727  -0.895
  131   1HB   LEU  18          2HB       LEU  18   0.698   6.868   1.443
  132   2HB   LEU  18          1HB       LEU  18  -0.807   7.249   0.608
  133    HG   LEU  18           HG       LEU  18   1.520   5.626  -0.455
  134   1HD1  LEU  18          1HD1      LEU  18  -1.404   4.885  -0.245
  135   2HD1  LEU  18          2HD1      LEU  18  -0.271   4.603   1.076
  136   3HD1  LEU  18          3HD1      LEU  18  -0.023   3.813  -0.481
  137   1HD2  LEU  18          1HD2      LEU  18  -0.040   5.405  -2.487
  138   2HD2  LEU  18          2HD2      LEU  18   0.802   6.944  -2.309
  139   3HD2  LEU  18          3HD2      LEU  18  -0.895   6.808  -1.847
  140    H    LYS  19           H        LYS  19  -0.338   8.525   2.117
  141    HA   LYS  19           HA       LYS  19   1.037  11.078   2.873
  142   1HB   LYS  19          2HB       LYS  19  -1.642  10.723   2.523
  143   2HB   LYS  19          1HB       LYS  19  -1.498  10.333   4.236
  144   1HG   LYS  19          2HG       LYS  19  -1.844  12.666   4.227
  145   2HG   LYS  19          1HG       LYS  19  -0.096  12.507   4.404
  146   1HD   LYS  19          2HD       LYS  19  -0.261  12.529   1.700
  147   2HD   LYS  19          1HD       LYS  19  -1.684  13.495   2.084
  148   1HE   LYS  19          2HE       LYS  19   0.104  15.058   1.914
  149   2HE   LYS  19          1HE       LYS  19  -0.159  14.842   3.644
  150   1HZ   LYS  19          1HZ       LYS  19   1.821  13.253   2.121
  151   2HZ   LYS  19          2HZ       LYS  19   1.685  13.419   3.806
  152   3HZ   LYS  19          3HZ       LYS  19   2.212  14.728   2.861
  153    H    GLY  20           H        GLY  20   0.728   7.782   3.659
  154   1HA   GLY  20          2HA       GLY  20   2.139   8.282   6.219
  155   2HA   GLY  20          1HA       GLY  20   0.647   7.350   6.299
  156    H    VAL  21           H        VAL  21   3.156   7.242   3.770
  157    HA   VAL  21           HA       VAL  21   3.578   4.359   4.483
  158    HB   VAL  21           HB       VAL  21   3.646   5.769   1.807
  159   1HG1  VAL  21          1HG1      VAL  21   4.718   3.070   2.639
  160   2HG1  VAL  21          2HG1      VAL  21   5.534   4.332   1.716
  161   3HG1  VAL  21          3HG1      VAL  21   4.231   3.401   0.977
  162   1HG2  VAL  21          1HG2      VAL  21   1.957   4.062   1.238
  163   2HG2  VAL  21          2HG2      VAL  21   1.441   5.010   2.634
  164   3HG2  VAL  21          3HG2      VAL  21   2.091   3.386   2.861
  165    H    SER  22           H        SER  22   5.773   3.576   4.334
  166    HA   SER  22           HA       SER  22   7.966   5.351   3.674
  167   1HB   SER  22          2HB       SER  22   8.872   5.694   5.888
  168   2HB   SER  22          1HB       SER  22   7.206   6.262   5.900
  169    HG   SER  22           HG       SER  22   6.649   4.630   7.152
  170    H    HIS  23           H        HIS  23   9.575   4.019   3.013
  171    HA   HIS  23           HA       HIS  23  10.111   1.513   4.472
  172   1HB   HIS  23          2HB       HIS  23   8.960   1.666   1.715
  173   2HB   HIS  23          1HB       HIS  23  10.190   0.439   2.012
  174    HD1  HIS  23           1HD      HIS  23   9.559  -1.546   3.504
  175    HD2  HIS  23           2HD      HIS  23   6.557   1.340   3.287
  176    HE1  HIS  23           1HE      HIS  23   7.504  -2.567   4.575
  177    HA   PRO  24           HA       PRO  24  14.311   2.541   3.547
  178   1HB   PRO  24          2HB       PRO  24  15.073  -0.094   2.670
  179   2HB   PRO  24          1HB       PRO  24  15.364   0.663   4.239
  180   1HG   PRO  24          2HG       PRO  24  13.468  -1.419   3.568
  181   2HG   PRO  24          1HG       PRO  24  13.866  -0.764   5.159
  182   1HD   PRO  24          2HD       PRO  24  11.443  -0.376   3.721
  183   2HD   PRO  24          1HD       PRO  24  11.947   0.470   5.205
  184    H    LEU  25           H        LEU  25  15.221   3.471   1.736
  185    HA   LEU  25           HA       LEU  25  14.046   3.228  -0.839
  186   1HB   LEU  25          2HB       LEU  25  15.394   5.181  -0.157
  187   2HB   LEU  25          1HB       LEU  25  16.837   4.169  -0.111
  188    HG   LEU  25           HG       LEU  25  16.551   3.676  -2.528
  189   1HD1  LEU  25          1HD1      LEU  25  14.277   3.877  -3.018
  190   2HD1  LEU  25          2HD1      LEU  25  14.909   5.382  -3.680
  191   3HD1  LEU  25          3HD1      LEU  25  14.108   5.379  -2.108
  192   1HD2  LEU  25          1HD2      LEU  25  16.517   6.651  -1.939
  193   2HD2  LEU  25          2HD2      LEU  25  17.254   5.861  -3.333
  194   3HD2  LEU  25          3HD2      LEU  25  17.925   5.611  -1.721
  195    H    ASN  26           H        ASN  26  14.831   2.159  -2.742
  196    HA   ASN  26           HA       ASN  26  15.659   0.272  -3.868
  197   1HB   ASN  26          2HB       ASN  26  17.762   1.581  -3.518
  198   2HB   ASN  26          1HB       ASN  26  18.021   0.694  -2.014
  199   1HD2  ASN  26          1HD2      ASN  26  18.478   0.577  -5.433
  200   2HD2  ASN  26          2HD2      ASN  26  19.012  -1.031  -5.529
  201    H    SER  27           H        SER  27  13.920  -0.919  -2.584
  202    HA   SER  27           HA       SER  27  15.154  -3.253  -1.317
  203   1HB   SER  27          2HB       SER  27  13.614  -1.212   0.249
  204   2HB   SER  27          1HB       SER  27  13.436  -2.913   0.672
  205    HG   SER  27           HG       SER  27  15.182  -2.382   1.796
  206    H    VAL  28           H        VAL  28  13.952  -5.023  -1.833
  207    HA   VAL  28           HA       VAL  28  11.211  -4.566  -2.940
  208    HB   VAL  28           HB       VAL  28  11.763  -6.975  -3.879
  209   1HG1  VAL  28          1HG1      VAL  28  12.717  -4.291  -4.826
  210   2HG1  VAL  28          2HG1      VAL  28  11.479  -5.342  -5.514
  211   3HG1  VAL  28          3HG1      VAL  28  13.183  -5.728  -5.734
  212   1HG2  VAL  28          1HG2      VAL  28  14.102  -7.424  -4.169
  213   2HG2  VAL  28          2HG2      VAL  28  13.873  -7.054  -2.460
  214   3HG2  VAL  28          3HG2      VAL  28  14.546  -5.836  -3.544
  215    H    TRP  29           H        TRP  29   9.499  -5.626  -1.971
  216    HA   TRP  29           HA       TRP  29  10.037  -7.901  -0.161
  217   1HB   TRP  29          2HB       TRP  29   8.762  -6.862   1.696
  218   2HB   TRP  29          1HB       TRP  29  10.233  -5.963   1.327
  219    HD1  TRP  29           HD       TRP  29   6.431  -5.809   0.849
  220    HE1  TRP  29           1HE      TRP  29   5.764  -3.362   0.379
  221    HE3  TRP  29           3HE      TRP  29  11.061  -3.689   0.478
  222    HZ2  TRP  29           2HZ      TRP  29   7.031  -0.839  -0.091
  223    HZ3  TRP  29           3HZ      TRP  29  11.302  -1.266   0.019
  224    HH2  TRP  29           HH       TRP  29   9.295   0.159  -0.266
  225    H    LYS  30           H        LYS  30   8.404  -9.371  -0.276
  226    HA   LYS  30           HA       LYS  30   5.835  -8.509  -1.562
  227   1HB   LYS  30          2HB       LYS  30   6.789 -11.348  -1.712
  228   2HB   LYS  30          1HB       LYS  30   5.812 -10.432  -2.862
  229   1HG   LYS  30          2HG       LYS  30   7.865  -9.034  -3.348
  230   2HG   LYS  30          1HG       LYS  30   8.791 -10.179  -2.376
  231   1HD   LYS  30          2HD       LYS  30   7.786 -12.007  -3.894
  232   2HD   LYS  30          1HD       LYS  30   7.326 -10.685  -4.968
  233   1HE   LYS  30          2HE       LYS  30  10.061 -11.677  -4.250
  234   2HE   LYS  30          1HE       LYS  30   9.423 -11.196  -5.822
  235   1HZ   LYS  30          1HZ       LYS  30   9.350  -8.884  -4.950
  236   2HZ   LYS  30          2HZ       LYS  30  10.918  -9.520  -5.096
  237   3HZ   LYS  30          3HZ       LYS  30  10.178  -9.419  -3.571
  238    H    THR  31           H        THR  31   4.066 -10.255  -1.024
  239    HA   THR  31           HA       THR  31   4.382 -11.366   1.706
  240    HB   THR  31           HB       THR  31   3.483  -9.349   2.435
  241    HG1  THR  31           1HG      THR  31   1.458  -9.843   3.012
  242   1HG2  THR  31          1HG2      THR  31   1.927  -9.295  -0.163
  243   2HG2  THR  31          2HG2      THR  31   3.295  -8.269   0.272
  244   3HG2  THR  31          3HG2      THR  31   1.757  -8.094   1.117
  245    H    LYS  32           H        LYS  32   4.015 -13.458   0.969
  246    HA   LYS  32           HA       LYS  32   2.854 -15.261  -0.015
  247   1HB   LYS  32          2HB       LYS  32   0.738 -13.616   1.375
  248   2HB   LYS  32          1HB       LYS  32   0.337 -15.133   0.569
  249   1HG   LYS  32          2HG       LYS  32   1.935 -16.344   1.955
  250   2HG   LYS  32          1HG       LYS  32   2.471 -14.839   2.702
  251   1HD   LYS  32          2HD       LYS  32   0.131 -14.484   3.534
  252   2HD   LYS  32          1HD       LYS  32  -0.287 -16.080   2.908
  253   1HE   LYS  32          2HE       LYS  32   0.263 -16.220   5.300
  254   2HE   LYS  32          1HE       LYS  32   1.460 -17.092   4.343
  255   1HZ   LYS  32          1HZ       LYS  32   3.040 -15.776   5.122
  256   2HZ   LYS  32          2HZ       LYS  32   1.902 -15.015   6.130
  257   3HZ   LYS  32          3HZ       LYS  32   2.223 -14.391   4.584
  258    H    ASP  33           H        ASP  33   3.360 -13.005  -1.804
  259    HA   ASP  33           HA       ASP  33   2.754 -12.344  -3.967
  260   1HB   ASP  33          2HB       ASP  33   2.360 -14.911  -4.061
  261   2HB   ASP  33          1HB       ASP  33   0.648 -14.504  -3.948
  262    H    CYS  34           H        CYS  34   0.640 -12.268  -1.353
  263    HA   CYS  34           HA       CYS  34  -1.800 -11.383  -2.508
  264   1HB   CYS  34          2HB       CYS  34  -1.604 -11.890  -0.112
  265   2HB   CYS  34          1HB       CYS  34  -0.502 -10.528   0.100
  266    H    GLU  35           H        GLU  35   1.252  -9.736  -1.979
  267    HA   GLU  35           HA       GLU  35   0.414  -7.576  -3.766
  268   1HB   GLU  35          2HB       GLU  35  -0.506  -6.700  -1.701
  269   2HB   GLU  35          1HB       GLU  35   0.992  -7.040  -0.835
  270   1HG   GLU  35          2HG       GLU  35   2.192  -5.377  -2.069
  271   2HG   GLU  35          1HG       GLU  35   0.875  -5.193  -3.228
  272    H    GLU  36           H        GLU  36   2.243  -6.418  -4.564
  273    HA   GLU  36           HA       GLU  36   4.910  -7.358  -3.577
  274   1HB   GLU  36          2HB       GLU  36   4.199  -8.499  -5.721
  275   2HB   GLU  36          1HB       GLU  36   4.194  -6.910  -6.488
  276   1HG   GLU  36          2HG       GLU  36   6.576  -6.616  -5.838
  277   2HG   GLU  36          1HG       GLU  36   6.571  -8.245  -5.160
  278    H    CYS  37           H        CYS  37   5.483  -5.448  -2.556
  279    HA   CYS  37           HA       CYS  37   5.371  -2.944  -4.178
  280   1HB   CYS  37          2HB       CYS  37   5.026  -3.534  -1.289
  281   2HB   CYS  37          1HB       CYS  37   5.905  -2.057  -1.679
  282    H    THR  38           H        THR  38   7.235  -1.704  -4.400
  283    HA   THR  38           HA       THR  38   9.741  -2.617  -3.116
  284    HB   THR  38           HB       THR  38   9.708  -3.985  -5.116
  285    HG1  THR  38           1HG      THR  38  11.615  -2.609  -4.521
  286   1HG2  THR  38          1HG2      THR  38   9.588  -2.805  -7.368
  287   2HG2  THR  38          2HG2      THR  38   9.011  -1.386  -6.495
  288   3HG2  THR  38          3HG2      THR  38   8.075  -2.880  -6.466
  289    H    CYS  39           H        CYS  39  11.416  -0.976  -3.262
  290    HA   CYS  39           HA       CYS  39  10.335   1.718  -4.001
  291   1HB   CYS  39          2HB       CYS  39  12.057   0.730  -1.784
  292   2HB   CYS  39          1HB       CYS  39  12.483   2.302  -2.459
  293    H    GLY  40           H        GLY  40  11.011   1.911  -6.132
  294   1HA   GLY  40          2HA       GLY  40  13.570   1.001  -7.091
  295   2HA   GLY  40          1HA       GLY  40  12.500   2.123  -7.935
  296    H    GLN  41           H        GLN  41  15.324   2.450  -7.849
  297    HA   GLN  41           HA       GLN  41  16.274   4.183  -5.831
  298   1HB   GLN  41          2HB       GLN  41  17.529   3.085  -7.835
  299   2HB   GLN  41          1HB       GLN  41  17.060   4.538  -8.718
  300   1HG   GLN  41          2HG       GLN  41  18.608   4.479  -6.112
  301   2HG   GLN  41          1HG       GLN  41  19.287   4.817  -7.703
  302   1HE2  GLN  41          1HE2      GLN  41  18.243   6.768  -8.873
  303   2HE2  GLN  41          2HE2      GLN  41  17.759   8.081  -7.913
  304    H    ASP  42           H        ASP  42  14.524   4.914  -8.829
  305    HA   ASP  42           HA       ASP  42  14.006   7.656  -7.739
  306   1HB   ASP  42          2HB       ASP  42  14.014   8.469 -10.088
  307   2HB   ASP  42          1HB       ASP  42  15.580   7.816  -9.607
  308    H    ALA  43           H        ALA  43  12.503   4.923  -7.932
  309    HA   ALA  43           HA       ALA  43   9.904   6.153  -8.476
  310   1HB   ALA  43          1HB       ALA  43   9.234   4.780 -10.308
  311   2HB   ALA  43          2HB       ALA  43  10.662   3.757 -10.158
  312   3HB   ALA  43          3HB       ALA  43  10.820   5.411 -10.750
  313    H    ILE  44           H        ILE  44   8.135   4.409  -8.185
  314    HA   ILE  44           HA       ILE  44   9.042   2.237  -6.349
  315    HB   ILE  44           HB       ILE  44   6.698   4.079  -5.793
  316   1HG1  ILE  44          2HG1      ILE  44   9.489   4.024  -4.603
  317   2HG1  ILE  44          1HG1      ILE  44   8.796   5.319  -5.579
  318   1HG2  ILE  44          1HG2      ILE  44   6.787   1.631  -4.917
  319   2HG2  ILE  44          2HG2      ILE  44   6.467   2.916  -3.753
  320   3HG2  ILE  44          3HG2      ILE  44   8.078   2.212  -3.866
  321   1HD1  ILE  44          1HD1      ILE  44   6.954   5.469  -3.811
  322   2HD1  ILE  44          2HD1      ILE  44   8.551   6.027  -3.315
  323   3HD1  ILE  44          3HD1      ILE  44   7.975   4.440  -2.806
  324    H    SER  45           H        SER  45   8.125   0.334  -6.948
  325    HA   SER  45           HA       SER  45   5.698   0.440  -8.699
  326   1HB   SER  45          2HB       SER  45   7.211  -0.698 -10.015
  327   2HB   SER  45          1HB       SER  45   8.122  -1.296  -8.633
  328    HG   SER  45           HG       SER  45   6.075  -2.439 -10.000
  329    H    CYS  46           H        CYS  46   3.852  -0.413  -7.876
  330    HA   CYS  46           HA       CYS  46   4.049  -2.457  -5.716
  331   1HB   CYS  46          2HB       CYS  46   2.721   0.232  -5.561
  332   2HB   CYS  46          1HB       CYS  46   2.002  -1.128  -4.699
  333    H    CYS  47           H        CYS  47   2.626  -4.092  -6.040
  334    HA   CYS  47           HA       CYS  47   0.346  -3.623  -7.927
  335   1HB   CYS  47          2HB       CYS  47   1.728  -6.289  -7.692
  336   2HB   CYS  47          1HB       CYS  47   0.763  -5.654  -9.025
  337    H    ASN  48           H        ASN  48  -1.569  -3.997  -6.937
  338    HA   ASN  48           HA       ASN  48  -1.595  -5.756  -4.513
  339   1HB   ASN  48          2HB       ASN  48  -3.815  -4.520  -4.092
  340   2HB   ASN  48          1HB       ASN  48  -2.334  -3.581  -3.897
  341   1HD2  ASN  48          1HD2      ASN  48  -5.352  -3.281  -5.175
  342   2HD2  ASN  48          2HD2      ASN  48  -5.027  -2.225  -6.463
  343    H    THR  49           H        THR  49  -3.045  -7.472  -4.437
  344    HA   THR  49           HA       THR  49  -4.834  -7.855  -6.808
  345    HB   THR  49           HB       THR  49  -4.174 -10.145  -7.009
  346    HG1  THR  49           1HG      THR  49  -2.234 -10.272  -5.157
  347   1HG2  THR  49          1HG2      THR  49  -2.580  -8.392  -7.895
  348   2HG2  THR  49          2HG2      THR  49  -1.842  -9.960  -7.570
  349   3HG2  THR  49          3HG2      THR  49  -1.617  -8.629  -6.436
  350    H    ALA  50           H        ALA  50  -4.939  -7.212  -3.694
  351    HA   ALA  50           HA       ALA  50  -6.760  -9.381  -2.837
  352   1HB   ALA  50          1HB       ALA  50  -5.355  -8.676  -1.074
  353   2HB   ALA  50          2HB       ALA  50  -6.882  -7.862  -0.737
  354   3HB   ALA  50          3HB       ALA  50  -5.553  -6.972  -1.480
  355    H    ALA  51           H        ALA  51  -8.881  -8.596  -1.766
  356    HA   ALA  51           HA       ALA  51 -10.543  -7.369  -3.695
  357   1HB   ALA  51          1HB       ALA  51 -10.939  -7.486  -0.688
  358   2HB   ALA  51          2HB       ALA  51 -11.421  -8.736  -1.836
  359   3HB   ALA  51          3HB       ALA  51 -12.202  -7.155  -1.873
  360    H    ILE  52           H        ILE  52 -11.514  -5.240  -3.724
  361    HA   ILE  52           HA       ILE  52  -9.771  -3.156  -2.478
  362    HB   ILE  52           HB       ILE  52 -11.637  -2.829  -4.839
  363   1HG1  ILE  52          2HG1      ILE  52  -9.971  -4.468  -5.477
  364   2HG1  ILE  52          1HG1      ILE  52  -9.514  -2.927  -6.199
  365   1HG2  ILE  52          1HG2      ILE  52 -10.347  -0.799  -5.234
  366   2HG2  ILE  52          2HG2      ILE  52  -9.272  -1.185  -3.892
  367   3HG2  ILE  52          3HG2      ILE  52 -10.961  -0.781  -3.581
  368   1HD1  ILE  52          1HD1      ILE  52  -8.282  -4.339  -3.841
  369   2HD1  ILE  52          2HD1      ILE  52  -8.094  -2.597  -4.037
  370   3HD1  ILE  52          3HD1      ILE  52  -7.492  -3.694  -5.278
  371    HA   PRO  53           HA       PRO  53 -13.354  -2.255   0.082
  372   1HB   PRO  53          2HB       PRO  53 -12.466   0.452   0.494
  373   2HB   PRO  53          1HB       PRO  53 -12.357  -0.916   1.605
  374   1HG   PRO  53          2HG       PRO  53 -10.233   0.347   0.140
  375   2HG   PRO  53          1HG       PRO  53 -10.123  -1.000   1.277
  376   1HD   PRO  53          2HD       PRO  53  -9.804  -1.087  -1.579
  377   2HD   PRO  53          1HD       PRO  53  -9.757  -2.453  -0.436
  378    H    THR  54           H        THR  54 -15.373  -1.621  -0.595
  379    HA   THR  54           HA       THR  54 -15.642   0.815  -2.270
  380    HB   THR  54           HB       THR  54 -16.401  -0.230  -4.145
  381    HG1  THR  54           1HG      THR  54 -17.594  -2.149  -2.431
  382   1HG2  THR  54          1HG2      THR  54 -15.504  -2.474  -4.509
  383   2HG2  THR  54          2HG2      THR  54 -15.293  -2.694  -2.772
  384   3HG2  THR  54          3HG2      THR  54 -14.328  -1.494  -3.634
  385    H    GLY  55           H        GLY  55 -18.325   0.695  -2.809
  386   1HA   GLY  55          2HA       GLY  55 -20.458   0.885  -1.840
  387   2HA   GLY  55          1HA       GLY  55 -19.907  -0.194  -0.558
  388    H    TYR  56           H        TYR  56 -17.557   1.889  -0.328
  389    HA   TYR  56           HA       TYR  56 -18.953   3.496   1.722
  390   1HB   TYR  56          2HB       TYR  56 -16.917   3.765   2.728
  391   2HB   TYR  56          1HB       TYR  56 -16.589   2.273   1.853
  392    HD1  TYR  56           1HD      TYR  56 -15.782   5.792   2.211
  393    HD2  TYR  56           2HD      TYR  56 -15.387   2.377  -0.363
  394    HE1  TYR  56           1HE      TYR  56 -13.941   6.923   0.998
  395    HE2  TYR  56           2HE      TYR  56 -13.546   3.509  -1.579
  396    HH   TYR  56           HH       TYR  56 -12.246   6.605  -0.479
  397    H    ASP  57           H        ASP  57 -19.164   5.739   1.617
  398    HA   ASP  57           HA       ASP  57 -19.224   6.955  -0.981
  399   1HB   ASP  57          2HB       ASP  57 -20.611   7.670   0.994
  400   2HB   ASP  57          1HB       ASP  57 -19.152   8.365   1.702
  401    H    THR  58           H        THR  58 -17.517   7.702  -2.133
  402    HA   THR  58           HA       THR  58 -14.880   7.933  -0.899
  403    HB   THR  58           HB       THR  58 -14.081   8.388  -3.122
  404    HG1  THR  58           1HG      THR  58 -16.776   9.057  -3.550
  405   1HG2  THR  58          1HG2      THR  58 -16.435   6.523  -3.472
  406   2HG2  THR  58          2HG2      THR  58 -14.977   6.070  -2.590
  407   3HG2  THR  58          3HG2      THR  58 -14.882   6.468  -4.305
  408    H    ASN  59           H        ASN  59 -15.225   9.651   0.638
  409    HA   ASN  59           HA       ASN  59 -16.060  12.288  -0.365
  410   1HB   ASN  59          2HB       ASN  59 -15.077  11.364   2.352
  411   2HB   ASN  59          1HB       ASN  59 -15.631  13.001   1.997
  412   1HD2  ASN  59          1HD2      ASN  59 -17.892  13.372   1.960
  413   2HD2  ASN  59          2HD2      ASN  59 -19.050  12.147   2.167
  414    H    LYS  60           H        LYS  60 -13.103  10.901   1.103
  415    HA   LYS  60           HA       LYS  60 -11.314  12.208  -0.684
  416   1HB   LYS  60          2HB       LYS  60 -10.392  13.862   1.091
  417   2HB   LYS  60          1HB       LYS  60 -11.859  14.324   0.228
  418   1HG   LYS  60          2HG       LYS  60 -13.253  13.754   2.065
  419   2HG   LYS  60          1HG       LYS  60 -11.966  12.847   2.861
  420   1HD   LYS  60          2HD       LYS  60 -10.767  14.834   3.411
  421   2HD   LYS  60          1HD       LYS  60 -11.755  15.815   2.327
  422   1HE   LYS  60          2HE       LYS  60 -12.971  14.331   4.659
  423   2HE   LYS  60          1HE       LYS  60 -12.297  15.949   4.844
  424   1HZ   LYS  60          1HZ       LYS  60 -14.337  15.247   2.810
  425   2HZ   LYS  60          2HZ       LYS  60 -13.802  16.801   3.244
  426   3HZ   LYS  60          3HZ       LYS  60 -14.719  15.878   4.338
  427    H    CYS  61           H        CYS  61 -10.861   9.803  -0.188
  428    HA   CYS  61           HA       CYS  61  -8.700   9.706   1.839
  429   1HB   CYS  61          2HB       CYS  61 -10.311   7.263   1.922
  430   2HB   CYS  61          1HB       CYS  61  -9.722   8.262   3.250
  431    H    GLN  62           H        GLN  62  -7.650   7.395   1.669
  432    HA   GLN  62           HA       GLN  62  -7.586   6.569  -1.211
  433   1HB   GLN  62          2HB       GLN  62  -5.612   7.970  -0.629
  434   2HB   GLN  62          1HB       GLN  62  -5.207   6.831   0.655
  435   1HG   GLN  62          2HG       GLN  62  -4.687   5.107  -0.863
  436   2HG   GLN  62          1HG       GLN  62  -5.568   5.879  -2.183
  437   1HE2  GLN  62          1HE2      GLN  62  -3.431   7.752  -0.079
  438   2HE2  GLN  62          2HE2      GLN  62  -2.233   8.034  -1.247
  439    H    LYS  63           H        LYS  63  -6.630   4.331  -1.453
  440    HA   LYS  63           HA       LYS  63  -7.465   2.624   0.861
  441   1HB   LYS  63          2HB       LYS  63  -7.114   1.617  -1.956
  442   2HB   LYS  63          1HB       LYS  63  -8.133   0.974  -0.667
  443   1HG   LYS  63          2HG       LYS  63  -9.550   3.018  -0.810
  444   2HG   LYS  63          1HG       LYS  63  -8.566   3.575  -2.165
  445   1HD   LYS  63          2HD       LYS  63  -9.123   1.282  -3.244
  446   2HD   LYS  63          1HD       LYS  63 -10.410   1.190  -2.040
  447   1HE   LYS  63          2HE       LYS  63 -11.186   3.464  -2.832
  448   2HE   LYS  63          1HE       LYS  63 -10.024   3.327  -4.151
  449   1HZ   LYS  63          1HZ       LYS  63 -12.297   2.576  -4.728
  450   2HZ   LYS  63          2HZ       LYS  63 -12.141   1.323  -3.590
  451   3HZ   LYS  63          3HZ       LYS  63 -11.114   1.379  -4.943
  452    H    ILE  64           H        ILE  64  -5.833   1.636   1.923
  453    HA   ILE  64           HA       ILE  64  -3.235   1.243   0.482
  454    HB   ILE  64           HB       ILE  64  -3.910   1.889   3.346
  455   1HG1  ILE  64          2HG1      ILE  64  -1.769   2.902   1.453
  456   2HG1  ILE  64          1HG1      ILE  64  -3.344   3.664   1.670
  457   1HG2  ILE  64          1HG2      ILE  64  -2.486  -0.016   3.637
  458   2HG2  ILE  64          2HG2      ILE  64  -1.446   1.393   3.821
  459   3HG2  ILE  64          3HG2      ILE  64  -1.435   0.482   2.312
  460   1HD1  ILE  64          1HD1      ILE  64  -1.287   3.228   3.856
  461   2HD1  ILE  64          2HD1      ILE  64  -2.861   3.994   4.065
  462   3HD1  ILE  64          3HD1      ILE  64  -1.630   4.766   3.065
  463    H    LEU  65           H        LEU  65  -2.056  -0.739   1.053
  464    HA   LEU  65           HA       LEU  65  -3.886  -2.957   1.872
  465   1HB   LEU  65          2HB       LEU  65  -3.006  -2.797  -0.583
  466   2HB   LEU  65          1HB       LEU  65  -1.475  -3.335   0.102
  467    HG   LEU  65           HG       LEU  65  -4.071  -4.801   0.610
  468   1HD1  LEU  65          1HD1      LEU  65  -3.095  -6.412  -1.161
  469   2HD1  LEU  65          2HD1      LEU  65  -2.119  -5.036  -1.677
  470   3HD1  LEU  65          3HD1      LEU  65  -3.879  -4.942  -1.740
  471   1HD2  LEU  65          1HD2      LEU  65  -2.302  -6.689   0.881
  472   2HD2  LEU  65          2HD2      LEU  65  -2.439  -5.496   2.170
  473   3HD2  LEU  65          3HD2      LEU  65  -1.131  -5.375   0.993
  474    H    ASN  66           H        ASN  66  -3.295  -3.748   3.825
  475    HA   ASN  66           HA       ASN  66  -0.625  -3.234   4.907
  476   1HB   ASN  66          2HB       ASN  66  -3.211  -4.249   5.908
  477   2HB   ASN  66          1HB       ASN  66  -1.810  -5.031   6.638
  478   1HD2  ASN  66          1HD2      ASN  66  -3.305  -1.825   6.082
  479   2HD2  ASN  66          2HD2      ASN  66  -2.497  -1.052   7.360
  480    H    LYS  67           H        LYS  67   0.935  -4.412   3.838
  481    HA   LYS  67           HA       LYS  67   0.538  -7.093   2.872
  482   1HB   LYS  67          2HB       LYS  67   3.096  -7.080   2.757
  483   2HB   LYS  67          1HB       LYS  67   2.274  -5.823   1.836
  484   1HG   LYS  67          2HG       LYS  67   2.883  -5.080   4.635
  485   2HG   LYS  67          1HG       LYS  67   4.304  -5.353   3.630
  486   1HD   LYS  67          2HD       LYS  67   3.621  -3.702   2.043
  487   2HD   LYS  67          1HD       LYS  67   2.007  -3.595   2.745
  488   1HE   LYS  67          2HE       LYS  67   4.561  -2.840   4.195
  489   2HE   LYS  67          1HE       LYS  67   3.476  -1.689   3.414
  490   1HZ   LYS  67          1HZ       LYS  67   2.157  -3.524   5.199
  491   2HZ   LYS  67          2HZ       LYS  67   2.006  -1.836   5.068
  492   3HZ   LYS  67          3HZ       LYS  67   3.277  -2.511   5.973
  493    H    LYS  68           H        LYS  68   0.691  -6.000   5.994
  494    HA   LYS  68           HA       LYS  68   2.439  -7.853   7.265
  495   1HB   LYS  68          2HB       LYS  68   1.053  -5.779   8.194
  496   2HB   LYS  68          1HB       LYS  68  -0.116  -7.033   8.603
  497   1HG   LYS  68          2HG       LYS  68   1.636  -8.267   9.832
  498   2HG   LYS  68          1HG       LYS  68   2.804  -7.010   9.426
  499   1HD   LYS  68          2HD       LYS  68   1.006  -5.408  10.517
  500   2HD   LYS  68          1HD       LYS  68   0.469  -6.889  11.312
  501   1HE   LYS  68          2HE       LYS  68   2.064  -5.980  12.805
  502   2HE   LYS  68          1HE       LYS  68   2.954  -7.229  11.935
  503   1HZ   LYS  68          1HZ       LYS  68   4.043  -5.668  10.641
  504   2HZ   LYS  68          2HZ       LYS  68   4.002  -4.919  12.166
  505   3HZ   LYS  68          3HZ       LYS  68   2.907  -4.448  10.954
  506    H    THR  69           H        THR  69  -1.100  -8.020   6.785
  507    HA   THR  69           HA       THR  69  -0.859 -11.003   6.792
  508    HB   THR  69           HB       THR  69  -3.219 -10.913   7.863
  509    HG1  THR  69           1HG      THR  69  -3.415  -8.987   9.178
  510   1HG2  THR  69          1HG2      THR  69  -2.195 -10.607  10.158
  511   2HG2  THR  69          2HG2      THR  69  -0.701 -10.133   9.351
  512   3HG2  THR  69          3HG2      THR  69  -1.350 -11.756   9.121
  513    H    CYS  70           H        CYS  70  -0.976  -9.047   4.581
  514    HA   CYS  70           HA       CYS  70  -2.153  -8.698   2.578
  515   1HB   CYS  70          2HB       CYS  70  -1.772 -11.080   2.299
  516   2HB   CYS  70          1HB       CYS  70  -3.141 -11.460   3.344
  517    H    THR  71           H        THR  71  -3.381  -6.992   3.779
  518    HA   THR  71           HA       THR  71  -6.285  -7.623   3.710
  519    HB   THR  71           HB       THR  71  -6.730  -6.859   5.882
  520    HG1  THR  71           1HG      THR  71  -5.732  -5.092   6.376
  521   1HG2  THR  71          1HG2      THR  71  -3.970  -8.066   6.187
  522   2HG2  THR  71          2HG2      THR  71  -5.417  -9.011   5.840
  523   3HG2  THR  71          3HG2      THR  71  -5.290  -8.117   7.355
  524    H    TYR  72           H        TYR  72  -7.536  -5.447   3.961
  525    HA   TYR  72           HA       TYR  72  -6.015  -3.336   2.477
  526   1HB   TYR  72          2HB       TYR  72  -8.494  -4.670   1.871
  527   2HB   TYR  72          1HB       TYR  72  -8.815  -2.955   2.128
  528    HD1  TYR  72           1HD      TYR  72  -7.506  -1.239   0.822
  529    HD2  TYR  72           2HD      TYR  72  -7.323  -5.438  -0.059
  530    HE1  TYR  72           1HE      TYR  72  -6.555  -0.729  -1.411
  531    HE2  TYR  72           2HE      TYR  72  -6.374  -4.928  -2.292
  532    HH   TYR  72           HH       TYR  72  -5.195  -3.164  -3.428
  533    H    THR  73           H        THR  73  -6.527  -1.137   2.991
  534    HA   THR  73           HA       THR  73  -8.191  -0.617   5.374
  535    HB   THR  73           HB       THR  73  -6.273  -0.861   6.650
  536    HG1  THR  73           1HG      THR  73  -5.763   1.699   5.556
  537   1HG2  THR  73          1HG2      THR  73  -3.984  -0.186   5.692
  538   2HG2  THR  73          2HG2      THR  73  -4.798  -0.095   4.131
  539   3HG2  THR  73          3HG2      THR  73  -4.742  -1.624   5.008
  540    H    VAL  74           H        VAL  74  -8.211   1.862   5.761
  541    HA   VAL  74           HA       VAL  74  -7.798   3.334   3.189
  542    HB   VAL  74           HB       VAL  74 -10.194   3.874   4.933
  543   1HG1  VAL  74          1HG1      VAL  74  -9.808   4.087   1.936
  544   2HG1  VAL  74          2HG1      VAL  74  -9.435   5.402   3.049
  545   3HG1  VAL  74          3HG1      VAL  74 -11.090   4.809   2.907
  546   1HG2  VAL  74          1HG2      VAL  74  -9.895   1.720   2.824
  547   2HG2  VAL  74          2HG2      VAL  74 -11.459   2.349   3.341
  548   3HG2  VAL  74          3HG2      VAL  74 -10.417   1.519   4.496
  549    H    VAL  75           H        VAL  75  -6.835   5.293   3.465
  550    HA   VAL  75           HA       VAL  75  -6.695   6.406   6.245
  551    HB   VAL  75           HB       VAL  75  -4.416   7.272   5.554
  552   1HG1  VAL  75          1HG1      VAL  75  -4.792   5.224   6.965
  553   2HG1  VAL  75          2HG1      VAL  75  -3.298   5.174   6.030
  554   3HG1  VAL  75          3HG1      VAL  75  -4.706   4.256   5.494
  555   1HG2  VAL  75          1HG2      VAL  75  -3.337   6.278   3.630
  556   2HG2  VAL  75          2HG2      VAL  75  -4.868   6.966   3.089
  557   3HG2  VAL  75          3HG2      VAL  75  -4.722   5.226   3.338
  558    H    GLU  76           H        GLU  76  -6.025   8.828   6.107
  559    HA   GLU  76           HA       GLU  76  -7.636  10.089   3.920
  560   1HB   GLU  76          2HB       GLU  76  -6.935  11.146   6.676
  561   2HB   GLU  76          1HB       GLU  76  -7.937  11.971   5.482
  562   1HG   GLU  76          2HG       GLU  76  -9.567  10.142   5.545
  563   2HG   GLU  76          1HG       GLU  76  -8.552   9.256   6.685
  564    H    LYS  77           H        LYS  77  -6.698  11.700   2.679
  565    HA   LYS  77           HA       LYS  77  -3.814  11.831   2.579
  566   1HB   LYS  77          2HB       LYS  77  -6.014  13.406   1.229
  567   2HB   LYS  77          1HB       LYS  77  -4.310  13.761   0.955
  568   1HG   LYS  77          2HG       LYS  77  -5.396  10.961   0.635
  569   2HG   LYS  77          1HG       LYS  77  -5.474  12.128  -0.685
  570   1HD   LYS  77          2HD       LYS  77  -2.919  12.468  -0.199
  571   2HD   LYS  77          1HD       LYS  77  -3.047  10.910   0.617
  572   1HE   LYS  77          2HE       LYS  77  -2.415  10.457  -1.658
  573   2HE   LYS  77          1HE       LYS  77  -4.113  10.005  -1.497
  574   1HZ   LYS  77          1HZ       LYS  77  -4.669  12.258  -2.344
  575   2HZ   LYS  77          2HZ       LYS  77  -3.873  11.273  -3.476
  576   3HZ   LYS  77          3HZ       LYS  77  -3.022  12.503  -2.669
  577    H    LYS  78           H        LYS  78  -6.092  13.383   4.558
  578    HA   LYS  78           HA       LYS  78  -4.175  15.619   5.119
  579   1HB   LYS  78          2HB       LYS  78  -6.670  16.024   4.345
  580   2HB   LYS  78          1HB       LYS  78  -7.037  15.663   6.031
  581   1HG   LYS  78          2HG       LYS  78  -5.240  17.389   6.635
  582   2HG   LYS  78          1HG       LYS  78  -5.292  17.877   4.940
  583   1HD   LYS  78          2HD       LYS  78  -7.860  18.054   5.289
  584   2HD   LYS  78          1HD       LYS  78  -7.477  18.047   7.011
  585   1HE   LYS  78          2HE       LYS  78  -6.746  20.085   4.923
  586   2HE   LYS  78          1HE       LYS  78  -7.465  20.336   6.514
  587   1HZ   LYS  78          1HZ       LYS  78  -4.662  19.745   5.821
  588   2HZ   LYS  78          2HZ       LYS  78  -5.262  19.359   7.363
  589   3HZ   LYS  78          3HZ       LYS  78  -5.281  20.968   6.820
  590    H    ASP  79           H        ASP  79  -5.080  12.662   6.262
  591    HA   ASP  79           HA       ASP  79  -3.998  13.223   8.914
  592   1HB   ASP  79          2HB       ASP  79  -6.469  13.880   8.992
  593   2HB   ASP  79          1HB       ASP  79  -6.821  12.164   8.782
  594    HA   PRO  80           HA       PRO  80  -3.395   8.939   7.165
  595   1HB   PRO  80          2HB       PRO  80  -0.695   9.082   8.161
  596   2HB   PRO  80          1HB       PRO  80  -1.241   9.053   6.482
  597   1HG   PRO  80          2HG       PRO  80  -0.103  11.253   7.884
  598   2HG   PRO  80          1HG       PRO  80  -0.768  11.253   6.249
  599   1HD   PRO  80          2HD       PRO  80  -1.903  12.417   8.670
  600   2HD   PRO  80          1HD       PRO  80  -2.473  12.577   6.990
  601    H    GLY  81           H        GLY  81  -3.917  10.218  10.073
  602   1HA   GLY  81          2HA       GLY  81  -2.977   7.850  11.638
  603   2HA   GLY  81          1HA       GLY  81  -3.424   9.407  12.336
  604    H    LYS  82           H        LYS  82  -5.795   9.454  10.401
  605    HA   LYS  82           HA       LYS  82  -7.547   7.629  12.009
  606   1HB   LYS  82          2HB       LYS  82  -8.224  10.241  10.619
  607   2HB   LYS  82          1HB       LYS  82  -9.363   9.241  11.519
  608   1HG   LYS  82          2HG       LYS  82  -6.829  10.128  12.867
  609   2HG   LYS  82          1HG       LYS  82  -8.159  11.274  12.708
  610   1HD   LYS  82          2HD       LYS  82  -9.677   9.690  13.823
  611   2HD   LYS  82          1HD       LYS  82  -8.364   8.522  13.966
  612   1HE   LYS  82          2HE       LYS  82  -7.074  10.289  15.252
  613   2HE   LYS  82          1HE       LYS  82  -8.560  11.237  15.287
  614   1HZ   LYS  82          1HZ       LYS  82  -7.839   9.258  17.043
  615   2HZ   LYS  82          2HZ       LYS  82  -9.023   8.537  16.058
  616   3HZ   LYS  82          3HZ       LYS  82  -9.372   9.971  16.900
  617    H    THR  83           H        THR  83  -8.980   6.294  10.897
  618    HA   THR  83           HA       THR  83  -8.430   5.956   8.015
  619    HB   THR  83           HB       THR  83  -9.773   3.895   8.248
  620    HG1  THR  83           1HG      THR  83 -11.097   4.953   9.960
  621   1HG2  THR  83          1HG2      THR  83  -7.907   4.095  10.613
  622   2HG2  THR  83          2HG2      THR  83  -7.311   4.075   8.953
  623   3HG2  THR  83          3HG2      THR  83  -8.216   2.698   9.582
  624    H    CYS  84           H        CYS  84 -10.156   5.928   6.438
  625    HA   CYS  84           HA       CYS  84 -12.178   7.975   6.956
  626   1HB   CYS  84          2HB       CYS  84 -10.891   6.894   4.672
  627   2HB   CYS  84          1HB       CYS  84 -12.607   6.547   4.476
  628    H    ASP  85           H        ASP  85 -14.454   7.235   5.786
  629    HA   ASP  85           HA       ASP  85 -15.450   5.101   7.565
  630   1HB   ASP  85          2HB       ASP  85 -16.622   7.355   7.167
  631   2HB   ASP  85          1HB       ASP  85 -17.077   6.709   5.590
  632    H    VAL  86           H        VAL  86 -15.508   3.039   6.843
  633    HA   VAL  86           HA       VAL  86 -15.584   2.554   3.900
  634    HB   VAL  86           HB       VAL  86 -13.701   1.506   4.923
  635   1HG1  VAL  86          1HG1      VAL  86 -14.309   1.606   7.246
  636   2HG1  VAL  86          2HG1      VAL  86 -14.041  -0.093   6.856
  637   3HG1  VAL  86          3HG1      VAL  86 -15.685   0.533   6.988
  638   1HG2  VAL  86          1HG2      VAL  86 -15.740  -0.718   4.817
  639   2HG2  VAL  86          2HG2      VAL  86 -14.037  -0.779   4.370
  640   3HG2  VAL  86          3HG2      VAL  86 -15.180   0.103   3.358
  641    H    THR  87           H        THR  87 -16.781   0.469   3.332
  642    HA   THR  87           HA       THR  87 -19.252   0.152   4.986
  643    HB   THR  87           HB       THR  87 -19.100   0.487   1.976
  644    HG1  THR  87           1HG      THR  87 -20.403   1.981   4.004
  645   1HG2  THR  87          1HG2      THR  87 -21.356  -0.322   3.817
  646   2HG2  THR  87          2HG2      THR  87 -20.748  -1.187   2.405
  647   3HG2  THR  87          3HG2      THR  87 -21.635   0.324   2.200
  648    H    GLY  88           H        GLY  88 -17.144  -1.200   2.467
  649   1HA   GLY  88          2HA       GLY  88 -17.157  -3.813   3.610
  650   2HA   GLY  88          1HA       GLY  88 -18.346  -3.769   2.308
  651    H    TRP  89           H        TRP  89 -17.074  -5.227   1.032
  652    HA   TRP  89           HA       TRP  89 -14.924  -3.862  -0.473
  653   1HB   TRP  89          2HB       TRP  89 -14.353  -6.664   0.436
  654   2HB   TRP  89          1HB       TRP  89 -13.226  -5.380  -0.002
  655    HD1  TRP  89           HD       TRP  89 -12.580  -3.612   1.841
  656    HE1  TRP  89           1HE      TRP  89 -12.876  -3.572   4.402
  657    HE3  TRP  89           3HE      TRP  89 -15.955  -7.405   2.400
  658    HZ2  TRP  89           2HZ      TRP  89 -14.349  -4.964   6.420
  659    HZ3  TRP  89           3HZ      TRP  89 -16.787  -8.026   4.650
  660    HH2  TRP  89           HH       TRP  89 -15.988  -6.812   6.658
  661    H    VAL  90           H        VAL  90 -14.313  -5.243  -2.433
  662    HA   VAL  90           HA       VAL  90 -16.520  -7.086  -3.237
  663    HB   VAL  90           HB       VAL  90 -15.457  -4.765  -4.868
  664   1HG1  VAL  90          1HG1      VAL  90 -15.839  -6.556  -6.392
  665   2HG1  VAL  90          2HG1      VAL  90 -17.296  -5.565  -6.464
  666   3HG1  VAL  90          3HG1      VAL  90 -17.296  -7.067  -5.539
  667   1HG2  VAL  90          1HG2      VAL  90 -17.101  -4.130  -3.139
  668   2HG2  VAL  90          2HG2      VAL  90 -18.209  -5.365  -3.736
  669   3HG2  VAL  90          3HG2      VAL  90 -17.800  -3.981  -4.751
  670    H    LEU  91           H        LEU  91 -15.893  -8.436  -5.130
  671    HA   LEU  91           HA       LEU  91 -12.989  -8.556  -5.706
  672   1HB   LEU  91          2HB       LEU  91 -13.475 -10.018  -3.682
  673   2HB   LEU  91          1HB       LEU  91 -14.489 -11.003  -4.736
  674    HG   LEU  91           HG       LEU  91 -12.344 -11.025  -6.282
  675   1HD1  LEU  91          1HD1      LEU  91 -11.209 -10.456  -3.526
  676   2HD1  LEU  91          2HD1      LEU  91 -11.016  -9.457  -4.966
  677   3HD1  LEU  91          3HD1      LEU  91 -10.267 -11.051  -4.892
  678   1HD2  LEU  91          1HD2      LEU  91 -11.534 -13.050  -4.998
  679   2HD2  LEU  91          2HD2      LEU  91 -13.265 -13.048  -5.341
  680   3HD2  LEU  91          3HD2      LEU  91 -12.685 -12.625  -3.730
  Start of MODEL   11
    1   1H    GLN   1          1HT       GLN   1  -3.040  -7.703 -13.363
    2   2H    GLN   1          2HT       GLN   1  -2.819  -7.556 -11.684
    3   3H    GLN   1          3HT       GLN   1  -1.477  -7.540 -12.726
    4    HA   GLN   1           HA       GLN   1  -2.355  -5.474 -13.748
    5   1HB   GLN   1          2HB       GLN   1  -4.710  -6.000 -12.840
    6   2HB   GLN   1          1HB       GLN   1  -4.127  -5.367 -11.302
    7   1HG   GLN   1          2HG       GLN   1  -5.104  -3.491 -12.373
    8   2HG   GLN   1          1HG       GLN   1  -3.373  -3.298 -12.649
    9   1HE2  GLN   1          1HE2      GLN   1  -6.445  -3.735 -14.218
   10   2HE2  GLN   1          2HE2      GLN   1  -5.854  -3.828 -15.807
   11    H    CYS   2           H        CYS   2  -1.399  -3.518 -12.948
   12    HA   CYS   2           HA       CYS   2  -0.496  -3.270 -10.205
   13   1HB   CYS   2          2HB       CYS   2   1.079  -5.016 -11.160
   14   2HB   CYS   2          1HB       CYS   2   1.660  -3.776 -12.272
   15    H    TYR   3           H        TYR   3   1.107  -1.332 -10.079
   16    HA   TYR   3           HA       TYR   3   0.887   0.521 -12.374
   17   1HB   TYR   3          2HB       TYR   3   0.063   2.310 -10.655
   18   2HB   TYR   3          1HB       TYR   3  -1.113   1.189 -11.340
   19    HD1  TYR   3           1HD      TYR   3  -2.111  -0.572 -10.009
   20    HD2  TYR   3           2HD      TYR   3   0.892   2.011  -8.347
   21    HE1  TYR   3           1HE      TYR   3  -2.658  -1.399  -7.736
   22    HE2  TYR   3           2HE      TYR   3   0.343   1.186  -6.074
   23    HH   TYR   3           HH       TYR   3  -1.068  -1.473  -5.377
   24    H    PHE   4           H        PHE   4   2.271   2.439 -12.067
   25    HA   PHE   4           HA       PHE   4   4.516   1.878 -10.165
   26   1HB   PHE   4          2HB       PHE   4   4.406   2.646 -12.986
   27   2HB   PHE   4          1HB       PHE   4   5.415   3.747 -12.048
   28    HD1  PHE   4           1HD      PHE   4   7.651   3.165 -11.718
   29    HD2  PHE   4           2HD      PHE   4   4.752   0.065 -12.382
   30    HE1  PHE   4           1HE      PHE   4   9.458   1.468 -11.678
   31    HE2  PHE   4           2HE      PHE   4   6.560  -1.632 -12.341
   32    HZ   PHE   4           HZ       PHE   4   8.912  -0.932 -11.990
   33    H    ILE   5           H        ILE   5   4.795   3.321  -8.548
   34    HA   ILE   5           HA       ILE   5   3.401   5.953  -8.750
   35    HB   ILE   5           HB       ILE   5   4.390   4.588  -6.243
   36   1HG1  ILE   5          2HG1      ILE   5   2.750   3.116  -7.262
   37   2HG1  ILE   5          1HG1      ILE   5   1.974   3.961  -5.924
   38   1HG2  ILE   5          1HG2      ILE   5   2.908   6.147  -5.120
   39   2HG2  ILE   5          2HG2      ILE   5   2.293   6.737  -6.663
   40   3HG2  ILE   5          3HG2      ILE   5   3.963   7.062  -6.196
   41   1HD1  ILE   5          1HD1      ILE   5   1.292   5.703  -7.765
   42   2HD1  ILE   5          2HD1      ILE   5   0.392   4.195  -7.633
   43   3HD1  ILE   5          3HD1      ILE   5   1.621   4.378  -8.882
   44    HA   PRO   6           HA       PRO   6   7.677   7.409  -9.152
   45   1HB   PRO   6          2HB       PRO   6   6.756  10.116  -8.807
   46   2HB   PRO   6          1HB       PRO   6   7.271   9.315 -10.294
   47   1HG   PRO   6          2HG       PRO   6   4.610  10.053  -9.521
   48   2HG   PRO   6          1HG       PRO   6   5.128   9.257 -11.009
   49   1HD   PRO   6          2HD       PRO   6   3.666   8.108  -8.810
   50   2HD   PRO   6          1HD       PRO   6   4.205   7.300 -10.303
   51    H    ASN   7           H        ASN   7   9.217   8.582  -7.761
   52    HA   ASN   7           HA       ASN   7   9.089   8.010  -5.039
   53   1HB   ASN   7          2HB       ASN   7  11.077   8.904  -6.398
   54   2HB   ASN   7          1HB       ASN   7  10.427  10.512  -6.081
   55   1HD2  ASN   7          1HD2      ASN   7  11.412   7.520  -4.328
   56   2HD2  ASN   7          2HD2      ASN   7  11.935   8.333  -2.933
   57    H    GLN   8           H        GLN   8   8.468   9.207  -3.175
   58    HA   GLN   8           HA       GLN   8   6.924  11.712  -3.627
   59   1HB   GLN   8          2HB       GLN   8   5.901   9.134  -2.457
   60   2HB   GLN   8          1HB       GLN   8   5.223  10.674  -1.928
   61   1HG   GLN   8          2HG       GLN   8   4.374  11.180  -4.054
   62   2HG   GLN   8          1HG       GLN   8   5.479  10.071  -4.867
   63   1HE2  GLN   8          1HE2      GLN   8   5.141   7.650  -3.815
   64   2HE2  GLN   8          2HE2      GLN   8   3.518   7.154  -3.800
   65    H    SER   9           H        SER   9   9.367  10.252  -2.032
   66    HA   SER   9           HA       SER   9   8.823  11.212   0.678
   67   1HB   SER   9          2HB       SER   9  10.874  10.244   1.266
   68   2HB   SER   9          1HB       SER   9  10.358   9.231  -0.079
   69    HG   SER   9           HG       SER   9  12.551  10.715   0.139
   70    H    LEU  10           H        LEU  10  10.826  12.588   1.617
   71    HA   LEU  10           HA       LEU  10  10.727  15.124   0.143
   72   1HB   LEU  10          2HB       LEU  10  12.306  15.741   2.202
   73   2HB   LEU  10          1HB       LEU  10  10.562  15.581   2.407
   74    HG   LEU  10           HG       LEU  10  12.190  13.090   2.669
   75   1HD1  LEU  10          1HD1      LEU  10  13.538  14.669   3.957
   76   2HD1  LEU  10          2HD1      LEU  10  12.650  13.620   5.061
   77   3HD1  LEU  10          3HD1      LEU  10  12.096  15.269   4.776
   78   1HD2  LEU  10          1HD2      LEU  10  10.489  12.555   4.314
   79   2HD2  LEU  10          2HD2      LEU  10   9.679  13.206   2.890
   80   3HD2  LEU  10          3HD2      LEU  10   9.905  14.219   4.315
   81    H    LYS  11           H        LYS  11  12.973  12.507   0.648
   82    HA   LYS  11           HA       LYS  11  14.827  13.796  -1.259
   83   1HB   LYS  11          2HB       LYS  11  16.493  12.637   0.750
   84   2HB   LYS  11          1HB       LYS  11  16.378  14.336   0.296
   85   1HG   LYS  11          2HG       LYS  11  14.618  14.724   1.896
   86   2HG   LYS  11          1HG       LYS  11  14.472  13.001   2.236
   87   1HD   LYS  11          2HD       LYS  11  17.183  14.165   2.616
   88   2HD   LYS  11          1HD       LYS  11  15.951  14.691   3.763
   89   1HE   LYS  11          2HE       LYS  11  17.229  12.618   4.462
   90   2HE   LYS  11          1HE       LYS  11  15.478  12.425   4.419
   91   1HZ   LYS  11          1HZ       LYS  11  17.296  11.678   2.195
   92   2HZ   LYS  11          2HZ       LYS  11  15.628  11.370   2.298
   93   3HZ   LYS  11          3HZ       LYS  11  16.707  10.587   3.351
   94    HA   PRO  12           HA       PRO  12  15.326   9.726  -2.864
   95   1HB   PRO  12          2HB       PRO  12  18.204   9.637  -2.772
   96   2HB   PRO  12          1HB       PRO  12  17.164   9.972  -4.158
   97   1HG   PRO  12          2HG       PRO  12  18.796  11.820  -2.663
   98   2HG   PRO  12          1HG       PRO  12  17.825  12.134  -4.105
   99   1HD   PRO  12          2HD       PRO  12  17.292  13.021  -1.437
  100   2HD   PRO  12          1HD       PRO  12  16.243  13.205  -2.864
  101    H    ASN  13           H        ASN  13  16.783   7.598  -2.425
  102    HA   ASN  13           HA       ASN  13  17.164   5.851  -0.914
  103   1HB   ASN  13          2HB       ASN  13  18.225   8.184   0.706
  104   2HB   ASN  13          1HB       ASN  13  18.480   6.488   1.117
  105   1HD2  ASN  13          1HD2      ASN  13  19.298   5.186  -1.018
  106   2HD2  ASN  13          2HD2      ASN  13  20.577   5.945  -1.836
  107    H    GLU  14           H        GLU  14  14.527   6.841  -0.900
  108    HA   GLU  14           HA       GLU  14  13.769   6.183   1.891
  109   1HB   GLU  14          2HB       GLU  14  13.009   8.697   0.405
  110   2HB   GLU  14          1HB       GLU  14  11.992   8.051   1.696
  111   1HG   GLU  14          2HG       GLU  14  13.855   8.153   3.263
  112   2HG   GLU  14          1HG       GLU  14  14.936   8.698   1.982
  113    H    CYS  15           H        CYS  15  11.272   5.943   1.966
  114    HA   CYS  15           HA       CYS  15  10.094   5.082  -0.608
  115   1HB   CYS  15          2HB       CYS  15  10.655   3.226   1.717
  116   2HB   CYS  15          1HB       CYS  15   9.408   2.878   0.519
  117    H    GLN  16           H        GLN  16   8.989   7.140   0.256
  118    HA   GLN  16           HA       GLN  16   7.004   6.554   2.393
  119   1HB   GLN  16          2HB       GLN  16   8.172   8.645   2.685
  120   2HB   GLN  16          1HB       GLN  16   7.855   9.115   1.016
  121   1HG   GLN  16          2HG       GLN  16   5.502   9.352   1.438
  122   2HG   GLN  16          1HG       GLN  16   5.652   8.599   3.024
  123   1HE2  GLN  16          1HE2      GLN  16   5.201  11.565   1.692
  124   2HE2  GLN  16          2HE2      GLN  16   5.992  12.534   2.839
  125    H    ASP  17           H        ASP  17   5.359   5.386   1.407
  126    HA   ASP  17           HA       ASP  17   4.374   6.112  -1.250
  127   1HB   ASP  17          2HB       ASP  17   2.956   4.323   0.726
  128   2HB   ASP  17          1HB       ASP  17   2.902   4.270  -1.037
  129    H    LEU  18           H        LEU  18   3.479   8.154  -1.222
  130    HA   LEU  18           HA       LEU  18   1.990   9.880  -0.666
  131   1HB   LEU  18          2HB       LEU  18   0.322   7.438   0.009
  132   2HB   LEU  18          1HB       LEU  18  -0.316   9.080  -0.066
  133    HG   LEU  18           HG       LEU  18   0.635   9.203  -2.435
  134   1HD1  LEU  18          1HD1      LEU  18   2.140   7.434  -2.652
  135   2HD1  LEU  18          2HD1      LEU  18   0.706   6.762  -3.424
  136   3HD1  LEU  18          3HD1      LEU  18   1.108   6.308  -1.769
  137   1HD2  LEU  18          1HD2      LEU  18  -1.511   7.122  -1.913
  138   2HD2  LEU  18          2HD2      LEU  18  -1.299   8.055  -3.393
  139   3HD2  LEU  18          3HD2      LEU  18  -1.778   8.865  -1.903
  140    H    LYS  19           H        LYS  19   0.026   8.731   1.703
  141    HA   LYS  19           HA       LYS  19   1.825   9.796   3.853
  142   1HB   LYS  19          2HB       LYS  19  -1.000  10.281   3.150
  143   2HB   LYS  19          1HB       LYS  19  -0.743   9.954   4.862
  144   1HG   LYS  19          2HG       LYS  19  -0.535  12.340   4.521
  145   2HG   LYS  19          1HG       LYS  19   1.074  11.699   4.852
  146   1HD   LYS  19          2HD       LYS  19   1.475  11.580   2.380
  147   2HD   LYS  19          1HD       LYS  19  -0.079  12.376   2.131
  148   1HE   LYS  19          2HE       LYS  19   2.064  13.573   3.893
  149   2HE   LYS  19          1HE       LYS  19   1.997  13.888   2.159
  150   1HZ   LYS  19          1HZ       LYS  19  -0.092  14.890   2.354
  151   2HZ   LYS  19          2HZ       LYS  19   0.798  15.510   3.661
  152   3HZ   LYS  19          3HZ       LYS  19  -0.350  14.283   3.916
  153    H    GLY  20           H        GLY  20   0.441   6.983   2.691
  154   1HA   GLY  20          2HA       GLY  20  -0.344   5.755   5.196
  155   2HA   GLY  20          1HA       GLY  20  -0.064   4.903   3.677
  156    H    VAL  21           H        VAL  21   2.496   5.212   3.073
  157    HA   VAL  21           HA       VAL  21   3.905   3.993   5.393
  158    HB   VAL  21           HB       VAL  21   4.646   4.097   2.458
  159   1HG1  VAL  21          1HG1      VAL  21   5.918   2.784   4.867
  160   2HG1  VAL  21          2HG1      VAL  21   6.664   3.900   3.724
  161   3HG1  VAL  21          3HG1      VAL  21   6.254   2.260   3.217
  162   1HG2  VAL  21          1HG2      VAL  21   3.394   1.975   4.219
  163   2HG2  VAL  21          2HG2      VAL  21   4.129   1.608   2.659
  164   3HG2  VAL  21          3HG2      VAL  21   2.729   2.678   2.745
  165    H    SER  22           H        SER  22   6.170   4.659   5.790
  166    HA   SER  22           HA       SER  22   7.238   7.084   4.644
  167   1HB   SER  22          2HB       SER  22   5.308   7.916   6.113
  168   2HB   SER  22          1HB       SER  22   6.257   7.368   7.492
  169    HG   SER  22           HG       SER  22   7.045   9.235   5.498
  170    H    HIS  23           H        HIS  23   8.975   5.422   4.595
  171    HA   HIS  23           HA       HIS  23  10.613   5.585   7.048
  172   1HB   HIS  23          2HB       HIS  23   9.372   3.079   5.984
  173   2HB   HIS  23          1HB       HIS  23  11.021   2.969   6.594
  174    HD1  HIS  23           1HD      HIS  23   7.776   2.443   7.777
  175    HD2  HIS  23           2HD      HIS  23  11.001   4.591   9.311
  176    HE1  HIS  23           1HE      HIS  23   7.345   2.708  10.258
  177    HA   PRO  24           HA       PRO  24  13.943   6.025   4.188
  178   1HB   PRO  24          2HB       PRO  24  15.662   4.070   5.425
  179   2HB   PRO  24          1HB       PRO  24  15.726   5.830   5.566
  180   1HG   PRO  24          2HG       PRO  24  14.795   3.895   7.513
  181   2HG   PRO  24          1HG       PRO  24  15.026   5.635   7.709
  182   1HD   PRO  24          2HD       PRO  24  12.544   4.271   7.603
  183   2HD   PRO  24          1HD       PRO  24  12.784   6.032   7.507
  184    H    LEU  25           H        LEU  25  15.441   4.634   2.716
  185    HA   LEU  25           HA       LEU  25  13.954   2.929   1.086
  186   1HB   LEU  25          2HB       LEU  25  16.385   3.926   0.822
  187   2HB   LEU  25          1HB       LEU  25  16.883   2.365   1.474
  188    HG   LEU  25           HG       LEU  25  15.122   2.786  -0.962
  189   1HD1  LEU  25          1HD1      LEU  25  17.951   1.715  -0.736
  190   2HD1  LEU  25          2HD1      LEU  25  17.539   3.343  -1.273
  191   3HD1  LEU  25          3HD1      LEU  25  17.032   1.947  -2.224
  192   1HD2  LEU  25          1HD2      LEU  25  15.655   0.251  -1.178
  193   2HD2  LEU  25          2HD2      LEU  25  14.429   0.737  -0.009
  194   3HD2  LEU  25          3HD2      LEU  25  16.057   0.337   0.537
  195    H    ASN  26           H        ASN  26  12.725   1.455   2.363
  196    HA   ASN  26           HA       ASN  26  13.847  -0.305   4.310
  197   1HB   ASN  26          2HB       ASN  26  11.350  -0.490   2.613
  198   2HB   ASN  26          1HB       ASN  26  11.752  -1.673   3.858
  199   1HD2  ASN  26          1HD2      ASN  26  11.352   1.888   3.449
  200   2HD2  ASN  26          2HD2      ASN  26  10.757   2.147   5.018
  201    H    SER  27           H        SER  27  12.343  -1.678   1.427
  202    HA   SER  27           HA       SER  27  14.701  -2.694   0.189
  203   1HB   SER  27          2HB       SER  27  13.757  -4.159   2.550
  204   2HB   SER  27          1HB       SER  27  13.873  -5.177   1.118
  205    HG   SER  27           HG       SER  27  15.904  -5.206   1.754
  206    H    VAL  28           H        VAL  28  13.827  -5.084  -0.859
  207    HA   VAL  28           HA       VAL  28  11.283  -4.290  -2.212
  208    HB   VAL  28           HB       VAL  28  12.196  -6.008  -3.941
  209   1HG1  VAL  28          1HG1      VAL  28  12.123  -3.491  -4.184
  210   2HG1  VAL  28          2HG1      VAL  28  13.435  -4.269  -5.068
  211   3HG1  VAL  28          3HG1      VAL  28  13.765  -3.448  -3.542
  212   1HG2  VAL  28          1HG2      VAL  28  14.793  -5.281  -2.572
  213   2HG2  VAL  28          2HG2      VAL  28  14.553  -6.425  -3.894
  214   3HG2  VAL  28          3HG2      VAL  28  13.959  -6.806  -2.278
  215    H    TRP  29           H        TRP  29   9.579  -5.746  -2.206
  216    HA   TRP  29           HA       TRP  29  10.039  -8.513  -1.254
  217   1HB   TRP  29          2HB       TRP  29   8.136  -8.255   0.392
  218   2HB   TRP  29          1HB       TRP  29   9.602  -7.379   0.832
  219    HD1  TRP  29           HD       TRP  29   6.081  -6.827  -0.552
  220    HE1  TRP  29           1HE      TRP  29   5.460  -4.342  -0.266
  221    HE3  TRP  29           3HE      TRP  29  10.548  -4.985   1.104
  222    HZ2  TRP  29           2HZ      TRP  29   6.696  -1.891   0.552
  223    HZ3  TRP  29           3HZ      TRP  29  10.797  -2.576   1.629
  224    HH2  TRP  29           HH       TRP  29   8.878  -1.029   1.357
  225    H    LYS  30           H        LYS  30   8.748  -9.898  -2.390
  226    HA   LYS  30           HA       LYS  30   6.351  -8.754  -3.772
  227   1HB   LYS  30          2HB       LYS  30   6.891 -10.519  -5.568
  228   2HB   LYS  30          1HB       LYS  30   7.915  -9.085  -5.517
  229   1HG   LYS  30          2HG       LYS  30   8.847 -11.268  -3.760
  230   2HG   LYS  30          1HG       LYS  30   8.846 -11.685  -5.473
  231   1HD   LYS  30          2HD       LYS  30  10.156  -9.659  -5.978
  232   2HD   LYS  30          1HD       LYS  30  10.153  -9.227  -4.267
  233   1HE   LYS  30          2HE       LYS  30  11.364 -11.283  -3.716
  234   2HE   LYS  30          1HE       LYS  30  11.317 -11.786  -5.406
  235   1HZ   LYS  30          1HZ       LYS  30  12.542  -9.237  -4.525
  236   2HZ   LYS  30          2HZ       LYS  30  12.701 -10.007  -6.030
  237   3HZ   LYS  30          3HZ       LYS  30  13.423 -10.681  -4.648
  238    H    THR  31           H        THR  31   4.605  -9.657  -2.769
  239    HA   THR  31           HA       THR  31   4.789 -12.525  -1.939
  240    HB   THR  31           HB       THR  31   3.246 -12.079  -0.250
  241    HG1  THR  31           1HG      THR  31   1.529 -11.038  -0.781
  242   1HG2  THR  31          1HG2      THR  31   3.939 -10.042   0.865
  243   2HG2  THR  31          2HG2      THR  31   4.505  -9.356  -0.659
  244   3HG2  THR  31          3HG2      THR  31   5.342 -10.736   0.051
  245    H    LYS  32           H        LYS  32   4.224 -13.564  -3.868
  246    HA   LYS  32           HA       LYS  32   2.084 -12.658  -5.583
  247   1HB   LYS  32          2HB       LYS  32   3.610 -15.251  -5.323
  248   2HB   LYS  32          1HB       LYS  32   2.268 -15.088  -6.456
  249   1HG   LYS  32          2HG       LYS  32   3.367 -13.335  -7.654
  250   2HG   LYS  32          1HG       LYS  32   4.590 -13.149  -6.397
  251   1HD   LYS  32          2HD       LYS  32   5.602 -15.240  -6.930
  252   2HD   LYS  32          1HD       LYS  32   4.230 -15.735  -7.921
  253   1HE   LYS  32          2HE       LYS  32   5.919 -13.314  -8.581
  254   2HE   LYS  32          1HE       LYS  32   6.284 -14.924  -9.202
  255   1HZ   LYS  32          1HZ       LYS  32   4.660 -13.200 -10.419
  256   2HZ   LYS  32          2HZ       LYS  32   3.530 -14.062  -9.491
  257   3HZ   LYS  32          3HZ       LYS  32   4.536 -14.882 -10.588
  258    H    ASP  33           H        ASP  33   1.263 -12.832  -2.812
  259    HA   ASP  33           HA       ASP  33  -0.980 -14.774  -3.135
  260   1HB   ASP  33          2HB       ASP  33  -0.770 -15.461  -0.802
  261   2HB   ASP  33          1HB       ASP  33   0.756 -15.756  -1.635
  262    H    CYS  34           H        CYS  34   0.043 -11.619  -2.439
  263    HA   CYS  34           HA       CYS  34  -2.699 -10.838  -1.803
  264   1HB   CYS  34          2HB       CYS  34  -0.509 -10.738   0.254
  265   2HB   CYS  34          1HB       CYS  34  -1.803  -9.541   0.281
  266    H    GLU  35           H        GLU  35   0.688  -9.687  -1.782
  267    HA   GLU  35           HA       GLU  35  -0.007  -7.632  -3.748
  268   1HB   GLU  35          2HB       GLU  35  -0.757  -6.424  -1.823
  269   2HB   GLU  35          1HB       GLU  35   0.656  -6.906  -0.886
  270   1HG   GLU  35          2HG       GLU  35   2.108  -5.517  -2.166
  271   2HG   GLU  35          1HG       GLU  35   0.894  -5.280  -3.423
  272    H    GLU  36           H        GLU  36   1.950  -6.361  -4.372
  273    HA   GLU  36           HA       GLU  36   4.535  -7.507  -3.504
  274   1HB   GLU  36          2HB       GLU  36   3.843  -7.345  -6.447
  275   2HB   GLU  36          1HB       GLU  36   5.235  -8.132  -5.704
  276   1HG   GLU  36          2HG       GLU  36   3.663  -9.720  -4.568
  277   2HG   GLU  36          1HG       GLU  36   2.337  -8.991  -5.473
  278    H    CYS  37           H        CYS  37   5.448  -5.596  -2.836
  279    HA   CYS  37           HA       CYS  37   5.346  -3.293  -4.741
  280   1HB   CYS  37          2HB       CYS  37   5.272  -3.374  -1.731
  281   2HB   CYS  37          1HB       CYS  37   5.766  -1.920  -2.596
  282    H    THR  38           H        THR  38   7.236  -2.243  -5.200
  283    HA   THR  38           HA       THR  38   9.736  -3.292  -3.924
  284    HB   THR  38           HB       THR  38  10.826  -3.304  -6.068
  285    HG1  THR  38           1HG      THR  38   9.505  -2.702  -7.933
  286   1HG2  THR  38          1HG2      THR  38   9.248  -5.213  -5.495
  287   2HG2  THR  38          2HG2      THR  38   9.616  -5.024  -7.208
  288   3HG2  THR  38          3HG2      THR  38   8.076  -4.451  -6.569
  289    H    CYS  39           H        CYS  39  11.500  -1.710  -3.911
  290    HA   CYS  39           HA       CYS  39  10.482   1.104  -4.018
  291   1HB   CYS  39          2HB       CYS  39  12.321  -0.358  -2.194
  292   2HB   CYS  39          1HB       CYS  39  12.772   1.302  -2.579
  293    H    GLY  40           H        GLY  40  11.128   2.079  -5.869
  294   1HA   GLY  40          2HA       GLY  40  13.659   1.254  -7.167
  295   2HA   GLY  40          1HA       GLY  40  12.436   2.315  -7.869
  296    H    GLN  41           H        GLN  41  15.425   2.664  -7.413
  297    HA   GLN  41           HA       GLN  41  15.856   4.605  -5.378
  298   1HB   GLN  41          2HB       GLN  41  17.260   4.041  -7.993
  299   2HB   GLN  41          1HB       GLN  41  17.807   5.306  -6.892
  300   1HG   GLN  41          2HG       GLN  41  17.347   2.471  -5.955
  301   2HG   GLN  41          1HG       GLN  41  18.894   2.992  -6.622
  302   1HE2  GLN  41          1HE2      GLN  41  17.464   5.650  -5.114
  303   2HE2  GLN  41          2HE2      GLN  41  18.234   5.534  -3.605
  304    H    ASP  42           H        ASP  42  13.999   4.816  -8.193
  305    HA   ASP  42           HA       ASP  42  14.012   7.804  -8.002
  306   1HB   ASP  42          2HB       ASP  42  13.517   7.796 -10.486
  307   2HB   ASP  42          1HB       ASP  42  15.149   7.277 -10.060
  308    H    ALA  43           H        ALA  43  12.225   4.879  -8.025
  309    HA   ALA  43           HA       ALA  43   9.743   6.364  -7.579
  310   1HB   ALA  43          1HB       ALA  43   9.589   6.340  -9.962
  311   2HB   ALA  43          2HB       ALA  43   8.547   5.031  -9.405
  312   3HB   ALA  43          3HB       ALA  43  10.146   4.669 -10.051
  313    H    ILE  44           H        ILE  44   7.877   4.559  -7.467
  314    HA   ILE  44           HA       ILE  44   9.007   2.122  -6.149
  315    HB   ILE  44           HB       ILE  44   6.622   3.702  -5.143
  316   1HG1  ILE  44          2HG1      ILE  44   9.528   3.699  -4.295
  317   2HG1  ILE  44          1HG1      ILE  44   8.534   5.085  -4.743
  318   1HG2  ILE  44          1HG2      ILE  44   6.872   1.162  -4.709
  319   2HG2  ILE  44          2HG2      ILE  44   6.617   2.204  -3.309
  320   3HG2  ILE  44          3HG2      ILE  44   8.234   1.609  -3.682
  321   1HD1  ILE  44          1HD1      ILE  44   8.418   3.425  -2.228
  322   2HD1  ILE  44          2HD1      ILE  44   7.034   4.389  -2.741
  323   3HD1  ILE  44          3HD1      ILE  44   8.573   5.174  -2.385
  324    H    SER  45           H        SER  45   7.896   0.240  -6.621
  325    HA   SER  45           HA       SER  45   5.565   0.504  -8.483
  326   1HB   SER  45          2HB       SER  45   7.284  -1.956  -8.127
  327   2HB   SER  45          1HB       SER  45   6.215  -1.557  -9.469
  328    HG   SER  45           HG       SER  45   8.687  -0.374  -8.752
  329    H    CYS  46           H        CYS  46   3.690  -0.715  -8.025
  330    HA   CYS  46           HA       CYS  46   3.692  -2.472  -5.649
  331   1HB   CYS  46          2HB       CYS  46   2.433   0.229  -5.766
  332   2HB   CYS  46          1HB       CYS  46   1.500  -1.054  -4.994
  333    H    CYS  47           H        CYS  47   2.302  -4.148  -5.970
  334    HA   CYS  47           HA       CYS  47   0.158  -3.833  -8.037
  335   1HB   CYS  47          2HB       CYS  47   1.616  -6.438  -7.623
  336   2HB   CYS  47          1HB       CYS  47   0.697  -5.896  -9.026
  337    H    ASN  48           H        ASN  48  -1.773  -4.116  -7.043
  338    HA   ASN  48           HA       ASN  48  -1.886  -5.902  -4.641
  339   1HB   ASN  48          2HB       ASN  48  -4.056  -4.642  -4.199
  340   2HB   ASN  48          1HB       ASN  48  -2.581  -3.683  -4.061
  341   1HD2  ASN  48          1HD2      ASN  48  -4.227  -1.847  -4.526
  342   2HD2  ASN  48          2HD2      ASN  48  -4.542  -1.486  -6.155
  343    H    THR  49           H        THR  49  -3.420  -7.549  -4.579
  344    HA   THR  49           HA       THR  49  -5.111  -7.918  -7.023
  345    HB   THR  49           HB       THR  49  -4.513 -10.202  -7.182
  346    HG1  THR  49           1HG      THR  49  -4.240  -9.970  -4.570
  347   1HG2  THR  49          1HG2      THR  49  -1.974  -8.798  -6.310
  348   2HG2  THR  49          2HG2      THR  49  -2.716  -8.616  -7.899
  349   3HG2  THR  49          3HG2      THR  49  -2.091 -10.186  -7.392
  350    H    ALA  50           H        ALA  50  -4.888  -7.844  -3.616
  351    HA   ALA  50           HA       ALA  50  -7.081  -9.633  -3.011
  352   1HB   ALA  50          1HB       ALA  50  -5.239  -8.693  -1.425
  353   2HB   ALA  50          2HB       ALA  50  -6.874  -8.882  -0.791
  354   3HB   ALA  50          3HB       ALA  50  -6.298  -7.290  -1.283
  355    H    ALA  51           H        ALA  51  -9.149  -8.742  -1.973
  356    HA   ALA  51           HA       ALA  51 -10.687  -7.306  -3.809
  357   1HB   ALA  51          1HB       ALA  51 -12.110  -6.706  -1.709
  358   2HB   ALA  51          2HB       ALA  51 -10.940  -7.690  -0.831
  359   3HB   ALA  51          3HB       ALA  51 -11.902  -8.408  -2.122
  360    H    ILE  52           H        ILE  52 -11.726  -5.077  -3.334
  361    HA   ILE  52           HA       ILE  52  -9.700  -3.173  -2.260
  362    HB   ILE  52           HB       ILE  52 -11.260  -2.737  -4.819
  363   1HG1  ILE  52          2HG1      ILE  52  -8.793  -2.929  -5.742
  364   2HG1  ILE  52          1HG1      ILE  52  -8.525  -3.882  -4.285
  365   1HG2  ILE  52          1HG2      ILE  52 -10.558  -0.719  -3.512
  366   2HG2  ILE  52          2HG2      ILE  52  -9.791  -0.822  -5.097
  367   3HG2  ILE  52          3HG2      ILE  52  -8.884  -1.260  -3.649
  368   1HD1  ILE  52          1HD1      ILE  52  -9.945  -4.601  -6.736
  369   2HD1  ILE  52          2HD1      ILE  52 -10.912  -4.910  -5.296
  370   3HD1  ILE  52          3HD1      ILE  52  -9.317  -5.642  -5.461
  371    HA   PRO  53           HA       PRO  53 -13.378  -1.782  -0.088
  372   1HB   PRO  53          2HB       PRO  53 -12.261   0.848   0.264
  373   2HB   PRO  53          1HB       PRO  53 -12.393  -0.453   1.450
  374   1HG   PRO  53          2HG       PRO  53 -10.029   0.503   0.115
  375   2HG   PRO  53          1HG       PRO  53 -10.156  -0.759   1.343
  376   1HD   PRO  53          2HD       PRO  53  -9.580  -1.097  -1.444
  377   2HD   PRO  53          1HD       PRO  53  -9.815  -2.375  -0.224
  378    H    THR  54           H        THR  54 -15.254  -1.023  -1.001
  379    HA   THR  54           HA       THR  54 -15.117   1.294  -2.866
  380    HB   THR  54           HB       THR  54 -15.938   0.174  -4.682
  381    HG1  THR  54           1HG      THR  54 -17.233  -1.846  -3.279
  382   1HG2  THR  54          1HG2      THR  54 -15.102  -2.256  -3.080
  383   2HG2  THR  54          2HG2      THR  54 -13.985  -1.191  -3.934
  384   3HG2  THR  54          3HG2      THR  54 -15.173  -2.129  -4.836
  385    H    GLY  55           H        GLY  55 -17.318   2.232  -3.226
  386   1HA   GLY  55          2HA       GLY  55 -19.603   2.570  -2.560
  387   2HA   GLY  55          1HA       GLY  55 -19.363   1.433  -1.235
  388    H    TYR  56           H        TYR  56 -16.786   2.806  -0.496
  389    HA   TYR  56           HA       TYR  56 -17.929   4.673   1.387
  390   1HB   TYR  56          2HB       TYR  56 -15.845   4.708   2.354
  391   2HB   TYR  56          1HB       TYR  56 -15.662   3.236   1.404
  392    HD1  TYR  56           1HD      TYR  56 -14.398   3.254  -0.722
  393    HD2  TYR  56           2HD      TYR  56 -14.695   6.749   1.755
  394    HE1  TYR  56           1HE      TYR  56 -12.516   4.291  -1.958
  395    HE2  TYR  56           2HE      TYR  56 -12.813   7.787   0.520
  396    HH   TYR  56           HH       TYR  56 -11.849   7.093  -2.279
  397    H    ASP  57           H        ASP  57 -17.830   6.945   1.371
  398    HA   ASP  57           HA       ASP  57 -18.012   8.255  -1.145
  399   1HB   ASP  57          2HB       ASP  57 -18.898   9.090   1.085
  400   2HB   ASP  57          1HB       ASP  57 -17.248   9.579   1.469
  401    H    THR  58           H        THR  58 -16.388   8.669  -2.560
  402    HA   THR  58           HA       THR  58 -13.588   8.598  -1.638
  403    HB   THR  58           HB       THR  58 -12.999   8.583  -3.963
  404    HG1  THR  58           1HG      THR  58 -15.371   8.805  -5.142
  405   1HG2  THR  58          1HG2      THR  58 -15.624   7.100  -3.932
  406   2HG2  THR  58          2HG2      THR  58 -14.257   6.559  -2.958
  407   3HG2  THR  58          3HG2      THR  58 -14.112   6.641  -4.713
  408    H    ASN  59           H        ASN  59 -13.989  10.621  -0.304
  409    HA   ASN  59           HA       ASN  59 -14.280  13.123  -1.829
  410   1HB   ASN  59          2HB       ASN  59 -15.309  12.976   0.386
  411   2HB   ASN  59          1HB       ASN  59 -13.745  12.602   1.111
  412   1HD2  ASN  59          1HD2      ASN  59 -12.194  14.348   1.346
  413   2HD2  ASN  59          2HD2      ASN  59 -12.629  15.970   1.102
  414    H    LYS  60           H        LYS  60 -11.780  11.661   0.271
  415    HA   LYS  60           HA       LYS  60  -9.631  12.455  -1.476
  416   1HB   LYS  60          2HB       LYS  60 -10.404  14.660  -0.348
  417   2HB   LYS  60          1HB       LYS  60  -9.685  13.998   1.121
  418   1HG   LYS  60          2HG       LYS  60  -7.530  13.729  -0.051
  419   2HG   LYS  60          1HG       LYS  60  -8.247  14.384  -1.522
  420   1HD   LYS  60          2HD       LYS  60  -8.801  16.476  -0.227
  421   2HD   LYS  60          1HD       LYS  60  -7.862  15.822   1.116
  422   1HE   LYS  60          2HE       LYS  60  -6.728  16.149  -1.670
  423   2HE   LYS  60          1HE       LYS  60  -6.592  17.394  -0.429
  424   1HZ   LYS  60          1HZ       LYS  60  -4.983  15.156  -0.774
  425   2HZ   LYS  60          2HZ       LYS  60  -5.862  14.903   0.659
  426   3HZ   LYS  60          3HZ       LYS  60  -4.913  16.300   0.475
  427    H    CYS  61           H        CYS  61 -10.407  10.069  -0.191
  428    HA   CYS  61           HA       CYS  61  -8.474   9.729   2.048
  429   1HB   CYS  61          2HB       CYS  61 -10.456   7.711   0.968
  430   2HB   CYS  61          1HB       CYS  61  -9.626   7.677   2.524
  431    H    GLN  62           H        GLN  62  -7.481   7.370   1.933
  432    HA   GLN  62           HA       GLN  62  -6.488   6.838  -0.834
  433   1HB   GLN  62          2HB       GLN  62  -4.703   8.109   0.048
  434   2HB   GLN  62          1HB       GLN  62  -4.883   7.411   1.655
  435   1HG   GLN  62          2HG       GLN  62  -4.012   5.281   0.901
  436   2HG   GLN  62          1HG       GLN  62  -4.012   5.827  -0.778
  437   1HE2  GLN  62          1HE2      GLN  62  -1.719   5.010   1.114
  438   2HE2  GLN  62          2HE2      GLN  62  -0.630   6.308   1.021
  439    H    LYS  63           H        LYS  63  -5.860   4.641  -1.165
  440    HA   LYS  63           HA       LYS  63  -6.766   2.769   0.993
  441   1HB   LYS  63          2HB       LYS  63  -6.631   2.119  -1.955
  442   2HB   LYS  63          1HB       LYS  63  -7.518   1.269  -0.690
  443   1HG   LYS  63          2HG       LYS  63  -8.950   3.281  -0.379
  444   2HG   LYS  63          1HG       LYS  63  -8.107   4.062  -1.716
  445   1HD   LYS  63          2HD       LYS  63  -9.402   1.359  -2.070
  446   2HD   LYS  63          1HD       LYS  63 -10.343   2.842  -2.232
  447   1HE   LYS  63          2HE       LYS  63  -8.594   3.637  -3.899
  448   2HE   LYS  63          1HE       LYS  63  -7.934   2.001  -3.862
  449   1HZ   LYS  63          1HZ       LYS  63  -9.736   1.146  -4.915
  450   2HZ   LYS  63          2HZ       LYS  63  -9.776   2.710  -5.578
  451   3HZ   LYS  63          3HZ       LYS  63 -10.809   2.302  -4.292
  452    H    ILE  64           H        ILE  64  -5.375   1.081   1.546
  453    HA   ILE  64           HA       ILE  64  -2.873   0.755  -0.025
  454    HB   ILE  64           HB       ILE  64  -2.738   2.409   2.046
  455   1HG1  ILE  64          2HG1      ILE  64  -0.800   1.808   0.726
  456   2HG1  ILE  64          1HG1      ILE  64  -0.380   1.628   2.427
  457   1HG2  ILE  64          1HG2      ILE  64  -2.248   1.361   4.140
  458   2HG2  ILE  64          2HG2      ILE  64  -2.253  -0.245   3.415
  459   3HG2  ILE  64          3HG2      ILE  64  -3.760   0.659   3.570
  460   1HD1  ILE  64          1HD1      ILE  64   0.447  -0.348   1.447
  461   2HD1  ILE  64          2HD1      ILE  64  -0.956  -0.522   0.396
  462   3HD1  ILE  64          3HD1      ILE  64  -1.101  -0.849   2.124
  463    H    LEU  65           H        LEU  65  -2.452  -1.381  -0.284
  464    HA   LEU  65           HA       LEU  65  -3.983  -3.323   1.368
  465   1HB   LEU  65          2HB       LEU  65  -4.220  -3.671  -1.000
  466   2HB   LEU  65          1HB       LEU  65  -2.480  -3.559  -1.253
  467    HG   LEU  65           HG       LEU  65  -2.102  -5.644  -0.115
  468   1HD1  LEU  65          1HD1      LEU  65  -3.575  -5.600   1.730
  469   2HD1  LEU  65          2HD1      LEU  65  -4.201  -6.909   0.728
  470   3HD1  LEU  65          3HD1      LEU  65  -4.989  -5.330   0.709
  471   1HD2  LEU  65          1HD2      LEU  65  -4.558  -5.887  -1.880
  472   2HD2  LEU  65          2HD2      LEU  65  -3.434  -7.191  -1.501
  473   3HD2  LEU  65          3HD2      LEU  65  -2.893  -5.810  -2.454
  474    H    ASN  66           H        ASN  66  -2.799  -3.636   3.251
  475    HA   ASN  66           HA       ASN  66   0.121  -3.840   3.187
  476   1HB   ASN  66          2HB       ASN  66  -1.961  -4.222   5.349
  477   2HB   ASN  66          1HB       ASN  66  -0.247  -4.533   5.630
  478   1HD2  ASN  66          1HD2      ASN  66  -1.449  -2.473   7.097
  479   2HD2  ASN  66          2HD2      ASN  66  -0.901  -0.969   6.532
  480    H    LYS  67           H        LYS  67   1.311  -5.727   3.136
  481    HA   LYS  67           HA       LYS  67  -0.206  -8.230   2.655
  482   1HB   LYS  67          2HB       LYS  67   2.257  -9.040   2.181
  483   2HB   LYS  67          1HB       LYS  67   1.428  -8.026   1.002
  484   1HG   LYS  67          2HG       LYS  67   2.940  -6.616   3.155
  485   2HG   LYS  67          1HG       LYS  67   3.892  -7.437   1.919
  486   1HD   LYS  67          2HD       LYS  67   2.934  -6.153   0.167
  487   2HD   LYS  67          1HD       LYS  67   1.621  -5.580   1.196
  488   1HE   LYS  67          2HE       LYS  67   4.555  -4.897   1.553
  489   2HE   LYS  67          1HE       LYS  67   3.333  -3.825   0.871
  490   1HZ   LYS  67          1HZ       LYS  67   2.099  -4.044   2.984
  491   2HZ   LYS  67          2HZ       LYS  67   3.617  -3.304   3.169
  492   3HZ   LYS  67          3HZ       LYS  67   3.398  -4.926   3.627
  493    H    LYS  68           H        LYS  68   1.191  -6.667   5.268
  494    HA   LYS  68           HA       LYS  68   2.596  -8.693   6.643
  495   1HB   LYS  68          2HB       LYS  68   0.873  -6.397   7.573
  496   2HB   LYS  68          1HB       LYS  68   1.584  -7.515   8.738
  497   1HG   LYS  68          2HG       LYS  68   3.021  -5.516   8.334
  498   2HG   LYS  68          1HG       LYS  68   3.825  -7.024   7.900
  499   1HD   LYS  68          2HD       LYS  68   3.493  -6.662   5.577
  500   2HD   LYS  68          1HD       LYS  68   2.295  -5.400   5.865
  501   1HE   LYS  68          2HE       LYS  68   4.696  -4.669   5.196
  502   2HE   LYS  68          1HE       LYS  68   3.922  -3.838   6.545
  503   1HZ   LYS  68          1HZ       LYS  68   5.660  -6.205   6.921
  504   2HZ   LYS  68          2HZ       LYS  68   5.138  -5.091   8.093
  505   3HZ   LYS  68          3HZ       LYS  68   6.271  -4.623   6.915
  506    H    THR  69           H        THR  69  -0.892  -7.960   6.668
  507    HA   THR  69           HA       THR  69  -1.384 -10.797   7.488
  508    HB   THR  69           HB       THR  69  -3.410  -9.847   8.741
  509    HG1  THR  69           1HG      THR  69  -1.870  -7.505   8.330
  510   1HG2  THR  69          1HG2      THR  69  -2.037  -9.258  10.726
  511   2HG2  THR  69          2HG2      THR  69  -0.613  -9.172   9.691
  512   3HG2  THR  69          3HG2      THR  69  -1.448 -10.709   9.916
  513    H    CYS  70           H        CYS  70  -1.464  -9.103   4.913
  514    HA   CYS  70           HA       CYS  70  -2.858  -8.889   3.038
  515   1HB   CYS  70          2HB       CYS  70  -3.953 -11.396   4.338
  516   2HB   CYS  70          1HB       CYS  70  -4.457 -10.833   2.744
  517    H    THR  71           H        THR  71  -3.726  -6.893   4.066
  518    HA   THR  71           HA       THR  71  -6.660  -7.118   4.387
  519    HB   THR  71           HB       THR  71  -6.487  -6.990   6.655
  520    HG1  THR  71           1HG      THR  71  -6.729  -4.974   7.203
  521   1HG2  THR  71          1HG2      THR  71  -4.333  -6.263   7.777
  522   2HG2  THR  71          2HG2      THR  71  -3.640  -6.088   6.164
  523   3HG2  THR  71          3HG2      THR  71  -4.185  -7.670   6.722
  524    H    TYR  72           H        TYR  72  -7.721  -5.032   4.077
  525    HA   TYR  72           HA       TYR  72  -5.986  -3.097   2.591
  526   1HB   TYR  72          2HB       TYR  72  -8.455  -4.360   1.925
  527   2HB   TYR  72          1HB       TYR  72  -8.805  -2.650   2.164
  528    HD1  TYR  72           1HD      TYR  72  -7.667  -5.055  -0.165
  529    HD2  TYR  72           2HD      TYR  72  -7.044  -0.986   1.067
  530    HE1  TYR  72           1HE      TYR  72  -6.676  -4.536  -2.378
  531    HE2  TYR  72           2HE      TYR  72  -6.053  -0.470  -1.147
  532    HH   TYR  72           HH       TYR  72  -5.226  -2.935  -3.411
  533    H    THR  73           H        THR  73  -5.503  -1.360   3.836
  534    HA   THR  73           HA       THR  73  -7.556  -0.384   5.786
  535    HB   THR  73           HB       THR  73  -5.851   0.234   7.212
  536    HG1  THR  73           1HG      THR  73  -3.692   0.337   5.619
  537   1HG2  THR  73          1HG2      THR  73  -5.600  -2.221   6.581
  538   2HG2  THR  73          2HG2      THR  73  -4.172  -1.464   7.285
  539   3HG2  THR  73          3HG2      THR  73  -4.265  -1.724   5.543
  540    H    VAL  74           H        VAL  74  -8.208   1.774   5.660
  541    HA   VAL  74           HA       VAL  74  -7.246   3.265   3.249
  542    HB   VAL  74           HB       VAL  74  -9.805   3.828   4.747
  543   1HG1  VAL  74          1HG1      VAL  74 -10.469   4.863   2.693
  544   2HG1  VAL  74          2HG1      VAL  74  -9.123   4.140   1.815
  545   3HG1  VAL  74          3HG1      VAL  74  -8.821   5.408   3.002
  546   1HG2  VAL  74          1HG2      VAL  74  -9.275   1.748   2.607
  547   2HG2  VAL  74          2HG2      VAL  74 -10.887   2.365   2.967
  548   3HG2  VAL  74          3HG2      VAL  74  -9.981   1.493   4.204
  549    H    VAL  75           H        VAL  75  -5.992   5.004   3.678
  550    HA   VAL  75           HA       VAL  75  -6.201   6.278   6.381
  551    HB   VAL  75           HB       VAL  75  -3.910   7.098   5.984
  552   1HG1  VAL  75          1HG1      VAL  75  -4.211   4.127   5.441
  553   2HG1  VAL  75          2HG1      VAL  75  -4.219   4.884   7.034
  554   3HG1  VAL  75          3HG1      VAL  75  -2.757   4.917   6.050
  555   1HG2  VAL  75          1HG2      VAL  75  -4.367   5.789   3.305
  556   2HG2  VAL  75          2HG2      VAL  75  -2.735   5.996   3.942
  557   3HG2  VAL  75          3HG2      VAL  75  -3.753   7.405   3.657
  558    H    GLU  76           H        GLU  76  -5.675   8.707   6.289
  559    HA   GLU  76           HA       GLU  76  -7.091   9.893   3.933
  560   1HB   GLU  76          2HB       GLU  76  -8.034  10.156   6.319
  561   2HB   GLU  76          1HB       GLU  76  -6.670  11.238   6.604
  562   1HG   GLU  76          2HG       GLU  76  -7.370  12.614   4.665
  563   2HG   GLU  76          1HG       GLU  76  -8.757  11.550   4.426
  564    H    LYS  77           H        LYS  77  -5.960  11.286   2.658
  565    HA   LYS  77           HA       LYS  77  -3.141  11.578   2.898
  566   1HB   LYS  77          2HB       LYS  77  -5.190  13.208   1.373
  567   2HB   LYS  77          1HB       LYS  77  -3.450  13.436   1.203
  568   1HG   LYS  77          2HG       LYS  77  -4.579  10.669   0.913
  569   2HG   LYS  77          1HG       LYS  77  -4.752  11.801  -0.428
  570   1HD   LYS  77          2HD       LYS  77  -2.056  11.518   0.860
  571   2HD   LYS  77          1HD       LYS  77  -2.604  10.250  -0.234
  572   1HE   LYS  77          2HE       LYS  77  -2.952  11.878  -2.016
  573   2HE   LYS  77          1HE       LYS  77  -2.538  13.201  -0.926
  574   1HZ   LYS  77          1HZ       LYS  77  -0.522  12.877  -1.861
  575   2HZ   LYS  77          2HZ       LYS  77  -0.808  11.239  -2.212
  576   3HZ   LYS  77          3HZ       LYS  77  -0.390  11.712  -0.635
  577    H    LYS  78           H        LYS  78  -5.601  13.066   4.682
  578    HA   LYS  78           HA       LYS  78  -3.793  15.344   5.408
  579   1HB   LYS  78          2HB       LYS  78  -6.151  15.792   4.422
  580   2HB   LYS  78          1HB       LYS  78  -6.752  15.248   5.987
  581   1HG   LYS  78          2HG       LYS  78  -4.807  16.991   6.789
  582   2HG   LYS  78          1HG       LYS  78  -5.306  17.745   5.276
  583   1HD   LYS  78          2HD       LYS  78  -7.253  16.900   7.442
  584   2HD   LYS  78          1HD       LYS  78  -6.590  18.528   7.306
  585   1HE   LYS  78          2HE       LYS  78  -7.980  17.185   4.985
  586   2HE   LYS  78          1HE       LYS  78  -8.869  18.116   6.191
  587   1HZ   LYS  78          1HZ       LYS  78  -7.191  19.030   4.058
  588   2HZ   LYS  78          2HZ       LYS  78  -6.769  19.718   5.553
  589   3HZ   LYS  78          3HZ       LYS  78  -8.353  19.876   4.958
  590    H    ASP  79           H        ASP  79  -4.615  12.355   6.480
  591    HA   ASP  79           HA       ASP  79  -3.908  13.054   9.243
  592   1HB   ASP  79          2HB       ASP  79  -6.486  13.260   8.908
  593   2HB   ASP  79          1HB       ASP  79  -6.459  11.497   8.871
  594    HA   PRO  80           HA       PRO  80  -2.436   8.930   7.581
  595   1HB   PRO  80          2HB       PRO  80   0.102   9.536   8.801
  596   2HB   PRO  80          1HB       PRO  80  -0.281   9.399   7.084
  597   1HG   PRO  80          2HG       PRO  80   0.324  11.776   8.541
  598   2HG   PRO  80          1HG       PRO  80  -0.138  11.643   6.843
  599   1HD   PRO  80          2HD       PRO  80  -1.713  12.658   9.061
  600   2HD   PRO  80          1HD       PRO  80  -2.136  12.628   7.332
  601    H    GLY  81           H        GLY  81  -3.721   9.828  10.234
  602   1HA   GLY  81          2HA       GLY  81  -2.648   7.566  11.858
  603   2HA   GLY  81          1HA       GLY  81  -2.883   9.143  12.615
  604    H    LYS  82           H        LYS  82  -5.199   8.769  10.253
  605    HA   LYS  82           HA       LYS  82  -7.145   7.452  12.097
  606   1HB   LYS  82          2HB       LYS  82  -7.422  10.135  10.723
  607   2HB   LYS  82          1HB       LYS  82  -8.816   9.229  11.308
  608   1HG   LYS  82          2HG       LYS  82  -6.498   9.727  13.161
  609   2HG   LYS  82          1HG       LYS  82  -7.667  11.013  12.872
  610   1HD   LYS  82          2HD       LYS  82  -9.500   9.436  13.508
  611   2HD   LYS  82          1HD       LYS  82  -8.279   8.230  13.910
  612   1HE   LYS  82          2HE       LYS  82  -8.890   9.360  15.955
  613   2HE   LYS  82          1HE       LYS  82  -7.271   9.899  15.509
  614   1HZ   LYS  82          1HZ       LYS  82  -9.799  11.360  15.459
  615   2HZ   LYS  82          2HZ       LYS  82  -8.674  11.711  14.236
  616   3HZ   LYS  82          3HZ       LYS  82  -8.244  11.899  15.869
  617    H    THR  83           H        THR  83  -8.719   6.231  11.020
  618    HA   THR  83           HA       THR  83  -8.114   5.583   8.228
  619    HB   THR  83           HB       THR  83  -9.911   3.892   8.499
  620    HG1  THR  83           1HG      THR  83 -10.481   3.892  10.961
  621   1HG2  THR  83          1HG2      THR  83  -8.806   2.584  10.279
  622   2HG2  THR  83          2HG2      THR  83  -7.967   4.039  10.821
  623   3HG2  THR  83          3HG2      THR  83  -7.622   3.362   9.229
  624    H    CYS  84           H        CYS  84  -9.662   5.758   6.491
  625    HA   CYS  84           HA       CYS  84 -11.403   8.136   6.767
  626   1HB   CYS  84          2HB       CYS  84 -10.034   8.152   4.803
  627   2HB   CYS  84          1HB       CYS  84 -10.478   6.495   4.398
  628    H    ASP  85           H        ASP  85 -13.592   7.944   5.577
  629    HA   ASP  85           HA       ASP  85 -15.210   6.012   6.888
  630   1HB   ASP  85          2HB       ASP  85 -15.655   7.784   4.485
  631   2HB   ASP  85          1HB       ASP  85 -16.904   6.669   5.040
  632    H    VAL  86           H        VAL  86 -15.988   4.007   6.249
  633    HA   VAL  86           HA       VAL  86 -15.041   2.943   3.619
  634    HB   VAL  86           HB       VAL  86 -15.122   1.323   6.174
  635   1HG1  VAL  86          1HG1      VAL  86 -13.502  -0.078   4.771
  636   2HG1  VAL  86          2HG1      VAL  86 -13.992   0.913   3.397
  637   3HG1  VAL  86          3HG1      VAL  86 -15.184  -0.077   4.241
  638   1HG2  VAL  86          1HG2      VAL  86 -12.847   2.879   4.919
  639   2HG2  VAL  86          2HG2      VAL  86 -12.590   1.568   6.071
  640   3HG2  VAL  86          3HG2      VAL  86 -13.465   3.018   6.565
  641    H    THR  87           H        THR  87 -16.317   0.854   3.084
  642    HA   THR  87           HA       THR  87 -19.064   0.919   4.234
  643    HB   THR  87           HB       THR  87 -19.848   0.605   1.765
  644    HG1  THR  87           1HG      THR  87 -17.222   1.025   1.490
  645   1HG2  THR  87          1HG2      THR  87 -19.842   3.135   1.472
  646   2HG2  THR  87          2HG2      THR  87 -18.884   3.213   2.951
  647   3HG2  THR  87          3HG2      THR  87 -20.516   2.545   2.991
  648    H    GLY  88           H        GLY  88 -16.727  -0.771   2.162
  649   1HA   GLY  88          2HA       GLY  88 -17.152  -3.291   3.413
  650   2HA   GLY  88          1HA       GLY  88 -18.144  -3.230   1.957
  651    H    TRP  89           H        TRP  89 -16.680  -5.024   1.257
  652    HA   TRP  89           HA       TRP  89 -14.319  -3.890  -0.157
  653   1HB   TRP  89          2HB       TRP  89 -14.148  -6.573   1.214
  654   2HB   TRP  89          1HB       TRP  89 -12.835  -5.568   0.599
  655    HD1  TRP  89           HD       TRP  89 -12.718  -3.035   1.896
  656    HE1  TRP  89           1HE      TRP  89 -12.845  -2.602   4.435
  657    HE3  TRP  89           3HE      TRP  89 -14.948  -7.368   3.422
  658    HZ2  TRP  89           2HZ      TRP  89 -13.770  -3.918   6.799
  659    HZ3  TRP  89           3HZ      TRP  89 -15.440  -7.752   5.820
  660    HH2  TRP  89           HH       TRP  89 -14.855  -6.035   7.510
  661    H    VAL  90           H        VAL  90 -14.554  -4.386  -2.272
  662    HA   VAL  90           HA       VAL  90 -16.141  -6.819  -2.992
  663    HB   VAL  90           HB       VAL  90 -15.512  -4.435  -4.747
  664   1HG1  VAL  90          1HG1      VAL  90 -17.499  -5.348  -6.004
  665   2HG1  VAL  90          2HG1      VAL  90 -17.453  -6.753  -4.940
  666   3HG1  VAL  90          3HG1      VAL  90 -16.093  -6.412  -6.010
  667   1HG2  VAL  90          1HG2      VAL  90 -17.779  -3.651  -4.241
  668   2HG2  VAL  90          2HG2      VAL  90 -16.849  -3.778  -2.748
  669   3HG2  VAL  90          3HG2      VAL  90 -18.032  -5.020  -3.158
  670    H    LEU  91           H        LEU  91 -15.349  -8.079  -4.827
  671    HA   LEU  91           HA       LEU  91 -12.504  -8.520  -4.723
  672   1HB   LEU  91          2HB       LEU  91 -14.458 -10.151  -5.372
  673   2HB   LEU  91          1HB       LEU  91 -14.230  -9.491  -6.990
  674    HG   LEU  91           HG       LEU  91 -11.677 -10.001  -6.508
  675   1HD1  LEU  91          1HD1      LEU  91 -11.968 -10.686  -4.178
  676   2HD1  LEU  91          2HD1      LEU  91 -11.446 -12.071  -5.135
  677   3HD1  LEU  91          3HD1      LEU  91 -13.137 -11.916  -4.660
  678   1HD2  LEU  91          1HD2      LEU  91 -12.987 -11.042  -8.300
  679   2HD2  LEU  91          2HD2      LEU  91 -13.734 -12.142  -7.142
  680   3HD2  LEU  91          3HD2      LEU  91 -12.010 -12.265  -7.489
  Start of MODEL   12
    1   1H    GLN   1          1HT       GLN   1   0.067  -3.364 -16.523
    2   2H    GLN   1          2HT       GLN   1  -0.174  -2.146 -15.364
    3   3H    GLN   1          3HT       GLN   1  -1.505  -2.974 -16.020
    4    HA   GLN   1           HA       GLN   1  -1.411  -4.407 -14.354
    5   1HB   GLN   1          2HB       GLN   1   1.332  -4.927 -15.535
    6   2HB   GLN   1          1HB       GLN   1   0.598  -5.938 -14.289
    7   1HG   GLN   1          2HG       GLN   1  -1.202  -6.573 -15.727
    8   2HG   GLN   1          1HG       GLN   1  -0.791  -5.326 -16.905
    9   1HE2  GLN   1          1HE2      GLN   1   0.027  -6.378 -18.723
   10   2HE2  GLN   1          2HE2      GLN   1   1.172  -7.631 -18.688
   11    H    CYS   2           H        CYS   2  -0.773  -4.585 -12.151
   12    HA   CYS   2           HA       CYS   2   0.059  -3.720 -10.130
   13   1HB   CYS   2          2HB       CYS   2   2.144  -4.734 -11.231
   14   2HB   CYS   2          1HB       CYS   2   2.561  -3.088 -11.707
   15    H    TYR   3           H        TYR   3   1.136  -1.642  -9.183
   16    HA   TYR   3           HA       TYR   3   0.134   0.700 -10.763
   17   1HB   TYR   3          2HB       TYR   3  -0.770  -0.072  -8.340
   18   2HB   TYR   3          1HB       TYR   3   0.583   0.931  -7.820
   19    HD1  TYR   3           1HD      TYR   3   0.792   3.214  -9.287
   20    HD2  TYR   3           2HD      TYR   3  -2.822   1.008  -8.559
   21    HE1  TYR   3           1HE      TYR   3  -0.545   5.254  -9.736
   22    HE2  TYR   3           2HE      TYR   3  -4.157   3.048  -9.008
   23    HH   TYR   3           HH       TYR   3  -4.089   5.240  -9.398
   24    H    PHE   4           H        PHE   4   1.609   2.243 -11.302
   25    HA   PHE   4           HA       PHE   4   4.343   2.032 -10.094
   26   1HB   PHE   4          2HB       PHE   4   3.335   2.711 -12.833
   27   2HB   PHE   4          1HB       PHE   4   4.813   3.499 -12.280
   28    HD1  PHE   4           1HD      PHE   4   3.239   0.280 -13.139
   29    HD2  PHE   4           2HD      PHE   4   6.840   2.221 -11.832
   30    HE1  PHE   4           1HE      PHE   4   4.527  -1.780 -13.632
   31    HE2  PHE   4           2HE      PHE   4   8.129   0.160 -12.325
   32    HZ   PHE   4           HZ       PHE   4   6.972  -1.841 -13.225
   33    H    ILE   5           H        ILE   5   5.138   3.790  -9.018
   34    HA   ILE   5           HA       ILE   5   3.713   6.396  -9.307
   35    HB   ILE   5           HB       ILE   5   4.459   5.017  -6.719
   36   1HG1  ILE   5          2HG1      ILE   5   1.769   6.023  -7.684
   37   2HG1  ILE   5          1HG1      ILE   5   2.309   4.358  -7.904
   38   1HG2  ILE   5          1HG2      ILE   5   4.972   7.332  -6.425
   39   2HG2  ILE   5          2HG2      ILE   5   3.372   7.101  -5.719
   40   3HG2  ILE   5          3HG2      ILE   5   3.534   7.834  -7.315
   41   1HD1  ILE   5          1HD1      ILE   5   2.204   5.735  -5.208
   42   2HD1  ILE   5          2HD1      ILE   5   2.487   4.023  -5.522
   43   3HD1  ILE   5          3HD1      ILE   5   0.901   4.728  -5.838
   44    HA   PRO   6           HA       PRO   6   8.092   7.417  -9.878
   45   1HB   PRO   6          2HB       PRO   6   7.430  10.218  -9.778
   46   2HB   PRO   6          1HB       PRO   6   7.842   9.241 -11.190
   47   1HG   PRO   6          2HG       PRO   6   5.275  10.293 -10.465
   48   2HG   PRO   6          1HG       PRO   6   5.690   9.316 -11.876
   49   1HD   PRO   6          2HD       PRO   6   4.168   8.519  -9.560
   50   2HD   PRO   6          1HD       PRO   6   4.602   7.529 -10.978
   51    H    ASN   7           H        ASN   7   9.765   8.421  -8.565
   52    HA   ASN   7           HA       ASN   7   9.465   8.218  -5.783
   53   1HB   ASN   7          2HB       ASN   7  11.658   8.342  -6.928
   54   2HB   ASN   7          1HB       ASN   7  11.368  10.046  -7.280
   55   1HD2  ASN   7          1HD2      ASN   7  10.297   8.636  -4.222
   56   2HD2  ASN   7          2HD2      ASN   7  11.435   9.435  -3.248
   57    H    GLN   8           H        GLN   8   8.672   9.571  -4.213
   58    HA   GLN   8           HA       GLN   8   8.256  12.433  -4.798
   59   1HB   GLN   8          2HB       GLN   8   5.892  12.422  -4.437
   60   2HB   GLN   8          1HB       GLN   8   6.206  11.144  -5.609
   61   1HG   GLN   8          2HG       GLN   8   5.676  10.831  -2.642
   62   2HG   GLN   8          1HG       GLN   8   4.696  10.231  -3.978
   63   1HE2  GLN   8          1HE2      GLN   8   6.050   8.699  -5.540
   64   2HE2  GLN   8          2HE2      GLN   8   7.052   7.573  -4.761
   65    H    SER   9           H        SER   9   9.677  10.499  -2.860
   66    HA   SER   9           HA       SER   9   8.499  10.831  -0.269
   67   1HB   SER   9          2HB       SER   9  10.424   9.260  -0.997
   68   2HB   SER   9          1HB       SER   9  11.473  10.654  -0.751
   69    HG   SER   9           HG       SER   9  10.356   9.002   1.062
   70    H    LEU  10           H        LEU  10  10.531  11.994   1.284
   71    HA   LEU  10           HA       LEU  10  10.061  14.851   0.663
   72   1HB   LEU  10          2HB       LEU  10  11.416  13.671   3.101
   73   2HB   LEU  10          1HB       LEU  10  10.717  15.282   2.935
   74    HG   LEU  10           HG       LEU  10   9.156  12.686   2.781
   75   1HD1  LEU  10          1HD1      LEU  10   9.900  13.061   5.057
   76   2HD1  LEU  10          2HD1      LEU  10   8.196  13.507   4.959
   77   3HD1  LEU  10          3HD1      LEU  10   9.435  14.760   4.973
   78   1HD2  LEU  10          1HD2      LEU  10   8.426  15.607   2.551
   79   2HD2  LEU  10          2HD2      LEU  10   7.238  14.417   3.084
   80   3HD2  LEU  10          3HD2      LEU  10   7.974  14.273   1.489
   81    H    LYS  11           H        LYS  11  12.677  12.512   0.789
   82    HA   LYS  11           HA       LYS  11  14.476  14.598  -0.334
   83   1HB   LYS  11          2HB       LYS  11  15.518  12.632   1.698
   84   2HB   LYS  11          1HB       LYS  11  16.225  14.163   1.179
   85   1HG   LYS  11          2HG       LYS  11  14.139  15.279   2.179
   86   2HG   LYS  11          1HG       LYS  11  13.822  13.728   2.957
   87   1HD   LYS  11          2HD       LYS  11  16.225  13.850   3.839
   88   2HD   LYS  11          1HD       LYS  11  16.212  15.539   3.328
   89   1HE   LYS  11          2HE       LYS  11  15.523  15.631   5.586
   90   2HE   LYS  11          1HE       LYS  11  14.013  15.726   4.682
   91   1HZ   LYS  11          1HZ       LYS  11  13.822  14.126   6.456
   92   2HZ   LYS  11          2HZ       LYS  11  15.184  13.279   5.892
   93   3HZ   LYS  11          3HZ       LYS  11  13.762  13.324   4.963
   94    HA   PRO  12           HA       PRO  12  15.334  11.408  -3.304
   95   1HB   PRO  12          2HB       PRO  12  18.117  12.121  -3.552
   96   2HB   PRO  12          1HB       PRO  12  16.783  12.532  -4.629
   97   1HG   PRO  12          2HG       PRO  12  18.190  14.252  -2.797
   98   2HG   PRO  12          1HG       PRO  12  16.909  14.678  -3.936
   99   1HD   PRO  12          2HD       PRO  12  16.718  14.553  -1.079
  100   2HD   PRO  12          1HD       PRO  12  15.403  14.861  -2.241
  101    H    ASN  13           H        ASN  13  15.280  10.178  -0.904
  102    HA   ASN  13           HA       ASN  13  17.181   8.071  -1.133
  103   1HB   ASN  13          2HB       ASN  13  18.343   8.560   1.123
  104   2HB   ASN  13          1HB       ASN  13  18.884   9.484  -0.279
  105   1HD2  ASN  13          1HD2      ASN  13  19.099  11.667   0.197
  106   2HD2  ASN  13          2HD2      ASN  13  18.133  12.530   1.294
  107    H    GLU  14           H        GLU  14  14.372   8.353  -0.759
  108    HA   GLU  14           HA       GLU  14  14.063   6.665   1.645
  109   1HB   GLU  14          2HB       GLU  14  12.752   9.354   1.261
  110   2HB   GLU  14          1HB       GLU  14  11.991   8.104   2.249
  111   1HG   GLU  14          2HG       GLU  14  14.089   7.932   3.578
  112   2HG   GLU  14          1HG       GLU  14  14.758   9.268   2.640
  113    H    CYS  15           H        CYS  15  11.753   5.839   1.752
  114    HA   CYS  15           HA       CYS  15  10.505   5.645  -0.958
  115   1HB   CYS  15          2HB       CYS  15  11.598   3.474   0.754
  116   2HB   CYS  15          1HB       CYS  15  10.019   3.159   0.035
  117    H    GLN  16           H        GLN  16   8.759   6.956  -0.370
  118    HA   GLN  16           HA       GLN  16   7.028   5.889   1.833
  119   1HB   GLN  16          2HB       GLN  16   7.890   7.984   2.607
  120   2HB   GLN  16          1HB       GLN  16   7.622   8.749   1.042
  121   1HG   GLN  16          2HG       GLN  16   5.271   8.771   1.323
  122   2HG   GLN  16          1HG       GLN  16   5.332   7.592   2.632
  123   1HE2  GLN  16          1HE2      GLN  16   7.793  10.041   2.727
  124   2HE2  GLN  16          2HE2      GLN  16   7.101  10.984   3.955
  125    H    ASP  17           H        ASP  17   4.865   5.663   1.347
  126    HA   ASP  17           HA       ASP  17   3.953   6.572  -1.357
  127   1HB   ASP  17          2HB       ASP  17   3.532   3.888  -0.014
  128   2HB   ASP  17          1HB       ASP  17   2.555   4.442  -1.374
  129    H    LEU  18           H        LEU  18   2.143   7.822  -1.181
  130    HA   LEU  18           HA       LEU  18   0.282   8.863  -0.194
  131   1HB   LEU  18          2HB       LEU  18  -0.133   6.302   1.354
  132   2HB   LEU  18          1HB       LEU  18  -1.350   7.423   0.740
  133    HG   LEU  18           HG       LEU  18   0.406   5.567  -0.890
  134   1HD1  LEU  18          1HD1      LEU  18  -2.608   5.748  -0.835
  135   2HD1  LEU  18          2HD1      LEU  18  -1.726   4.737   0.308
  136   3HD1  LEU  18          3HD1      LEU  18  -1.601   4.424  -1.423
  137   1HD2  LEU  18          1HD2      LEU  18   0.251   7.584  -2.161
  138   2HD2  LEU  18          2HD2      LEU  18  -1.434   7.827  -1.702
  139   3HD2  LEU  18          3HD2      LEU  18  -1.001   6.524  -2.809
  140    H    LYS  19           H        LYS  19  -0.649   8.091   2.572
  141    HA   LYS  19           HA       LYS  19   1.602   9.365   4.090
  142   1HB   LYS  19          2HB       LYS  19  -0.850  10.452   3.711
  143   2HB   LYS  19          1HB       LYS  19  -1.176   9.504   5.160
  144   1HG   LYS  19          2HG       LYS  19  -0.422  11.504   6.094
  145   2HG   LYS  19          1HG       LYS  19   1.078  10.579   6.017
  146   1HD   LYS  19          2HD       LYS  19   1.524  11.642   3.771
  147   2HD   LYS  19          1HD       LYS  19   0.124  12.678   4.047
  148   1HE   LYS  19          2HE       LYS  19   2.420  12.486   6.007
  149   2HE   LYS  19          1HE       LYS  19   2.377  13.673   4.704
  150   1HZ   LYS  19          1HZ       LYS  19   0.527  13.396   6.993
  151   2HZ   LYS  19          2HZ       LYS  19   0.102  14.275   5.604
  152   3HZ   LYS  19          3HZ       LYS  19   1.441  14.749   6.534
  153    H    GLY  20           H        GLY  20   0.629   6.422   3.591
  154   1HA   GLY  20          2HA       GLY  20   0.358   5.640   6.465
  155   2HA   GLY  20          1HA       GLY  20  -0.148   4.645   5.103
  156    H    VAL  21           H        VAL  21   2.233   5.003   3.512
  157    HA   VAL  21           HA       VAL  21   3.983   3.131   4.983
  158    HB   VAL  21           HB       VAL  21   4.388   4.140   2.167
  159   1HG1  VAL  21          1HG1      VAL  21   6.205   2.831   3.247
  160   2HG1  VAL  21          2HG1      VAL  21   5.487   1.964   1.890
  161   3HG1  VAL  21          3HG1      VAL  21   5.062   1.521   3.544
  162   1HG2  VAL  21          1HG2      VAL  21   2.084   3.356   2.300
  163   2HG2  VAL  21          2HG2      VAL  21   2.595   1.901   3.155
  164   3HG2  VAL  21          3HG2      VAL  21   3.050   2.139   1.467
  165    H    SER  22           H        SER  22   6.301   3.496   5.136
  166    HA   SER  22           HA       SER  22   7.529   6.006   4.461
  167   1HB   SER  22          2HB       SER  22   7.602   7.121   6.548
  168   2HB   SER  22          1HB       SER  22   5.927   6.597   6.408
  169    HG   SER  22           HG       SER  22   6.758   4.632   7.556
  170    H    HIS  23           H        HIS  23   9.306   4.755   3.828
  171    HA   HIS  23           HA       HIS  23  10.950   3.683   6.036
  172   1HB   HIS  23          2HB       HIS  23   9.772   2.031   3.814
  173   2HB   HIS  23          1HB       HIS  23  11.345   1.595   4.479
  174    HD1  HIS  23           1HD      HIS  23  11.361   1.314   7.206
  175    HD2  HIS  23           2HD      HIS  23   7.641   1.125   5.333
  176    HE1  HIS  23           1HE      HIS  23   9.779   0.230   8.862
  177    HA   PRO  24           HA       PRO  24  14.224   5.499   3.668
  178   1HB   PRO  24          2HB       PRO  24  16.042   3.292   4.019
  179   2HB   PRO  24          1HB       PRO  24  16.012   4.832   4.883
  180   1HG   PRO  24          2HG       PRO  24  15.211   2.223   5.837
  181   2HG   PRO  24          1HG       PRO  24  15.307   3.741   6.734
  182   1HD   PRO  24          2HD       PRO  24  12.936   2.364   5.962
  183   2HD   PRO  24          1HD       PRO  24  13.042   3.994   6.672
  184    H    LEU  25           H        LEU  25  15.451   5.207   1.644
  185    HA   LEU  25           HA       LEU  25  14.051   3.673  -0.319
  186   1HB   LEU  25          2HB       LEU  25  16.027   5.683  -0.321
  187   2HB   LEU  25          1HB       LEU  25  16.780   4.307  -1.123
  188    HG   LEU  25           HG       LEU  25  14.024   5.333  -1.854
  189   1HD1  LEU  25          1HD1      LEU  25  16.758   6.085  -2.891
  190   2HD1  LEU  25          2HD1      LEU  25  15.447   7.150  -2.386
  191   3HD1  LEU  25          3HD1      LEU  25  15.314   6.243  -3.891
  192   1HD2  LEU  25          1HD2      LEU  25  14.497   4.050  -3.938
  193   2HD2  LEU  25          2HD2      LEU  25  14.496   3.020  -2.508
  194   3HD2  LEU  25          3HD2      LEU  25  16.024   3.515  -3.236
  195    H    ASN  26           H        ASN  26  15.965   2.372  -1.845
  196    HA   ASN  26           HA       ASN  26  16.827   0.187  -2.013
  197   1HB   ASN  26          2HB       ASN  26  18.261   1.357   0.380
  198   2HB   ASN  26          1HB       ASN  26  18.674  -0.223  -0.288
  199   1HD2  ASN  26          1HD2      ASN  26  19.027  -0.140  -2.822
  200   2HD2  ASN  26          2HD2      ASN  26  19.900   1.197  -3.399
  201    H    SER  27           H        SER  27  14.719  -0.792  -1.485
  202    HA   SER  27           HA       SER  27  14.900  -2.712   0.629
  203   1HB   SER  27          2HB       SER  27  12.869  -1.782   1.923
  204   2HB   SER  27          1HB       SER  27  14.427  -1.011   2.209
  205    HG   SER  27           HG       SER  27  13.332   0.163   0.113
  206    H    VAL  28           H        VAL  28  14.098  -4.262  -0.746
  207    HA   VAL  28           HA       VAL  28  11.479  -3.732  -2.081
  208    HB   VAL  28           HB       VAL  28  12.229  -5.839  -3.402
  209   1HG1  VAL  28          1HG1      VAL  28  12.230  -3.401  -4.184
  210   2HG1  VAL  28          2HG1      VAL  28  13.358  -4.476  -5.010
  211   3HG1  VAL  28          3HG1      VAL  28  13.942  -3.374  -3.764
  212   1HG2  VAL  28          1HG2      VAL  28  14.627  -6.241  -3.449
  213   2HG2  VAL  28          2HG2      VAL  28  14.065  -6.384  -1.783
  214   3HG2  VAL  28          3HG2      VAL  28  14.903  -4.924  -2.309
  215    H    TRP  29           H        TRP  29   9.745  -5.032  -1.533
  216    HA   TRP  29           HA       TRP  29  10.220  -7.543  -0.045
  217   1HB   TRP  29          2HB       TRP  29   8.721  -6.868   1.800
  218   2HB   TRP  29          1HB       TRP  29  10.136  -5.819   1.719
  219    HD1  TRP  29           HD       TRP  29   6.391  -5.874   0.957
  220    HE1  TRP  29           1HE      TRP  29   5.561  -3.445   0.704
  221    HE3  TRP  29           3HE      TRP  29  10.851  -3.396   1.146
  222    HZ2  TRP  29           2HZ      TRP  29   6.649  -0.801   0.595
  223    HZ3  TRP  29           3HZ      TRP  29  10.924  -0.924   0.964
  224    HH2  TRP  29           HH       TRP  29   8.832   0.374   0.690
  225    H    LYS  30           H        LYS  30   8.587  -9.025  -0.408
  226    HA   LYS  30           HA       LYS  30   6.055  -8.064  -1.641
  227   1HB   LYS  30          2HB       LYS  30   6.227  -9.919  -3.334
  228   2HB   LYS  30          1HB       LYS  30   7.421  -8.643  -3.551
  229   1HG   LYS  30          2HG       LYS  30   8.709 -10.596  -3.753
  230   2HG   LYS  30          1HG       LYS  30   8.966 -10.126  -2.075
  231   1HD   LYS  30          2HD       LYS  30   7.971 -12.010  -1.292
  232   2HD   LYS  30          1HD       LYS  30   6.605 -11.845  -2.391
  233   1HE   LYS  30          2HE       LYS  30   7.997 -12.771  -4.229
  234   2HE   LYS  30          1HE       LYS  30   9.324 -12.991  -3.089
  235   1HZ   LYS  30          1HZ       LYS  30   8.427 -14.884  -2.423
  236   2HZ   LYS  30          2HZ       LYS  30   7.202 -14.716  -3.588
  237   3HZ   LYS  30          3HZ       LYS  30   6.974 -14.108  -2.018
  238    H    THR  31           H        THR  31   4.315  -9.634  -1.438
  239    HA   THR  31           HA       THR  31   4.704 -11.390   0.923
  240    HB   THR  31           HB       THR  31   2.307 -11.384   1.120
  241    HG1  THR  31           1HG      THR  31   2.430 -11.099  -1.502
  242   1HG2  THR  31          1HG2      THR  31   2.954  -8.601   0.155
  243   2HG2  THR  31          2HG2      THR  31   3.661  -9.246   1.637
  244   3HG2  THR  31          3HG2      THR  31   1.910  -9.084   1.493
  245    H    LYS  32           H        LYS  32   3.187 -13.462   0.742
  246    HA   LYS  32           HA       LYS  32   4.328 -15.111  -1.324
  247   1HB   LYS  32          2HB       LYS  32   2.420 -16.719  -0.472
  248   2HB   LYS  32          1HB       LYS  32   3.779 -16.339   0.583
  249   1HG   LYS  32          2HG       LYS  32   1.496 -14.440   0.716
  250   2HG   LYS  32          1HG       LYS  32   1.175 -16.059   1.335
  251   1HD   LYS  32          2HD       LYS  32   3.035 -15.917   2.873
  252   2HD   LYS  32          1HD       LYS  32   3.567 -14.392   2.164
  253   1HE   LYS  32          2HE       LYS  32   2.378 -13.797   4.146
  254   2HE   LYS  32          1HE       LYS  32   1.277 -13.454   2.811
  255   1HZ   LYS  32          1HZ       LYS  32  -0.157 -14.943   3.574
  256   2HZ   LYS  32          2HZ       LYS  32   0.793 -15.079   4.976
  257   3HZ   LYS  32          3HZ       LYS  32   1.031 -16.148   3.677
  258    H    ASP  33           H        ASP  33   1.224 -13.470  -0.945
  259    HA   ASP  33           HA       ASP  33   0.742 -13.362  -3.757
  260   1HB   ASP  33          2HB       ASP  33  -1.312 -14.935  -3.686
  261   2HB   ASP  33          1HB       ASP  33   0.281 -15.686  -3.788
  262    H    CYS  34           H        CYS  34   0.389 -11.199  -2.712
  263    HA   CYS  34           HA       CYS  34  -2.433 -10.673  -2.423
  264   1HB   CYS  34          2HB       CYS  34  -1.818 -11.630  -0.147
  265   2HB   CYS  34          1HB       CYS  34  -0.794 -10.212   0.078
  266    H    GLU  35           H        GLU  35   0.897  -9.584  -2.026
  267    HA   GLU  35           HA       GLU  35   0.249  -7.098  -3.424
  268   1HB   GLU  35          2HB       GLU  35  -0.378  -6.442  -1.164
  269   2HB   GLU  35          1HB       GLU  35   1.149  -7.055  -0.528
  270   1HG   GLU  35          2HG       GLU  35   2.409  -5.374  -1.672
  271   2HG   GLU  35          1HG       GLU  35   1.015  -4.894  -2.639
  272    H    GLU  36           H        GLU  36   2.174  -5.972  -4.092
  273    HA   GLU  36           HA       GLU  36   4.781  -7.225  -3.441
  274   1HB   GLU  36          2HB       GLU  36   3.948  -6.809  -6.322
  275   2HB   GLU  36          1HB       GLU  36   5.365  -7.666  -5.717
  276   1HG   GLU  36          2HG       GLU  36   3.819  -9.321  -4.627
  277   2HG   GLU  36          1HG       GLU  36   2.471  -8.515  -5.430
  278    H    CYS  37           H        CYS  37   5.560  -5.309  -2.553
  279    HA   CYS  37           HA       CYS  37   5.473  -2.882  -4.297
  280   1HB   CYS  37          2HB       CYS  37   5.475  -3.261  -1.321
  281   2HB   CYS  37          1HB       CYS  37   6.124  -1.770  -2.007
  282    H    THR  38           H        THR  38   7.345  -2.340  -5.228
  283    HA   THR  38           HA       THR  38   9.905  -3.146  -3.897
  284    HB   THR  38           HB       THR  38  10.862  -3.607  -6.037
  285    HG1  THR  38           1HG      THR  38   9.295  -1.775  -6.874
  286   1HG2  THR  38          1HG2      THR  38   8.038  -4.657  -6.266
  287   2HG2  THR  38          2HG2      THR  38   9.195  -5.290  -5.095
  288   3HG2  THR  38          3HG2      THR  38   9.525  -5.423  -6.823
  289    H    CYS  39           H        CYS  39  11.662  -1.613  -4.205
  290    HA   CYS  39           HA       CYS  39  10.675   1.146  -4.817
  291   1HB   CYS  39          2HB       CYS  39  12.628   0.034  -2.845
  292   2HB   CYS  39          1HB       CYS  39  12.947   1.640  -3.499
  293    H    GLY  40           H        GLY  40  11.145   1.338  -7.004
  294   1HA   GLY  40          2HA       GLY  40  13.587   0.327  -8.184
  295   2HA   GLY  40          1HA       GLY  40  12.459   1.444  -8.955
  296    H    GLN  41           H        GLN  41  14.911   2.142  -9.517
  297    HA   GLN  41           HA       GLN  41  16.422   3.593  -7.613
  298   1HB   GLN  41          2HB       GLN  41  16.141   4.036 -10.596
  299   2HB   GLN  41          1HB       GLN  41  17.385   4.777  -9.589
  300   1HG   GLN  41          2HG       GLN  41  16.964   1.785  -9.829
  301   2HG   GLN  41          1HG       GLN  41  18.156   2.691 -10.760
  302   1HE2  GLN  41          1HE2      GLN  41  18.903   4.542  -8.622
  303   2HE2  GLN  41          2HE2      GLN  41  19.749   3.643  -7.457
  304    H    ASP  42           H        ASP  42  14.080   4.853  -9.991
  305    HA   ASP  42           HA       ASP  42  13.541   7.111  -8.100
  306   1HB   ASP  42          2HB       ASP  42  13.940   7.227 -11.101
  307   2HB   ASP  42          1HB       ASP  42  13.220   8.539 -10.168
  308    H    ALA  43           H        ALA  43  12.115   4.544  -8.620
  309    HA   ALA  43           HA       ALA  43   9.448   5.716  -8.986
  310   1HB   ALA  43          1HB       ALA  43  10.282   3.468 -10.834
  311   2HB   ALA  43          2HB       ALA  43  10.316   5.163 -11.321
  312   3HB   ALA  43          3HB       ALA  43   8.787   4.404 -10.877
  313    H    ILE  44           H        ILE  44   7.907   4.513  -7.897
  314    HA   ILE  44           HA       ILE  44   8.873   1.991  -6.604
  315    HB   ILE  44           HB       ILE  44   6.782   4.009  -5.735
  316   1HG1  ILE  44          2HG1      ILE  44   9.327   3.094  -4.363
  317   2HG1  ILE  44          1HG1      ILE  44   9.240   4.528  -5.385
  318   1HG2  ILE  44          1HG2      ILE  44   7.524   1.284  -4.650
  319   2HG2  ILE  44          2HG2      ILE  44   5.923   1.874  -5.097
  320   3HG2  ILE  44          3HG2      ILE  44   6.725   2.506  -3.659
  321   1HD1  ILE  44          1HD1      ILE  44   8.949   5.112  -2.998
  322   2HD1  ILE  44          2HD1      ILE  44   7.554   4.037  -2.912
  323   3HD1  ILE  44          3HD1      ILE  44   7.496   5.476  -3.929
  324    H    SER  45           H        SER  45   7.858   0.136  -7.199
  325    HA   SER  45           HA       SER  45   5.306   0.371  -8.746
  326   1HB   SER  45          2HB       SER  45   7.247  -0.641  -9.946
  327   2HB   SER  45          1HB       SER  45   7.321  -1.897  -8.713
  328    HG   SER  45           HG       SER  45   5.871  -2.869  -9.872
  329    H    CYS  46           H        CYS  46   3.553  -0.175  -7.556
  330    HA   CYS  46           HA       CYS  46   3.849  -2.361  -5.527
  331   1HB   CYS  46          2HB       CYS  46   2.455   0.293  -5.370
  332   2HB   CYS  46          1HB       CYS  46   1.821  -1.070  -4.447
  333    H    CYS  47           H        CYS  47   2.565  -4.075  -5.904
  334    HA   CYS  47           HA       CYS  47   0.285  -3.734  -7.817
  335   1HB   CYS  47          2HB       CYS  47   1.459  -6.403  -7.074
  336   2HB   CYS  47          1HB       CYS  47   0.649  -5.921  -8.564
  337    H    ASN  48           H        ASN  48  -1.732  -4.733  -7.277
  338    HA   ASN  48           HA       ASN  48  -1.985  -5.817  -4.515
  339   1HB   ASN  48          2HB       ASN  48  -4.143  -4.345  -4.385
  340   2HB   ASN  48          1HB       ASN  48  -2.582  -3.597  -4.046
  341   1HD2  ASN  48          1HD2      ASN  48  -4.320  -4.403  -7.114
  342   2HD2  ASN  48          2HD2      ASN  48  -4.160  -2.850  -7.779
  343    H    THR  49           H        THR  49  -2.865  -7.793  -4.890
  344    HA   THR  49           HA       THR  49  -4.823  -8.107  -7.114
  345    HB   THR  49           HB       THR  49  -4.502 -10.547  -6.704
  346    HG1  THR  49           1HG      THR  49  -2.722 -11.048  -5.274
  347   1HG2  THR  49          1HG2      THR  49  -2.081  -8.802  -7.164
  348   2HG2  THR  49          2HG2      THR  49  -3.085  -9.608  -8.369
  349   3HG2  THR  49          3HG2      THR  49  -2.020 -10.556  -7.331
  350    H    ALA  50           H        ALA  50  -4.749  -7.616  -3.767
  351    HA   ALA  50           HA       ALA  50  -6.983  -9.271  -2.985
  352   1HB   ALA  50          1HB       ALA  50  -7.060  -7.771  -0.987
  353   2HB   ALA  50          2HB       ALA  50  -5.848  -6.743  -1.753
  354   3HB   ALA  50          3HB       ALA  50  -5.443  -8.400  -1.306
  355    H    ALA  51           H        ALA  51  -9.139  -8.404  -2.376
  356    HA   ALA  51           HA       ALA  51 -10.432  -7.048  -4.486
  357   1HB   ALA  51          1HB       ALA  51 -12.333  -6.809  -2.961
  358   2HB   ALA  51          2HB       ALA  51 -11.286  -7.118  -1.575
  359   3HB   ALA  51          3HB       ALA  51 -11.599  -8.399  -2.747
  360    H    ILE  52           H        ILE  52 -11.454  -4.866  -4.412
  361    HA   ILE  52           HA       ILE  52  -9.633  -2.894  -3.102
  362    HB   ILE  52           HB       ILE  52 -11.502  -2.382  -5.420
  363   1HG1  ILE  52          2HG1      ILE  52  -9.974  -4.154  -6.103
  364   2HG1  ILE  52          1HG1      ILE  52  -9.473  -2.643  -6.861
  365   1HG2  ILE  52          1HG2      ILE  52  -9.984  -0.480  -5.813
  366   2HG2  ILE  52          2HG2      ILE  52  -9.016  -0.961  -4.421
  367   3HG2  ILE  52          3HG2      ILE  52 -10.676  -0.408  -4.193
  368   1HD1  ILE  52          1HD1      ILE  52  -7.461  -3.575  -6.030
  369   2HD1  ILE  52          2HD1      ILE  52  -8.214  -4.069  -4.515
  370   3HD1  ILE  52          3HD1      ILE  52  -7.901  -2.363  -4.828
  371    HA   PRO  53           HA       PRO  53 -13.154  -1.911  -0.496
  372   1HB   PRO  53          2HB       PRO  53 -12.178   0.761  -0.055
  373   2HB   PRO  53          1HB       PRO  53 -12.098  -0.626   1.033
  374   1HG   PRO  53          2HG       PRO  53  -9.954   0.593  -0.442
  375   2HG   PRO  53          1HG       PRO  53  -9.871  -0.773   0.675
  376   1HD   PRO  53          2HD       PRO  53  -9.590  -0.831  -2.184
  377   2HD   PRO  53          1HD       PRO  53  -9.576  -2.213  -1.061
  378    H    THR  54           H        THR  54 -15.162  -1.008  -0.938
  379    HA   THR  54           HA       THR  54 -15.322   1.314  -2.785
  380    HB   THR  54           HB       THR  54 -16.558   0.254  -4.424
  381    HG1  THR  54           1HG      THR  54 -18.212  -0.450  -3.107
  382   1HG2  THR  54          1HG2      THR  54 -15.593  -1.909  -4.933
  383   2HG2  THR  54          2HG2      THR  54 -15.121  -2.139  -3.250
  384   3HG2  THR  54          3HG2      THR  54 -14.338  -0.894  -4.225
  385    H    GLY  55           H        GLY  55 -17.758   1.981  -2.942
  386   1HA   GLY  55          2HA       GLY  55 -19.820   2.433  -1.873
  387   2HA   GLY  55          1HA       GLY  55 -19.413   1.229  -0.651
  388    H    TYR  56           H        TYR  56 -16.730   2.602  -0.263
  389    HA   TYR  56           HA       TYR  56 -17.642   4.420   1.825
  390   1HB   TYR  56          2HB       TYR  56 -15.573   4.094   2.697
  391   2HB   TYR  56          1HB       TYR  56 -15.382   2.867   1.449
  392    HD1  TYR  56           1HD      TYR  56 -14.694   6.394   2.348
  393    HD2  TYR  56           2HD      TYR  56 -13.961   3.231  -0.463
  394    HE1  TYR  56           1HE      TYR  56 -12.867   7.724   1.330
  395    HE2  TYR  56           2HE      TYR  56 -12.134   4.560  -1.482
  396    HH   TYR  56           HH       TYR  56 -11.764   7.646  -1.262
  397    H    ASP  57           H        ASP  57 -17.959   6.580   1.586
  398    HA   ASP  57           HA       ASP  57 -17.823   7.907  -0.906
  399   1HB   ASP  57          2HB       ASP  57 -17.538   9.284   1.774
  400   2HB   ASP  57          1HB       ASP  57 -18.260   9.929   0.300
  401    H    THR  58           H        THR  58 -16.109   8.662  -2.046
  402    HA   THR  58           HA       THR  58 -13.444   8.702  -0.749
  403    HB   THR  58           HB       THR  58 -12.535   8.679  -2.939
  404    HG1  THR  58           1HG      THR  58 -14.421   8.941  -4.634
  405   1HG2  THR  58          1HG2      THR  58 -13.922   6.634  -2.218
  406   2HG2  THR  58          2HG2      THR  58 -13.538   6.776  -3.933
  407   3HG2  THR  58          3HG2      THR  58 -15.142   7.216  -3.348
  408    H    ASN  59           H        ASN  59 -13.818  10.637   0.534
  409    HA   ASN  59           HA       ASN  59 -14.177  13.163  -1.002
  410   1HB   ASN  59          2HB       ASN  59 -14.295  12.485   1.943
  411   2HB   ASN  59          1HB       ASN  59 -14.276  14.150   1.361
  412   1HD2  ASN  59          1HD2      ASN  59 -15.871  11.492  -0.388
  413   2HD2  ASN  59          2HD2      ASN  59 -17.452  12.067  -0.162
  414    H    LYS  60           H        LYS  60 -12.081  12.006   1.669
  415    HA   LYS  60           HA       LYS  60  -9.724  13.121   0.290
  416   1HB   LYS  60          2HB       LYS  60 -10.686  14.146   2.978
  417   2HB   LYS  60          1HB       LYS  60  -9.081  14.458   2.316
  418   1HG   LYS  60          2HG       LYS  60 -10.278  15.388   0.248
  419   2HG   LYS  60          1HG       LYS  60 -11.751  15.359   1.219
  420   1HD   LYS  60          2HD       LYS  60 -10.617  16.765   2.931
  421   2HD   LYS  60          1HD       LYS  60  -9.194  16.847   1.892
  422   1HE   LYS  60          2HE       LYS  60 -10.770  17.754   0.078
  423   2HE   LYS  60          1HE       LYS  60 -11.948  17.975   1.371
  424   1HZ   LYS  60          1HZ       LYS  60 -10.842  19.990   1.294
  425   2HZ   LYS  60          2HZ       LYS  60  -9.324  19.276   1.018
  426   3HZ   LYS  60          3HZ       LYS  60 -10.044  19.182   2.554
  427    H    CYS  61           H        CYS  61  -9.960  10.526   0.580
  428    HA   CYS  61           HA       CYS  61  -8.157   9.858   2.866
  429   1HB   CYS  61          2HB       CYS  61 -10.593   8.261   2.014
  430   2HB   CYS  61          1HB       CYS  61  -9.424   7.767   3.237
  431    H    GLN  62           H        GLN  62  -7.294   7.497   2.456
  432    HA   GLN  62           HA       GLN  62  -6.881   7.076  -0.478
  433   1HB   GLN  62          2HB       GLN  62  -4.637   6.728   1.507
  434   2HB   GLN  62          1HB       GLN  62  -4.544   6.903  -0.245
  435   1HG   GLN  62          2HG       GLN  62  -3.891   9.022   0.541
  436   2HG   GLN  62          1HG       GLN  62  -5.595   9.245   0.149
  437   1HE2  GLN  62          1HE2      GLN  62  -4.117   7.650   3.018
  438   2HE2  GLN  62          2HE2      GLN  62  -4.851   8.676   4.153
  439    H    LYS  63           H        LYS  63  -5.716   4.866  -0.782
  440    HA   LYS  63           HA       LYS  63  -6.950   2.882   1.101
  441   1HB   LYS  63          2HB       LYS  63  -6.275   2.143  -1.724
  442   2HB   LYS  63          1HB       LYS  63  -7.573   1.547  -0.689
  443   1HG   LYS  63          2HG       LYS  63  -8.736   3.724  -0.912
  444   2HG   LYS  63          1HG       LYS  63  -7.450   4.290  -1.979
  445   1HD   LYS  63          2HD       LYS  63  -7.945   2.374  -3.512
  446   2HD   LYS  63          1HD       LYS  63  -9.317   1.956  -2.484
  447   1HE   LYS  63          2HE       LYS  63  -9.928   3.370  -4.479
  448   2HE   LYS  63          1HE       LYS  63 -10.384   4.079  -2.930
  449   1HZ   LYS  63          1HZ       LYS  63  -9.302   5.675  -4.420
  450   2HZ   LYS  63          2HZ       LYS  63  -7.898   4.718  -4.424
  451   3HZ   LYS  63          3HZ       LYS  63  -8.427   5.451  -2.985
  452    H    ILE  64           H        ILE  64  -5.604   1.243   1.854
  453    HA   ILE  64           HA       ILE  64  -2.877   1.021   0.686
  454    HB   ILE  64           HB       ILE  64  -3.029   2.598   2.751
  455   1HG1  ILE  64          2HG1      ILE  64  -0.924   1.317   3.739
  456   2HG1  ILE  64          1HG1      ILE  64  -1.128   0.310   2.306
  457   1HG2  ILE  64          1HG2      ILE  64  -2.975  -0.016   4.256
  458   2HG2  ILE  64          2HG2      ILE  64  -4.488   0.838   3.957
  459   3HG2  ILE  64          3HG2      ILE  64  -3.209   1.614   4.888
  460   1HD1  ILE  64          1HD1      ILE  64  -1.235   2.565   1.010
  461   2HD1  ILE  64          2HD1      ILE  64   0.337   2.002   1.573
  462   3HD1  ILE  64          3HD1      ILE  64  -0.521   3.259   2.465
  463    H    LEU  65           H        LEU  65  -2.145  -1.076   0.644
  464    HA   LEU  65           HA       LEU  65  -3.982  -3.146   1.722
  465   1HB   LEU  65          2HB       LEU  65  -3.004  -3.064  -0.711
  466   2HB   LEU  65          1HB       LEU  65  -1.550  -3.718   0.037
  467    HG   LEU  65           HG       LEU  65  -4.275  -4.971   0.457
  468   1HD1  LEU  65          1HD1      LEU  65  -4.055  -5.177  -1.870
  469   2HD1  LEU  65          2HD1      LEU  65  -3.321  -6.667  -1.278
  470   3HD1  LEU  65          3HD1      LEU  65  -2.300  -5.324  -1.790
  471   1HD2  LEU  65          1HD2      LEU  65  -2.714  -5.753   2.069
  472   2HD2  LEU  65          2HD2      LEU  65  -1.399  -5.806   0.895
  473   3HD2  LEU  65          3HD2      LEU  65  -2.703  -6.990   0.814
  474    H    ASN  66           H        ASN  66  -3.494  -3.960   3.694
  475    HA   ASN  66           HA       ASN  66  -0.846  -3.558   4.868
  476   1HB   ASN  66          2HB       ASN  66  -3.077  -3.518   6.127
  477   2HB   ASN  66          1HB       ASN  66  -3.077  -5.276   5.978
  478   1HD2  ASN  66          1HD2      ASN  66   0.118  -4.709   6.104
  479   2HD2  ASN  66          2HD2      ASN  66   0.381  -4.725   7.780
  480    H    LYS  67           H        LYS  67   0.782  -4.860   4.150
  481    HA   LYS  67           HA       LYS  67   0.273  -7.530   3.112
  482   1HB   LYS  67          2HB       LYS  67   2.822  -7.648   3.108
  483   2HB   LYS  67          1HB       LYS  67   2.114  -6.357   2.138
  484   1HG   LYS  67          2HG       LYS  67   2.614  -5.584   4.943
  485   2HG   LYS  67          1HG       LYS  67   4.078  -6.001   4.053
  486   1HD   LYS  67          2HD       LYS  67   3.391  -4.430   2.244
  487   2HD   LYS  67          1HD       LYS  67   1.993  -3.966   3.211
  488   1HE   LYS  67          2HE       LYS  67   4.798  -3.790   4.312
  489   2HE   LYS  67          1HE       LYS  67   4.087  -2.471   3.383
  490   1HZ   LYS  67          1HZ       LYS  67   3.279  -3.542   6.000
  491   2HZ   LYS  67          2HZ       LYS  67   2.124  -2.782   5.012
  492   3HZ   LYS  67          3HZ       LYS  67   3.502  -1.929   5.523
  493    H    LYS  68           H        LYS  68   0.809  -6.215   6.233
  494    HA   LYS  68           HA       LYS  68   2.194  -8.286   7.553
  495   1HB   LYS  68          2HB       LYS  68   1.384  -6.048   8.516
  496   2HB   LYS  68          1HB       LYS  68  -0.175  -6.840   8.753
  497   1HG   LYS  68          2HG       LYS  68   0.851  -8.539  10.164
  498   2HG   LYS  68          1HG       LYS  68   2.454  -7.878   9.848
  499   1HD   LYS  68          2HD       LYS  68   1.666  -5.701  10.854
  500   2HD   LYS  68          1HD       LYS  68   0.186  -6.532  11.337
  501   1HE   LYS  68          2HE       LYS  68   2.963  -7.467  12.108
  502   2HE   LYS  68          1HE       LYS  68   1.952  -6.452  13.136
  503   1HZ   LYS  68          1HZ       LYS  68   1.165  -8.387  13.888
  504   2HZ   LYS  68          2HZ       LYS  68   1.746  -9.267  12.556
  505   3HZ   LYS  68          3HZ       LYS  68   0.269  -8.434  12.448
  506    H    THR  69           H        THR  69  -1.290  -7.965   6.889
  507    HA   THR  69           HA       THR  69  -1.539 -10.920   7.284
  508    HB   THR  69           HB       THR  69  -3.901 -10.381   8.123
  509    HG1  THR  69           1HG      THR  69  -4.011  -8.252   9.052
  510   1HG2  THR  69          1HG2      THR  69  -1.417  -9.638   9.677
  511   2HG2  THR  69          2HG2      THR  69  -2.290 -11.171   9.697
  512   3HG2  THR  69          3HG2      THR  69  -3.012  -9.736  10.423
  513    H    CYS  70           H        CYS  70  -1.306  -8.951   4.921
  514    HA   CYS  70           HA       CYS  70  -2.290  -8.687   2.804
  515   1HB   CYS  70          2HB       CYS  70  -1.900 -11.032   2.551
  516   2HB   CYS  70          1HB       CYS  70  -3.230 -11.442   3.633
  517    H    THR  71           H        THR  71  -3.633  -6.935   3.850
  518    HA   THR  71           HA       THR  71  -6.507  -7.570   3.471
  519    HB   THR  71           HB       THR  71  -7.207  -6.874   5.587
  520    HG1  THR  71           1HG      THR  71  -5.087  -5.893   6.784
  521   1HG2  THR  71          1HG2      THR  71  -4.456  -8.016   6.150
  522   2HG2  THR  71          2HG2      THR  71  -5.872  -8.979   5.727
  523   3HG2  THR  71          3HG2      THR  71  -5.850  -8.055   7.228
  524    H    TYR  72           H        TYR  72  -7.800  -5.431   3.592
  525    HA   TYR  72           HA       TYR  72  -6.181  -3.275   2.287
  526   1HB   TYR  72          2HB       TYR  72  -8.597  -4.603   1.503
  527   2HB   TYR  72          1HB       TYR  72  -8.996  -2.922   1.851
  528    HD1  TYR  72           1HD      TYR  72  -7.452  -1.105   0.816
  529    HD2  TYR  72           2HD      TYR  72  -7.593  -5.178  -0.542
  530    HE1  TYR  72           1HE      TYR  72  -6.462  -0.417  -1.351
  531    HE2  TYR  72           2HE      TYR  72  -6.602  -4.489  -2.708
  532    HH   TYR  72           HH       TYR  72  -5.823  -2.810  -3.922
  533    H    THR  73           H        THR  73  -6.303  -1.205   3.147
  534    HA   THR  73           HA       THR  73  -8.313  -0.688   5.281
  535    HB   THR  73           HB       THR  73  -6.796  -0.605   6.956
  536    HG1  THR  73           1HG      THR  73  -6.156   1.431   6.400
  537   1HG2  THR  73          1HG2      THR  73  -5.856  -2.557   5.774
  538   2HG2  THR  73          2HG2      THR  73  -4.593  -1.638   6.591
  539   3HG2  THR  73          3HG2      THR  73  -4.803  -1.488   4.847
  540    H    VAL  74           H        VAL  74  -8.793   1.546   5.533
  541    HA   VAL  74           HA       VAL  74  -7.757   3.274   3.314
  542    HB   VAL  74           HB       VAL  74 -10.281   3.855   4.850
  543   1HG1  VAL  74          1HG1      VAL  74 -10.906   4.974   2.807
  544   2HG1  VAL  74          2HG1      VAL  74  -9.564   4.240   1.930
  545   3HG1  VAL  74          3HG1      VAL  74  -9.248   5.450   3.173
  546   1HG2  VAL  74          1HG2      VAL  74 -10.590   1.546   4.218
  547   2HG2  VAL  74          2HG2      VAL  74  -9.929   1.844   2.610
  548   3HG2  VAL  74          3HG2      VAL  74 -11.489   2.530   3.063
  549    H    VAL  75           H        VAL  75  -6.362   4.806   4.010
  550    HA   VAL  75           HA       VAL  75  -6.564   5.731   6.850
  551    HB   VAL  75           HB       VAL  75  -4.161   6.568   6.313
  552   1HG1  VAL  75          1HG1      VAL  75  -3.237   4.304   6.794
  553   2HG1  VAL  75          2HG1      VAL  75  -4.820   3.609   6.447
  554   3HG1  VAL  75          3HG1      VAL  75  -4.617   4.694   7.821
  555   1HG2  VAL  75          1HG2      VAL  75  -4.570   6.102   3.809
  556   2HG2  VAL  75          2HG2      VAL  75  -4.346   4.401   4.211
  557   3HG2  VAL  75          3HG2      VAL  75  -3.037   5.550   4.481
  558    H    GLU  76           H        GLU  76  -5.633   8.093   7.025
  559    HA   GLU  76           HA       GLU  76  -7.022   9.728   4.938
  560   1HB   GLU  76          2HB       GLU  76  -6.514  10.159   7.883
  561   2HB   GLU  76          1HB       GLU  76  -6.945  11.498   6.818
  562   1HG   GLU  76          2HG       GLU  76  -9.031  10.458   6.222
  563   2HG   GLU  76          1HG       GLU  76  -8.576   8.954   7.022
  564    H    LYS  77           H        LYS  77  -5.926  11.496   4.038
  565    HA   LYS  77           HA       LYS  77  -3.105  11.285   3.736
  566   1HB   LYS  77          2HB       LYS  77  -5.216  13.212   2.961
  567   2HB   LYS  77          1HB       LYS  77  -3.599  13.903   3.083
  568   1HG   LYS  77          2HG       LYS  77  -4.008  11.314   1.600
  569   2HG   LYS  77          1HG       LYS  77  -4.376  12.845   0.809
  570   1HD   LYS  77          2HD       LYS  77  -2.079  13.644   1.341
  571   2HD   LYS  77          1HD       LYS  77  -1.718  12.066   2.043
  572   1HE   LYS  77          2HE       LYS  77  -0.897  12.056  -0.229
  573   2HE   LYS  77          1HE       LYS  77  -2.330  11.029  -0.174
  574   1HZ   LYS  77          1HZ       LYS  77  -2.028  12.907  -1.981
  575   2HZ   LYS  77          2HZ       LYS  77  -2.724  13.863  -0.760
  576   3HZ   LYS  77          3HZ       LYS  77  -3.553  12.505  -1.356
  577    H    LYS  78           H        LYS  78  -5.045  12.980   6.119
  578    HA   LYS  78           HA       LYS  78  -2.512  14.066   7.303
  579   1HB   LYS  78          2HB       LYS  78  -5.265  15.231   7.044
  580   2HB   LYS  78          1HB       LYS  78  -4.280  15.684   8.434
  581   1HG   LYS  78          2HG       LYS  78  -3.051  15.780   5.694
  582   2HG   LYS  78          1HG       LYS  78  -4.136  17.080   6.189
  583   1HD   LYS  78          2HD       LYS  78  -2.762  17.451   8.214
  584   2HD   LYS  78          1HD       LYS  78  -1.665  16.172   7.697
  585   1HE   LYS  78          2HE       LYS  78  -2.284  18.550   5.941
  586   2HE   LYS  78          1HE       LYS  78  -0.971  18.573   7.117
  587   1HZ   LYS  78          1HZ       LYS  78  -0.332  17.867   4.824
  588   2HZ   LYS  78          2HZ       LYS  78  -1.267  16.467   5.051
  589   3HZ   LYS  78          3HZ       LYS  78   0.078  16.763   6.046
  590    H    ASP  79           H        ASP  79  -4.473  11.553   7.696
  591    HA   ASP  79           HA       ASP  79  -4.056  11.539  10.625
  592   1HB   ASP  79          2HB       ASP  79  -6.630  11.950   9.350
  593   2HB   ASP  79          1HB       ASP  79  -6.647  10.454  10.278
  594    HA   PRO  80           HA       PRO  80  -3.246   7.534   8.323
  595   1HB   PRO  80          2HB       PRO  80  -0.709   7.428   9.682
  596   2HB   PRO  80          1HB       PRO  80  -1.017   7.649   7.958
  597   1HG   PRO  80          2HG       PRO  80  -0.016   9.585   9.779
  598   2HG   PRO  80          1HG       PRO  80  -0.475   9.843   8.093
  599   1HD   PRO  80          2HD       PRO  80  -1.885  10.679  10.519
  600   2HD   PRO  80          1HD       PRO  80  -2.201  11.139   8.828
  601    H    GLY  81           H        GLY  81  -3.425   8.591  11.578
  602   1HA   GLY  81          2HA       GLY  81  -3.109   5.865  12.698
  603   2HA   GLY  81          1HA       GLY  81  -3.343   7.343  13.631
  604    H    LYS  82           H        LYS  82  -5.562   7.816  11.404
  605    HA   LYS  82           HA       LYS  82  -7.655   6.200  12.820
  606   1HB   LYS  82          2HB       LYS  82  -7.689   9.053  11.819
  607   2HB   LYS  82          1HB       LYS  82  -9.175   8.166  12.162
  608   1HG   LYS  82          2HG       LYS  82  -8.297   7.706  14.469
  609   2HG   LYS  82          1HG       LYS  82  -6.929   8.760  14.109
  610   1HD   LYS  82          2HD       LYS  82  -8.339  10.671  13.865
  611   2HD   LYS  82          1HD       LYS  82  -9.797   9.679  13.835
  612   1HE   LYS  82          2HE       LYS  82  -9.388   8.999  16.170
  613   2HE   LYS  82          1HE       LYS  82  -7.928   9.987  16.204
  614   1HZ   LYS  82          1HZ       LYS  82 -10.742  10.852  16.045
  615   2HZ   LYS  82          2HZ       LYS  82  -9.496  11.868  15.497
  616   3HZ   LYS  82          3HZ       LYS  82  -9.531  11.359  17.118
  617    H    THR  83           H        THR  83  -8.706   4.815  11.495
  618    HA   THR  83           HA       THR  83  -8.193   4.746   8.659
  619    HB   THR  83           HB       THR  83 -10.094   3.031   8.699
  620    HG1  THR  83           1HG      THR  83  -9.835   3.117  11.478
  621   1HG2  THR  83          1HG2      THR  83  -7.672   2.811  10.493
  622   2HG2  THR  83          2HG2      THR  83  -7.849   2.231   8.837
  623   3HG2  THR  83          3HG2      THR  83  -8.723   1.439  10.147
  624    H    CYS  84           H        CYS  84  -9.639   5.248   6.940
  625    HA   CYS  84           HA       CYS  84 -11.430   7.495   7.504
  626   1HB   CYS  84          2HB       CYS  84  -9.933   7.278   5.454
  627   2HB   CYS  84          1HB       CYS  84 -11.057   6.054   4.867
  628    H    ASP  85           H        ASP  85 -13.609   7.288   6.014
  629    HA   ASP  85           HA       ASP  85 -15.271   5.410   7.407
  630   1HB   ASP  85          2HB       ASP  85 -16.000   7.600   6.323
  631   2HB   ASP  85          1HB       ASP  85 -15.947   6.748   4.779
  632    H    VAL  86           H        VAL  86 -16.207   3.464   6.670
  633    HA   VAL  86           HA       VAL  86 -15.092   2.338   4.132
  634    HB   VAL  86           HB       VAL  86 -15.541   0.648   6.590
  635   1HG1  VAL  86          1HG1      VAL  86 -13.804  -0.748   5.447
  636   2HG1  VAL  86          2HG1      VAL  86 -13.816   0.398   4.108
  637   3HG1  VAL  86          3HG1      VAL  86 -15.264  -0.536   4.481
  638   1HG2  VAL  86          1HG2      VAL  86 -13.992   2.282   7.389
  639   2HG2  VAL  86          2HG2      VAL  86 -13.118   2.306   5.858
  640   3HG2  VAL  86          3HG2      VAL  86 -13.014   0.895   6.912
  641    H    THR  87           H        THR  87 -16.426   0.347   3.456
  642    HA   THR  87           HA       THR  87 -19.216   0.384   4.429
  643    HB   THR  87           HB       THR  87 -18.646   0.762   1.486
  644    HG1  THR  87           1HG      THR  87 -19.252   2.932   1.865
  645   1HG2  THR  87          1HG2      THR  87 -21.157   1.263   3.098
  646   2HG2  THR  87          2HG2      THR  87 -20.822  -0.261   2.276
  647   3HG2  THR  87          3HG2      THR  87 -21.001   1.224   1.342
  648    H    GLY  88           H        GLY  88 -16.925  -0.935   2.049
  649   1HA   GLY  88          2HA       GLY  88 -17.166  -3.620   2.830
  650   2HA   GLY  88          1HA       GLY  88 -18.404  -3.367   1.599
  651    H    TRP  89           H        TRP  89 -16.538  -5.138   0.882
  652    HA   TRP  89           HA       TRP  89 -14.665  -3.618  -0.898
  653   1HB   TRP  89          2HB       TRP  89 -14.186  -6.491  -0.186
  654   2HB   TRP  89          1HB       TRP  89 -13.021  -5.224  -0.573
  655    HD1  TRP  89           HD       TRP  89 -13.770  -3.012   1.450
  656    HE1  TRP  89           1HE      TRP  89 -13.431  -3.354   3.982
  657    HE3  TRP  89           3HE      TRP  89 -13.682  -8.112   1.644
  658    HZ2  TRP  89           2HZ      TRP  89 -13.158  -5.509   5.844
  659    HZ3  TRP  89           3HZ      TRP  89 -13.382  -9.283   3.807
  660    HH2  TRP  89           HH       TRP  89 -13.120  -7.991   5.906
  661    H    VAL  90           H        VAL  90 -14.127  -4.915  -2.934
  662    HA   VAL  90           HA       VAL  90 -16.364  -6.665  -3.818
  663    HB   VAL  90           HB       VAL  90 -15.414  -4.208  -5.318
  664   1HG1  VAL  90          1HG1      VAL  90 -17.357  -6.423  -6.014
  665   2HG1  VAL  90          2HG1      VAL  90 -15.917  -5.935  -6.908
  666   3HG1  VAL  90          3HG1      VAL  90 -17.325  -4.874  -6.858
  667   1HG2  VAL  90          1HG2      VAL  90 -16.916  -3.656  -3.459
  668   2HG2  VAL  90          2HG2      VAL  90 -18.059  -4.888  -3.993
  669   3HG2  VAL  90          3HG2      VAL  90 -17.769  -3.463  -4.990
  670    H    LEU  91           H        LEU  91 -15.159  -8.484  -4.216
  671    HA   LEU  91           HA       LEU  91 -12.475  -8.297  -5.380
  672   1HB   LEU  91          2HB       LEU  91 -12.980 -10.049  -3.733
  673   2HB   LEU  91          1HB       LEU  91 -14.234 -10.698  -4.788
  674    HG   LEU  91           HG       LEU  91 -11.603 -10.394  -6.104
  675   1HD1  LEU  91          1HD1      LEU  91 -10.683 -11.072  -4.006
  676   2HD1  LEU  91          2HD1      LEU  91 -10.775 -12.536  -4.986
  677   3HD1  LEU  91          3HD1      LEU  91 -11.980 -12.235  -3.733
  678   1HD2  LEU  91          1HD2      LEU  91 -12.178 -12.678  -6.886
  679   2HD2  LEU  91          2HD2      LEU  91 -13.512 -11.554  -7.143
  680   3HD2  LEU  91          3HD2      LEU  91 -13.565 -12.693  -5.798
  Start of MODEL   13
    1   1H    GLN   1          1HT       GLN   1  -3.385  -7.011 -11.977
    2   2H    GLN   1          2HT       GLN   1  -1.724  -7.331 -12.151
    3   3H    GLN   1          3HT       GLN   1  -2.754  -7.409 -13.501
    4    HA   GLN   1           HA       GLN   1  -1.807  -5.371 -13.831
    5   1HB   GLN   1          2HB       GLN   1  -4.443  -5.421 -13.161
    6   2HB   GLN   1          1HB       GLN   1  -3.849  -4.267 -11.969
    7   1HG   GLN   1          2HG       GLN   1  -2.754  -2.989 -13.827
    8   2HG   GLN   1          1HG       GLN   1  -3.507  -4.094 -14.978
    9   1HE2  GLN   1          1HE2      GLN   1  -4.425  -1.920 -12.244
   10   2HE2  GLN   1          2HE2      GLN   1  -5.915  -1.464 -12.918
   11    H    CYS   2           H        CYS   2  -1.546  -3.057 -12.524
   12    HA   CYS   2           HA       CYS   2  -0.632  -3.347  -9.781
   13   1HB   CYS   2          2HB       CYS   2   1.210  -4.443 -11.151
   14   2HB   CYS   2          1HB       CYS   2   1.510  -2.858 -11.864
   15    H    TYR   3           H        TYR   3   0.621  -1.247  -9.160
   16    HA   TYR   3           HA       TYR   3  -0.437   1.056 -10.758
   17   1HB   TYR   3          2HB       TYR   3  -1.547   0.391  -8.420
   18   2HB   TYR   3          1HB       TYR   3  -0.170   1.286  -7.781
   19    HD1  TYR   3           1HD      TYR   3   0.139   3.680  -8.325
   20    HD2  TYR   3           2HD      TYR   3  -3.317   1.498  -9.644
   21    HE1  TYR   3           1HE      TYR   3  -1.016   5.815  -8.835
   22    HE2  TYR   3           2HE      TYR   3  -4.470   3.633 -10.154
   23    HH   TYR   3           HH       TYR   3  -2.846   6.768  -9.634
   24    H    PHE   4           H        PHE   4   0.779   3.139 -10.108
   25    HA   PHE   4           HA       PHE   4   3.599   2.565  -9.318
   26   1HB   PHE   4          2HB       PHE   4   2.600   3.708 -11.899
   27   2HB   PHE   4          1HB       PHE   4   4.080   4.387 -11.218
   28    HD1  PHE   4           1HD      PHE   4   2.562   1.512 -12.858
   29    HD2  PHE   4           2HD      PHE   4   6.038   2.898 -10.749
   30    HE1  PHE   4           1HE      PHE   4   3.846  -0.438 -13.693
   31    HE2  PHE   4           2HE      PHE   4   7.323   0.949 -11.585
   32    HZ   PHE   4           HZ       PHE   4   6.226  -0.720 -13.058
   33    H    ILE   5           H        ILE   5   4.443   4.122  -7.997
   34    HA   ILE   5           HA       ILE   5   3.053   6.753  -7.811
   35    HB   ILE   5           HB       ILE   5   3.689   4.864  -5.541
   36   1HG1  ILE   5          2HG1      ILE   5   1.505   4.566  -6.677
   37   2HG1  ILE   5          1HG1      ILE   5   1.302   5.137  -5.023
   38   1HG2  ILE   5          1HG2      ILE   5   4.431   6.959  -4.726
   39   2HG2  ILE   5          2HG2      ILE   5   2.777   6.817  -4.129
   40   3HG2  ILE   5          3HG2      ILE   5   3.124   7.829  -5.532
   41   1HD1  ILE   5          1HD1      ILE   5   1.377   7.526  -6.251
   42   2HD1  ILE   5          2HD1      ILE   5  -0.118   6.608  -6.086
   43   3HD1  ILE   5          3HD1      ILE   5   0.785   6.555  -7.598
   44    HA   PRO   6           HA       PRO   6   7.555   7.480  -8.189
   45   1HB   PRO   6          2HB       PRO   6   6.974  10.292  -8.425
   46   2HB   PRO   6          1HB       PRO   6   7.508   9.175  -9.684
   47   1HG   PRO   6          2HG       PRO   6   4.923  10.353  -9.383
   48   2HG   PRO   6          1HG       PRO   6   5.443   9.188 -10.603
   49   1HD   PRO   6          2HD       PRO   6   3.681   8.751  -8.346
   50   2HD   PRO   6          1HD       PRO   6   4.144   7.596  -9.621
   51    H    ASN   7           H        ASN   7   8.663   7.466  -6.281
   52    HA   ASN   7           HA       ASN   7   7.756   8.405  -3.795
   53   1HB   ASN   7          2HB       ASN   7   9.740   6.908  -4.176
   54   2HB   ASN   7          1HB       ASN   7  10.651   8.328  -4.689
   55   1HD2  ASN   7          1HD2      ASN   7  11.453   6.844  -2.384
   56   2HD2  ASN   7          2HD2      ASN   7  11.201   7.805  -1.008
   57    H    GLN   8           H        GLN   8   7.602  10.413  -2.897
   58    HA   GLN   8           HA       GLN   8   8.532  12.725  -4.508
   59   1HB   GLN   8          2HB       GLN   8   6.946  12.855  -1.939
   60   2HB   GLN   8          1HB       GLN   8   7.019  14.042  -3.241
   61   1HG   GLN   8          2HG       GLN   8   4.947  12.962  -3.586
   62   2HG   GLN   8          1HG       GLN   8   6.028  12.172  -4.734
   63   1HE2  GLN   8          1HE2      GLN   8   6.165   9.919  -4.584
   64   2HE2  GLN   8          2HE2      GLN   8   5.618   9.004  -3.262
   65    H    SER   9           H        SER   9   9.675  10.805  -2.018
   66    HA   SER   9           HA       SER   9  10.825  12.746  -0.248
   67   1HB   SER   9          2HB       SER   9  11.540   9.886  -0.913
   68   2HB   SER   9          1HB       SER   9  12.450  10.827   0.266
   69    HG   SER   9           HG       SER   9  10.157  11.270   1.087
   70    H    LEU  10           H        LEU  10  12.955  13.613  -0.223
   71    HA   LEU  10           HA       LEU  10  14.209  13.782  -2.912
   72   1HB   LEU  10          2HB       LEU  10  14.436  15.418  -0.382
   73   2HB   LEU  10          1HB       LEU  10  15.589  15.602  -1.704
   74    HG   LEU  10           HG       LEU  10  12.659  15.676  -2.350
   75   1HD1  LEU  10          1HD1      LEU  10  12.646  18.122  -1.914
   76   2HD1  LEU  10          2HD1      LEU  10  14.238  17.983  -1.171
   77   3HD1  LEU  10          3HD1      LEU  10  12.849  17.190  -0.431
   78   1HD2  LEU  10          1HD2      LEU  10  14.576  15.750  -4.046
   79   2HD2  LEU  10          2HD2      LEU  10  14.961  17.342  -3.396
   80   3HD2  LEU  10          3HD2      LEU  10  13.399  17.057  -4.162
   81    H    LYS  11           H        LYS  11  14.890  12.765   0.398
   82    HA   LYS  11           HA       LYS  11  17.646  12.383   0.326
   83   1HB   LYS  11          2HB       LYS  11  15.412  10.845   1.613
   84   2HB   LYS  11          1HB       LYS  11  17.064  10.244   1.740
   85   1HG   LYS  11          2HG       LYS  11  16.528  13.134   2.358
   86   2HG   LYS  11          1HG       LYS  11  16.103  11.916   3.559
   87   1HD   LYS  11          2HD       LYS  11  18.414  11.034   3.479
   88   2HD   LYS  11          1HD       LYS  11  18.841  12.278   2.303
   89   1HE   LYS  11          2HE       LYS  11  18.095  14.003   4.001
   90   2HE   LYS  11          1HE       LYS  11  17.968  12.691   5.172
   91   1HZ   LYS  11          1HZ       LYS  11  20.224  12.334   5.157
   92   2HZ   LYS  11          2HZ       LYS  11  20.156  14.022   4.982
   93   3HZ   LYS  11          3HZ       LYS  11  20.448  13.036   3.629
   94    HA   PRO  12           HA       PRO  12  17.721   9.592  -3.266
   95   1HB   PRO  12          2HB       PRO  12  20.565   9.295  -2.903
   96   2HB   PRO  12          1HB       PRO  12  19.711  10.227  -4.133
   97   1HG   PRO  12          2HG       PRO  12  21.202  11.225  -1.909
   98   2HG   PRO  12          1HG       PRO  12  20.304  12.153  -3.114
   99   1HD   PRO  12          2HD       PRO  12  19.626  11.702  -0.334
  100   2HD   PRO  12          1HD       PRO  12  18.759  12.695  -1.534
  101    H    ASN  13           H        ASN  13  16.966   8.491  -0.737
  102    HA   ASN  13           HA       ASN  13  17.754   5.766  -1.080
  103   1HB   ASN  13          2HB       ASN  13  18.937   5.583   1.193
  104   2HB   ASN  13          1HB       ASN  13  19.868   6.294  -0.125
  105   1HD2  ASN  13          1HD2      ASN  13  18.010   7.109   2.812
  106   2HD2  ASN  13          2HD2      ASN  13  18.688   8.653   3.009
  107    H    GLU  14           H        GLU  14  15.273   6.834  -0.889
  108    HA   GLU  14           HA       GLU  14  14.324   5.798   1.742
  109   1HB   GLU  14          2HB       GLU  14  13.707   8.462   0.476
  110   2HB   GLU  14          1HB       GLU  14  12.531   7.688   1.538
  111   1HG   GLU  14          2HG       GLU  14  14.340   7.488   3.274
  112   2HG   GLU  14          1HG       GLU  14  15.375   8.460   2.228
  113    H    CYS  15           H        CYS  15  11.812   5.583   1.592
  114    HA   CYS  15           HA       CYS  15  10.790   5.041  -1.106
  115   1HB   CYS  15          2HB       CYS  15  11.714   2.881   0.735
  116   2HB   CYS  15          1HB       CYS  15  10.201   2.604  -0.129
  117    H    GLN  16           H        GLN  16   9.361   6.740  -0.147
  118    HA   GLN  16           HA       GLN  16   7.441   5.663   1.872
  119   1HB   GLN  16          2HB       GLN  16   6.815   7.949   2.301
  120   2HB   GLN  16          1HB       GLN  16   8.577   7.887   2.281
  121   1HG   GLN  16          2HG       GLN  16   8.196   9.729   0.910
  122   2HG   GLN  16          1HG       GLN  16   8.261   8.437  -0.288
  123   1HE2  GLN  16          1HE2      GLN  16   6.445   8.225  -1.624
  124   2HE2  GLN  16          2HE2      GLN  16   4.939   8.949  -1.326
  125    H    ASP  17           H        ASP  17   5.125   6.086   1.462
  126    HA   ASP  17           HA       ASP  17   4.402   6.566  -1.377
  127   1HB   ASP  17          2HB       ASP  17   4.723   4.016  -0.708
  128   2HB   ASP  17          1HB       ASP  17   3.127   4.228   0.013
  129    H    LEU  18           H        LEU  18   2.458   7.655  -1.540
  130    HA   LEU  18           HA       LEU  18   0.598   8.883  -0.802
  131   1HB   LEU  18          2HB       LEU  18   0.271   6.759   1.322
  132   2HB   LEU  18          1HB       LEU  18  -0.983   7.696   0.510
  133    HG   LEU  18           HG       LEU  18   0.752   5.529  -0.701
  134   1HD1  LEU  18          1HD1      LEU  18  -1.286   4.907   0.680
  135   2HD1  LEU  18          2HD1      LEU  18  -1.318   4.342  -0.989
  136   3HD1  LEU  18          3HD1      LEU  18  -2.262   5.753  -0.519
  137   1HD2  LEU  18          1HD2      LEU  18  -0.727   6.023  -2.751
  138   2HD2  LEU  18          2HD2      LEU  18   0.559   7.179  -2.408
  139   3HD2  LEU  18          3HD2      LEU  18  -1.105   7.556  -1.964
  140    H    LYS  19           H        LYS  19  -0.276   8.739   2.097
  141    HA   LYS  19           HA       LYS  19   1.904  10.467   3.213
  142   1HB   LYS  19          2HB       LYS  19  -0.622  11.279   2.658
  143   2HB   LYS  19          1HB       LYS  19  -0.866  10.678   4.297
  144   1HG   LYS  19          2HG       LYS  19  -0.238  12.883   4.721
  145   2HG   LYS  19          1HG       LYS  19   1.323  12.068   4.814
  146   1HD   LYS  19          2HD       LYS  19   1.554  12.578   2.304
  147   2HD   LYS  19          1HD       LYS  19   0.195  13.680   2.520
  148   1HE   LYS  19          2HE       LYS  19   1.478  14.812   4.354
  149   2HE   LYS  19          1HE       LYS  19   2.859  13.789   3.960
  150   1HZ   LYS  19          1HZ       LYS  19   2.517  14.667   1.597
  151   2HZ   LYS  19          2HZ       LYS  19   3.229  15.705   2.739
  152   3HZ   LYS  19          3HZ       LYS  19   1.592  15.890   2.322
  153    H    GLY  20           H        GLY  20   0.675   7.449   3.474
  154   1HA   GLY  20          2HA       GLY  20   0.839   7.365   6.455
  155   2HA   GLY  20          1HA       GLY  20   0.096   6.124   5.449
  156    H    VAL  21           H        VAL  21   2.105   5.753   3.528
  157    HA   VAL  21           HA       VAL  21   3.961   4.109   5.042
  158    HB   VAL  21           HB       VAL  21   3.970   4.827   2.099
  159   1HG1  VAL  21          1HG1      VAL  21   5.360   2.676   3.714
  160   2HG1  VAL  21          2HG1      VAL  21   6.115   3.943   2.749
  161   3HG1  VAL  21          3HG1      VAL  21   5.234   2.639   1.956
  162   1HG2  VAL  21          1HG2      VAL  21   1.864   3.741   2.907
  163   2HG2  VAL  21          2HG2      VAL  21   2.830   2.399   3.516
  164   3HG2  VAL  21          3HG2      VAL  21   2.768   2.725   1.786
  165    H    SER  22           H        SER  22   6.259   4.372   5.135
  166    HA   SER  22           HA       SER  22   7.749   6.500   4.020
  167   1HB   SER  22          2HB       SER  22   6.632   8.175   5.197
  168   2HB   SER  22          1HB       SER  22   6.327   7.136   6.586
  169    HG   SER  22           HG       SER  22   8.385   7.412   7.251
  170    H    HIS  23           H        HIS  23   9.335   4.854   3.961
  171    HA   HIS  23           HA       HIS  23  10.765   4.451   6.515
  172   1HB   HIS  23          2HB       HIS  23   9.480   2.255   4.900
  173   2HB   HIS  23          1HB       HIS  23  10.927   1.926   5.851
  174    HD1  HIS  23           1HD      HIS  23  10.544   3.302   8.423
  175    HD2  HIS  23           2HD      HIS  23   7.315   1.555   6.449
  176    HE1  HIS  23           1HE      HIS  23   8.761   2.906  10.177
  177    HA   PRO  24           HA       PRO  24  14.315   4.952   3.918
  178   1HB   PRO  24          2HB       PRO  24  15.806   2.795   5.112
  179   2HB   PRO  24          1HB       PRO  24  15.965   4.528   5.407
  180   1HG   PRO  24          2HG       PRO  24  14.777   2.511   7.111
  181   2HG   PRO  24          1HG       PRO  24  15.081   4.214   7.467
  182   1HD   PRO  24          2HD       PRO  24  12.547   3.002   7.051
  183   2HD   PRO  24          1HD       PRO  24  12.884   4.747   7.148
  184    H    LEU  25           H        LEU  25  15.541   3.848   2.200
  185    HA   LEU  25           HA       LEU  25  14.037   2.038   0.648
  186   1HB   LEU  25          2HB       LEU  25  16.437   3.426   0.347
  187   2HB   LEU  25          1HB       LEU  25  16.934   1.738   0.264
  188    HG   LEU  25           HG       LEU  25  14.716   2.986  -1.388
  189   1HD1  LEU  25          1HD1      LEU  25  17.514   2.112  -2.166
  190   2HD1  LEU  25          2HD1      LEU  25  16.966   3.781  -2.031
  191   3HD1  LEU  25          3HD1      LEU  25  16.285   2.729  -3.269
  192   1HD2  LEU  25          1HD2      LEU  25  15.834   0.203  -1.114
  193   2HD2  LEU  25          2HD2      LEU  25  15.184   0.729  -2.666
  194   3HD2  LEU  25          3HD2      LEU  25  14.151   0.717  -1.239
  195    H    ASN  26           H        ASN  26  14.464  -0.267   0.201
  196    HA   ASN  26           HA       ASN  26  16.133  -1.782   2.025
  197   1HB   ASN  26          2HB       ASN  26  13.137  -1.723   2.360
  198   2HB   ASN  26          1HB       ASN  26  14.079  -3.134   2.844
  199   1HD2  ASN  26          1HD2      ASN  26  12.652  -0.710   4.340
  200   2HD2  ASN  26          2HD2      ASN  26  13.811  -0.281   5.503
  201    H    SER  27           H        SER  27  15.980  -1.569  -0.810
  202    HA   SER  27           HA       SER  27  16.032  -3.005  -2.668
  203   1HB   SER  27          2HB       SER  27  16.519  -5.229  -2.261
  204   2HB   SER  27          1HB       SER  27  16.847  -4.570  -0.660
  205    HG   SER  27           HG       SER  27  14.287  -5.021  -0.708
  206    H    VAL  28           H        VAL  28  14.441  -5.310  -3.151
  207    HA   VAL  28           HA       VAL  28  11.730  -4.071  -3.216
  208    HB   VAL  28           HB       VAL  28  11.372  -5.586  -5.149
  209   1HG1  VAL  28          1HG1      VAL  28  13.934  -4.042  -5.544
  210   2HG1  VAL  28          2HG1      VAL  28  12.383  -3.234  -5.322
  211   3HG1  VAL  28          3HG1      VAL  28  12.631  -4.300  -6.704
  212   1HG2  VAL  28          1HG2      VAL  28  12.873  -7.395  -4.578
  213   2HG2  VAL  28          2HG2      VAL  28  14.262  -6.307  -4.611
  214   3HG2  VAL  28          3HG2      VAL  28  13.415  -6.702  -6.106
  215    H    TRP  29           H        TRP  29  10.006  -5.224  -2.363
  216    HA   TRP  29           HA       TRP  29  10.559  -7.991  -1.366
  217   1HB   TRP  29          2HB       TRP  29   9.246  -7.450   0.667
  218   2HB   TRP  29          1HB       TRP  29  10.690  -6.446   0.537
  219    HD1  TRP  29           HD       TRP  29   6.936  -6.285   0.598
  220    HE1  TRP  29           1HE      TRP  29   6.173  -3.826   0.484
  221    HE3  TRP  29           3HE      TRP  29  11.384  -4.032  -0.500
  222    HZ2  TRP  29           2HZ      TRP  29   7.300  -1.243  -0.009
  223    HZ3  TRP  29           3HZ      TRP  29  11.511  -1.573  -0.786
  224    HH2  TRP  29           HH       TRP  29   9.477  -0.177  -0.542
  225    H    LYS  30           H        LYS  30   9.052  -9.412  -2.056
  226    HA   LYS  30           HA       LYS  30   6.348  -8.371  -2.800
  227   1HB   LYS  30          2HB       LYS  30   7.660 -10.636  -4.294
  228   2HB   LYS  30          1HB       LYS  30   6.332  -9.596  -4.807
  229   1HG   LYS  30          2HG       LYS  30   8.031  -8.606  -6.014
  230   2HG   LYS  30          1HG       LYS  30   8.210  -7.702  -4.512
  231   1HD   LYS  30          2HD       LYS  30  10.403  -8.404  -4.855
  232   2HD   LYS  30          1HD       LYS  30   9.796  -9.719  -3.850
  233   1HE   LYS  30          2HE       LYS  30   9.142 -10.858  -6.083
  234   2HE   LYS  30          1HE       LYS  30  10.223  -9.685  -6.836
  235   1HZ   LYS  30          1HZ       LYS  30  10.867 -12.042  -5.403
  236   2HZ   LYS  30          2HZ       LYS  30  11.587 -10.693  -4.662
  237   3HZ   LYS  30          3HZ       LYS  30  11.886 -11.026  -6.300
  238    H    THR  31           H        THR  31   4.885  -9.327  -1.482
  239    HA   THR  31           HA       THR  31   5.515 -11.735   0.015
  240    HB   THR  31           HB       THR  31   3.371 -11.464   1.022
  241    HG1  THR  31           1HG      THR  31   1.722 -10.432   0.031
  242   1HG2  THR  31          1HG2      THR  31   5.009  -9.632   1.478
  243   2HG2  THR  31          2HG2      THR  31   3.331  -9.109   1.628
  244   3HG2  THR  31          3HG2      THR  31   4.259  -8.690   0.188
  245    H    LYS  32           H        LYS  32   4.176 -11.090  -3.087
  246    HA   LYS  32           HA       LYS  32   3.163 -12.485  -4.683
  247   1HB   LYS  32          2HB       LYS  32   5.460 -13.577  -4.163
  248   2HB   LYS  32          1HB       LYS  32   4.527 -14.769  -3.258
  249   1HG   LYS  32          2HG       LYS  32   3.086 -14.956  -5.416
  250   2HG   LYS  32          1HG       LYS  32   4.448 -14.166  -6.212
  251   1HD   LYS  32          2HD       LYS  32   4.577 -16.739  -4.611
  252   2HD   LYS  32          1HD       LYS  32   4.677 -16.607  -6.367
  253   1HE   LYS  32          2HE       LYS  32   6.682 -15.067  -6.002
  254   2HE   LYS  32          1HE       LYS  32   6.654 -15.588  -4.317
  255   1HZ   LYS  32          1HZ       LYS  32   6.459 -17.886  -5.828
  256   2HZ   LYS  32          2HZ       LYS  32   7.810 -17.350  -4.948
  257   3HZ   LYS  32          3HZ       LYS  32   7.651 -16.952  -6.592
  258    H    ASP  33           H        ASP  33   1.596 -11.980  -2.307
  259    HA   ASP  33           HA       ASP  33  -0.391 -14.042  -2.612
  260   1HB   ASP  33          2HB       ASP  33   1.244 -15.261  -1.174
  261   2HB   ASP  33          1HB       ASP  33   1.071 -13.995   0.044
  262    H    CYS  34           H        CYS  34   0.897 -11.447  -0.576
  263    HA   CYS  34           HA       CYS  34  -1.909 -10.593   0.009
  264   1HB   CYS  34          2HB       CYS  34   0.651  -9.805   1.426
  265   2HB   CYS  34          1HB       CYS  34  -0.989  -9.376   1.914
  266    H    GLU  35           H        GLU  35   1.305  -9.303  -0.831
  267    HA   GLU  35           HA       GLU  35   0.075  -7.364  -2.647
  268   1HB   GLU  35          2HB       GLU  35  -0.224  -6.141  -0.580
  269   2HB   GLU  35          1HB       GLU  35   1.438  -6.468  -0.090
  270   1HG   GLU  35          2HG       GLU  35   2.330  -5.041  -1.760
  271   2HG   GLU  35          1HG       GLU  35   0.807  -4.994  -2.649
  272    H    GLU  36           H        GLU  36   1.815  -6.035  -3.732
  273    HA   GLU  36           HA       GLU  36   4.517  -7.287  -3.567
  274   1HB   GLU  36          2HB       GLU  36   3.199  -6.644  -6.210
  275   2HB   GLU  36          1HB       GLU  36   4.650  -7.604  -5.921
  276   1HG   GLU  36          2HG       GLU  36   3.197  -9.242  -4.650
  277   2HG   GLU  36          1HG       GLU  36   1.796  -8.343  -5.233
  278    H    CYS  37           H        CYS  37   5.551  -5.472  -2.750
  279    HA   CYS  37           HA       CYS  37   5.266  -2.946  -4.327
  280   1HB   CYS  37          2HB       CYS  37   5.571  -3.432  -1.381
  281   2HB   CYS  37          1HB       CYS  37   6.137  -1.917  -2.085
  282    H    THR  38           H        THR  38   7.074  -2.192  -5.262
  283    HA   THR  38           HA       THR  38   9.711  -3.283  -4.346
  284    HB   THR  38           HB       THR  38  10.424  -3.492  -6.581
  285    HG1  THR  38           1HG      THR  38   8.540  -1.528  -6.962
  286   1HG2  THR  38          1HG2      THR  38   7.479  -4.100  -6.852
  287   2HG2  THR  38          2HG2      THR  38   8.556  -5.088  -5.867
  288   3HG2  THR  38          3HG2      THR  38   8.834  -4.940  -7.603
  289    H    CYS  39           H        CYS  39  11.539  -1.775  -4.841
  290    HA   CYS  39           HA       CYS  39  10.632   1.070  -4.619
  291   1HB   CYS  39          2HB       CYS  39  12.920  -0.474  -3.452
  292   2HB   CYS  39          1HB       CYS  39  13.146   1.246  -3.767
  293    H    GLY  40           H        GLY  40  10.569   1.576  -6.839
  294   1HA   GLY  40          2HA       GLY  40  12.647   0.860  -8.698
  295   2HA   GLY  40          1HA       GLY  40  11.444   2.127  -8.950
  296    H    GLN  41           H        GLN  41  14.635   1.774  -8.950
  297    HA   GLN  41           HA       GLN  41  15.802   3.570  -7.165
  298   1HB   GLN  41          2HB       GLN  41  16.456   3.357 -10.120
  299   2HB   GLN  41          1HB       GLN  41  17.531   3.945  -8.852
  300   1HG   GLN  41          2HG       GLN  41  16.338   1.159  -8.888
  301   2HG   GLN  41          1HG       GLN  41  17.944   1.547  -9.507
  302   1HE2  GLN  41          1HE2      GLN  41  17.494  -0.220  -7.243
  303   2HE2  GLN  41          2HE2      GLN  41  18.177   0.519  -5.876
  304    H    ASP  42           H        ASP  42  13.438   4.264  -9.542
  305    HA   ASP  42           HA       ASP  42  13.886   7.194  -9.108
  306   1HB   ASP  42          2HB       ASP  42  12.947   5.895 -11.684
  307   2HB   ASP  42          1HB       ASP  42  13.202   7.620 -11.413
  308    H    ALA  43           H        ALA  43  11.794   4.563  -8.809
  309    HA   ALA  43           HA       ALA  43   9.603   6.336  -8.014
  310   1HB   ALA  43          1HB       ALA  43   7.965   5.167  -9.563
  311   2HB   ALA  43          2HB       ALA  43   9.361   4.526 -10.430
  312   3HB   ALA  43          3HB       ALA  43   9.088   6.267 -10.361
  313    H    ILE  44           H        ILE  44   7.590   4.767  -7.530
  314    HA   ILE  44           HA       ILE  44   8.660   2.273  -6.255
  315    HB   ILE  44           HB       ILE  44   6.656   4.253  -5.122
  316   1HG1  ILE  44          2HG1      ILE  44   9.314   3.349  -3.985
  317   2HG1  ILE  44          1HG1      ILE  44   9.152   4.786  -4.997
  318   1HG2  ILE  44          1HG2      ILE  44   5.914   2.068  -4.499
  319   2HG2  ILE  44          2HG2      ILE  44   6.816   2.682  -3.114
  320   3HG2  ILE  44          3HG2      ILE  44   7.563   1.516  -4.205
  321   1HD1  ILE  44          1HD1      ILE  44   7.640   4.290  -2.415
  322   2HD1  ILE  44          2HD1      ILE  44   7.524   5.734  -3.420
  323   3HD1  ILE  44          3HD1      ILE  44   9.032   5.357  -2.589
  324    H    SER  45           H        SER  45   7.543   0.487  -6.893
  325    HA   SER  45           HA       SER  45   4.884   0.896  -8.210
  326   1HB   SER  45          2HB       SER  45   5.348  -0.960  -9.579
  327   2HB   SER  45          1HB       SER  45   6.911  -0.157  -9.460
  328    HG   SER  45           HG       SER  45   6.016  -2.550  -8.349
  329    H    CYS  46           H        CYS  46   3.114  -0.144  -7.353
  330    HA   CYS  46           HA       CYS  46   3.558  -2.277  -5.325
  331   1HB   CYS  46          2HB       CYS  46   2.200   0.366  -4.892
  332   2HB   CYS  46          1HB       CYS  46   1.630  -1.054  -4.015
  333    H    CYS  47           H        CYS  47   2.368  -3.971  -5.986
  334    HA   CYS  47           HA       CYS  47  -0.172  -3.444  -7.479
  335   1HB   CYS  47          2HB       CYS  47   1.089  -6.154  -7.455
  336   2HB   CYS  47          1HB       CYS  47   0.240  -5.323  -8.758
  337    H    ASN  48           H        ASN  48  -2.065  -4.516  -6.797
  338    HA   ASN  48           HA       ASN  48  -1.857  -6.050  -4.229
  339   1HB   ASN  48          2HB       ASN  48  -4.143  -4.979  -3.714
  340   2HB   ASN  48          1HB       ASN  48  -2.725  -3.941  -3.561
  341   1HD2  ASN  48          1HD2      ASN  48  -4.970  -4.952  -6.215
  342   2HD2  ASN  48          2HD2      ASN  48  -5.118  -3.394  -6.872
  343    H    THR  49           H        THR  49  -2.995  -7.947  -4.226
  344    HA   THR  49           HA       THR  49  -4.722  -8.507  -6.609
  345    HB   THR  49           HB       THR  49  -4.037 -10.749  -6.519
  346    HG1  THR  49           1HG      THR  49  -4.054 -10.278  -3.901
  347   1HG2  THR  49          1HG2      THR  49  -2.173  -9.142  -7.083
  348   2HG2  THR  49          2HG2      THR  49  -1.627 -10.704  -6.471
  349   3HG2  THR  49          3HG2      THR  49  -1.622  -9.294  -5.413
  350    H    ALA  50           H        ALA  50  -4.831  -7.889  -3.301
  351    HA   ALA  50           HA       ALA  50  -7.051  -9.697  -2.671
  352   1HB   ALA  50          1HB       ALA  50  -5.855  -7.352  -1.165
  353   2HB   ALA  50          2HB       ALA  50  -5.527  -9.060  -0.881
  354   3HB   ALA  50          3HB       ALA  50  -7.122  -8.400  -0.530
  355    H    ALA  51           H        ALA  51  -9.197  -8.846  -2.022
  356    HA   ALA  51           HA       ALA  51 -10.457  -7.293  -3.979
  357   1HB   ALA  51          1HB       ALA  51 -12.210  -6.848  -2.165
  358   2HB   ALA  51          2HB       ALA  51 -11.154  -7.740  -1.070
  359   3HB   ALA  51          3HB       ALA  51 -11.837  -8.541  -2.484
  360    H    ILE  52           H        ILE  52 -11.041  -5.070  -4.103
  361    HA   ILE  52           HA       ILE  52  -9.324  -3.277  -2.447
  362    HB   ILE  52           HB       ILE  52 -10.618  -2.706  -5.126
  363   1HG1  ILE  52          2HG1      ILE  52  -8.050  -2.789  -5.758
  364   2HG1  ILE  52          1HG1      ILE  52  -7.934  -3.820  -4.335
  365   1HG2  ILE  52          1HG2      ILE  52  -8.469  -1.235  -3.571
  366   2HG2  ILE  52          2HG2      ILE  52 -10.150  -0.723  -3.705
  367   3HG2  ILE  52          3HG2      ILE  52  -9.125  -0.762  -5.138
  368   1HD1  ILE  52          1HD1      ILE  52  -9.044  -4.415  -6.978
  369   2HD1  ILE  52          2HD1      ILE  52 -10.149  -4.845  -5.674
  370   3HD1  ILE  52          3HD1      ILE  52  -8.520  -5.519  -5.709
  371    HA   PRO  53           HA       PRO  53 -13.207  -1.996  -0.566
  372   1HB   PRO  53          2HB       PRO  53 -12.032   0.498   0.267
  373   2HB   PRO  53          1HB       PRO  53 -12.367  -0.934   1.244
  374   1HG   PRO  53          2HG       PRO  53  -9.816   0.048   0.367
  375   2HG   PRO  53          1HG       PRO  53 -10.153  -1.375   1.358
  376   1HD   PRO  53          2HD       PRO  53  -9.259  -1.307  -1.378
  377   2HD   PRO  53          1HD       PRO  53  -9.635  -2.739  -0.386
  378    H    THR  54           H        THR  54 -14.911  -1.024  -1.610
  379    HA   THR  54           HA       THR  54 -14.438   1.517  -3.085
  380    HB   THR  54           HB       THR  54 -15.020   0.709  -5.142
  381    HG1  THR  54           1HG      THR  54 -16.856  -0.793  -3.646
  382   1HG2  THR  54          1HG2      THR  54 -14.334  -1.595  -5.527
  383   2HG2  THR  54          2HG2      THR  54 -14.512  -1.964  -3.812
  384   3HG2  THR  54          3HG2      THR  54 -13.248  -0.858  -4.349
  385    H    GLY  55           H        GLY  55 -16.942   1.901  -4.125
  386   1HA   GLY  55          2HA       GLY  55 -19.160   2.438  -3.564
  387   2HA   GLY  55          1HA       GLY  55 -19.072   1.211  -2.301
  388    H    TYR  56           H        TYR  56 -16.497   2.845  -1.465
  389    HA   TYR  56           HA       TYR  56 -17.943   4.445   0.523
  390   1HB   TYR  56          2HB       TYR  56 -15.928   4.558   1.683
  391   2HB   TYR  56          1HB       TYR  56 -15.731   3.042   0.807
  392    HD1  TYR  56           1HD      TYR  56 -14.599   6.495   1.159
  393    HD2  TYR  56           2HD      TYR  56 -14.336   2.951  -1.252
  394    HE1  TYR  56           1HE      TYR  56 -12.577   7.402   0.049
  395    HE2  TYR  56           2HE      TYR  56 -12.313   3.858  -2.364
  396    HH   TYR  56           HH       TYR  56 -11.215   7.150  -1.777
  397    H    ASP  57           H        ASP  57 -18.054   6.684   0.571
  398    HA   ASP  57           HA       ASP  57 -18.012   8.197  -1.769
  399   1HB   ASP  57          2HB       ASP  57 -18.971   8.960   0.404
  400   2HB   ASP  57          1HB       ASP  57 -17.332   9.232   1.000
  401    H    THR  58           H        THR  58 -16.215   8.009  -3.103
  402    HA   THR  58           HA       THR  58 -13.504   8.226  -2.031
  403    HB   THR  58           HB       THR  58 -13.483   6.903  -3.933
  404    HG1  THR  58           1HG      THR  58 -13.164   9.527  -4.959
  405   1HG2  THR  58          1HG2      THR  58 -15.607   8.782  -4.969
  406   2HG2  THR  58          2HG2      THR  58 -15.751   7.060  -4.613
  407   3HG2  THR  58          3HG2      THR  58 -14.819   7.597  -6.011
  408    H    ASN  59           H        ASN  59 -13.778  10.343  -0.996
  409    HA   ASN  59           HA       ASN  59 -14.041  12.654  -2.843
  410   1HB   ASN  59          2HB       ASN  59 -15.289  12.614  -0.663
  411   2HB   ASN  59          1HB       ASN  59 -13.737  12.645   0.173
  412   1HD2  ASN  59          1HD2      ASN  59 -13.959  14.784   1.062
  413   2HD2  ASN  59          2HD2      ASN  59 -14.007  16.175   0.090
  414    H    LYS  60           H        LYS  60 -11.753  11.323  -0.445
  415    HA   LYS  60           HA       LYS  60  -9.472  12.148  -2.003
  416   1HB   LYS  60          2HB       LYS  60 -10.510  14.281  -0.739
  417   2HB   LYS  60          1HB       LYS  60  -9.539  13.646   0.587
  418   1HG   LYS  60          2HG       LYS  60  -7.568  13.583  -0.975
  419   2HG   LYS  60          1HG       LYS  60  -8.564  14.393  -2.185
  420   1HD   LYS  60          2HD       LYS  60  -9.004  16.110  -0.213
  421   2HD   LYS  60          1HD       LYS  60  -7.484  15.460   0.403
  422   1HE   LYS  60          2HE       LYS  60  -8.000  17.036  -2.091
  423   2HE   LYS  60          1HE       LYS  60  -6.682  17.182  -0.931
  424   1HZ   LYS  60          1HZ       LYS  60  -5.474  15.978  -2.325
  425   2HZ   LYS  60          2HZ       LYS  60  -6.816  15.639  -3.311
  426   3HZ   LYS  60          3HZ       LYS  60  -6.467  14.649  -1.975
  427    H    CYS  61           H        CYS  61  -9.628   9.717  -1.308
  428    HA   CYS  61           HA       CYS  61  -7.822   9.390   1.028
  429   1HB   CYS  61          2HB       CYS  61 -10.355   7.764   0.657
  430   2HB   CYS  61          1HB       CYS  61  -9.170   7.568   1.946
  431    H    GLN  62           H        GLN  62  -7.073   6.991   1.084
  432    HA   GLN  62           HA       GLN  62  -6.989   5.815  -1.656
  433   1HB   GLN  62          2HB       GLN  62  -4.510   6.095   0.055
  434   2HB   GLN  62          1HB       GLN  62  -4.610   5.626  -1.642
  435   1HG   GLN  62          2HG       GLN  62  -3.925   7.895  -1.693
  436   2HG   GLN  62          1HG       GLN  62  -5.653   7.946  -2.042
  437   1HE2  GLN  62          1HE2      GLN  62  -6.140   9.992  -1.095
  438   2HE2  GLN  62          2HE2      GLN  62  -5.939  10.320   0.559
  439    H    LYS  63           H        LYS  63  -5.894   3.569  -1.507
  440    HA   LYS  63           HA       LYS  63  -6.849   2.231   0.996
  441   1HB   LYS  63          2HB       LYS  63  -6.351   0.812  -1.619
  442   2HB   LYS  63          1HB       LYS  63  -7.398   0.334  -0.283
  443   1HG   LYS  63          2HG       LYS  63  -9.045   1.173  -1.640
  444   2HG   LYS  63          1HG       LYS  63  -8.546   2.708  -0.932
  445   1HD   LYS  63          2HD       LYS  63  -6.962   3.034  -2.829
  446   2HD   LYS  63          1HD       LYS  63  -7.558   1.539  -3.551
  447   1HE   LYS  63          2HE       LYS  63  -8.749   3.367  -4.585
  448   2HE   LYS  63          1HE       LYS  63  -9.875   2.542  -3.507
  449   1HZ   LYS  63          1HZ       LYS  63  -9.964   4.287  -2.116
  450   2HZ   LYS  63          2HZ       LYS  63  -9.461   5.170  -3.478
  451   3HZ   LYS  63          3HZ       LYS  63  -8.326   4.683  -2.311
  452    H    ILE  64           H        ILE  64  -5.376   1.057   2.171
  453    HA   ILE  64           HA       ILE  64  -2.652   0.674   0.984
  454    HB   ILE  64           HB       ILE  64  -3.481   1.681   3.702
  455   1HG1  ILE  64          2HG1      ILE  64  -1.283   2.559   1.808
  456   2HG1  ILE  64          1HG1      ILE  64  -2.915   3.228   1.780
  457   1HG2  ILE  64          1HG2      ILE  64  -0.951   0.222   2.933
  458   2HG2  ILE  64          2HG2      ILE  64  -1.991  -0.052   4.330
  459   3HG2  ILE  64          3HG2      ILE  64  -0.975   1.388   4.256
  460   1HD1  ILE  64          1HD1      ILE  64  -1.027   3.271   4.154
  461   2HD1  ILE  64          2HD1      ILE  64  -2.667   3.919   4.141
  462   3HD1  ILE  64          3HD1      ILE  64  -1.422   4.649   3.127
  463    H    LEU  65           H        LEU  65  -1.843  -1.373   1.162
  464    HA   LEU  65           HA       LEU  65  -3.550  -3.424   2.416
  465   1HB   LEU  65          2HB       LEU  65  -2.063  -3.371   0.104
  466   2HB   LEU  65          1HB       LEU  65  -0.963  -4.206   1.191
  467    HG   LEU  65           HG       LEU  65  -2.450  -5.743  -0.081
  468   1HD1  LEU  65          1HD1      LEU  65  -3.382  -6.910   2.062
  469   2HD1  LEU  65          2HD1      LEU  65  -2.538  -5.623   2.918
  470   3HD1  LEU  65          3HD1      LEU  65  -1.640  -6.721   1.876
  471   1HD2  LEU  65          1HD2      LEU  65  -4.803  -5.112   1.608
  472   2HD2  LEU  65          2HD2      LEU  65  -4.724  -5.600  -0.083
  473   3HD2  LEU  65          3HD2      LEU  65  -4.431  -3.922   0.359
  474    H    ASN  66           H        ASN  66  -3.198  -3.909   4.527
  475    HA   ASN  66           HA       ASN  66  -0.688  -3.180   5.841
  476   1HB   ASN  66          2HB       ASN  66  -3.049  -3.153   6.887
  477   2HB   ASN  66          1HB       ASN  66  -2.872  -4.904   7.022
  478   1HD2  ASN  66          1HD2      ASN  66  -0.512  -2.216   7.529
  479   2HD2  ASN  66          2HD2      ASN  66  -0.086  -2.694   9.101
  480    H    LYS  67           H        LYS  67   1.071  -4.456   5.520
  481    HA   LYS  67           HA       LYS  67   0.789  -7.254   4.738
  482   1HB   LYS  67          2HB       LYS  67   3.331  -5.826   5.557
  483   2HB   LYS  67          1HB       LYS  67   3.181  -7.251   4.530
  484   1HG   LYS  67          2HG       LYS  67   2.076  -5.952   2.798
  485   2HG   LYS  67          1HG       LYS  67   2.038  -4.529   3.838
  486   1HD   LYS  67          2HD       LYS  67   4.491  -4.455   3.867
  487   2HD   LYS  67          1HD       LYS  67   4.559  -5.908   2.869
  488   1HE   LYS  67          2HE       LYS  67   3.079  -3.434   1.967
  489   2HE   LYS  67          1HE       LYS  67   4.800  -3.654   1.651
  490   1HZ   LYS  67          1HZ       LYS  67   4.348  -5.658   0.467
  491   2HZ   LYS  67          2HZ       LYS  67   3.339  -4.443  -0.162
  492   3HZ   LYS  67          3HZ       LYS  67   2.707  -5.616   0.894
  493    H    LYS  68           H        LYS  68   0.964  -5.589   7.730
  494    HA   LYS  68           HA       LYS  68   2.394  -7.395   9.360
  495   1HB   LYS  68          2HB       LYS  68   1.331  -5.154  10.026
  496   2HB   LYS  68          1HB       LYS  68  -0.175  -6.052  10.224
  497   1HG   LYS  68          2HG       LYS  68   0.949  -7.570  11.823
  498   2HG   LYS  68          1HG       LYS  68   2.438  -6.641  11.646
  499   1HD   LYS  68          2HD       LYS  68   1.230  -4.613  12.444
  500   2HD   LYS  68          1HD       LYS  68  -0.207  -5.603  12.708
  501   1HE   LYS  68          2HE       LYS  68   1.223  -7.076  14.207
  502   2HE   LYS  68          1HE       LYS  68   2.473  -5.837  14.096
  503   1HZ   LYS  68          1HZ       LYS  68   0.615  -5.825  15.968
  504   2HZ   LYS  68          2HZ       LYS  68  -0.212  -4.937  14.778
  505   3HZ   LYS  68          3HZ       LYS  68   1.295  -4.399  15.352
  506    H    THR  69           H        THR  69  -1.061  -7.413   8.483
  507    HA   THR  69           HA       THR  69  -1.095 -10.347   9.071
  508    HB   THR  69           HB       THR  69  -3.535  -9.940   9.769
  509    HG1  THR  69           1HG      THR  69  -4.185  -7.955   9.844
  510   1HG2  THR  69          1HG2      THR  69  -1.258  -8.835  11.434
  511   2HG2  THR  69          2HG2      THR  69  -1.819 -10.507  11.400
  512   3HG2  THR  69          3HG2      THR  69  -2.852  -9.243  12.067
  513    H    CYS  70           H        CYS  70  -0.828  -8.655   6.573
  514    HA   CYS  70           HA       CYS  70  -1.739  -8.570   4.408
  515   1HB   CYS  70          2HB       CYS  70  -2.659 -11.292   5.369
  516   2HB   CYS  70          1HB       CYS  70  -2.816 -10.744   3.700
  517    H    THR  71           H        THR  71  -3.201  -6.817   5.208
  518    HA   THR  71           HA       THR  71  -6.038  -7.633   4.836
  519    HB   THR  71           HB       THR  71  -6.813  -6.644   6.814
  520    HG1  THR  71           1HG      THR  71  -4.963  -5.423   8.023
  521   1HG2  THR  71          1HG2      THR  71  -5.529  -7.611   8.615
  522   2HG2  THR  71          2HG2      THR  71  -4.066  -7.622   7.631
  523   3HG2  THR  71          3HG2      THR  71  -5.407  -8.693   7.228
  524    H    TYR  72           H        TYR  72  -7.415  -5.533   4.642
  525    HA   TYR  72           HA       TYR  72  -5.836  -3.573   3.022
  526   1HB   TYR  72          2HB       TYR  72  -8.219  -5.024   2.452
  527   2HB   TYR  72          1HB       TYR  72  -8.684  -3.332   2.620
  528    HD1  TYR  72           1HD      TYR  72  -7.776  -5.644   0.248
  529    HD2  TYR  72           2HD      TYR  72  -6.668  -1.712   1.577
  530    HE1  TYR  72           1HE      TYR  72  -6.823  -5.155  -1.989
  531    HE2  TYR  72           2HE      TYR  72  -5.716  -1.225  -0.660
  532    HH   TYR  72           HH       TYR  72  -6.405  -2.675  -3.306
  533    H    THR  73           H        THR  73  -6.125  -1.363   3.398
  534    HA   THR  73           HA       THR  73  -7.947  -0.542   5.599
  535    HB   THR  73           HB       THR  73  -6.202   0.613   6.795
  536    HG1  THR  73           1HG      THR  73  -4.978   1.220   4.975
  537   1HG2  THR  73          1HG2      THR  73  -5.035  -2.078   6.064
  538   2HG2  THR  73          2HG2      THR  73  -6.460  -1.906   7.088
  539   3HG2  THR  73          3HG2      THR  73  -4.916  -1.230   7.605
  540    H    VAL  74           H        VAL  74  -7.910   1.958   5.739
  541    HA   VAL  74           HA       VAL  74  -7.330   3.190   3.085
  542    HB   VAL  74           HB       VAL  74  -9.902   3.748   4.568
  543   1HG1  VAL  74          1HG1      VAL  74  -8.915   5.272   2.740
  544   2HG1  VAL  74          2HG1      VAL  74 -10.586   4.749   2.526
  545   3HG1  VAL  74          3HG1      VAL  74  -9.293   3.967   1.616
  546   1HG2  VAL  74          1HG2      VAL  74  -9.336   1.632   2.471
  547   2HG2  VAL  74          2HG2      VAL  74 -10.959   2.198   2.866
  548   3HG2  VAL  74          3HG2      VAL  74  -9.987   1.382   4.090
  549    H    VAL  75           H        VAL  75  -6.536   5.273   3.259
  550    HA   VAL  75           HA       VAL  75  -6.683   6.580   5.949
  551    HB   VAL  75           HB       VAL  75  -4.333   7.333   5.621
  552   1HG1  VAL  75          1HG1      VAL  75  -4.804   5.318   6.956
  553   2HG1  VAL  75          2HG1      VAL  75  -3.287   5.136   6.076
  554   3HG1  VAL  75          3HG1      VAL  75  -4.744   4.329   5.498
  555   1HG2  VAL  75          1HG2      VAL  75  -4.432   5.424   3.261
  556   2HG2  VAL  75          2HG2      VAL  75  -2.984   6.227   3.865
  557   3HG2  VAL  75          3HG2      VAL  75  -4.286   7.177   3.157
  558    H    GLU  76           H        GLU  76  -6.013   8.969   5.727
  559    HA   GLU  76           HA       GLU  76  -7.144  10.053   3.174
  560   1HB   GLU  76          2HB       GLU  76  -8.362  10.404   5.460
  561   2HB   GLU  76          1HB       GLU  76  -7.085  11.579   5.771
  562   1HG   GLU  76          2HG       GLU  76  -7.652  12.729   3.643
  563   2HG   GLU  76          1HG       GLU  76  -8.969  11.582   3.395
  564    H    LYS  77           H        LYS  77  -5.721  11.207   1.970
  565    HA   LYS  77           HA       LYS  77  -3.008  11.542   2.526
  566   1HB   LYS  77          2HB       LYS  77  -4.908  13.151   0.820
  567   2HB   LYS  77          1HB       LYS  77  -3.198  13.563   0.914
  568   1HG   LYS  77          2HG       LYS  77  -3.689  10.691   0.463
  569   2HG   LYS  77          1HG       LYS  77  -4.287  11.719  -0.838
  570   1HD   LYS  77          2HD       LYS  77  -2.068  12.801  -0.996
  571   2HD   LYS  77          1HD       LYS  77  -1.470  11.750   0.289
  572   1HE   LYS  77          2HE       LYS  77  -1.617   9.820  -1.051
  573   2HE   LYS  77          1HE       LYS  77  -2.728  10.583  -2.189
  574   1HZ   LYS  77          1HZ       LYS  77   0.179  10.979  -1.898
  575   2HZ   LYS  77          2HZ       LYS  77  -0.788  12.177  -2.618
  576   3HZ   LYS  77          3HZ       LYS  77  -0.713  10.620  -3.294
  577    H    LYS  78           H        LYS  78  -5.596  13.086   4.087
  578    HA   LYS  78           HA       LYS  78  -3.792  15.269   5.070
  579   1HB   LYS  78          2HB       LYS  78  -6.042  15.803   3.870
  580   2HB   LYS  78          1HB       LYS  78  -6.792  15.268   5.374
  581   1HG   LYS  78          2HG       LYS  78  -4.984  16.913   6.446
  582   2HG   LYS  78          1HG       LYS  78  -5.077  17.669   4.856
  583   1HD   LYS  78          2HD       LYS  78  -7.519  17.882   5.087
  584   2HD   LYS  78          1HD       LYS  78  -7.444  17.104   6.667
  585   1HE   LYS  78          2HE       LYS  78  -5.739  18.991   7.253
  586   2HE   LYS  78          1HE       LYS  78  -6.427  19.818   5.855
  587   1HZ   LYS  78          1HZ       LYS  78  -8.042  20.477   7.203
  588   2HZ   LYS  78          2HZ       LYS  78  -7.528  19.450   8.455
  589   3HZ   LYS  78          3HZ       LYS  78  -8.584  18.871   7.256
  590    H    ASP  79           H        ASP  79  -4.908  12.286   5.938
  591    HA   ASP  79           HA       ASP  79  -4.407  12.839   8.783
  592   1HB   ASP  79          2HB       ASP  79  -6.923  13.211   8.237
  593   2HB   ASP  79          1HB       ASP  79  -6.994  11.455   8.091
  594    HA   PRO  80           HA       PRO  80  -3.031   8.703   7.065
  595   1HB   PRO  80          2HB       PRO  80  -0.537   9.147   8.438
  596   2HB   PRO  80          1HB       PRO  80  -0.830   9.080   6.699
  597   1HG   PRO  80          2HG       PRO  80  -0.181  11.377   8.254
  598   2HG   PRO  80          1HG       PRO  80  -0.580  11.322   6.534
  599   1HD   PRO  80          2HD       PRO  80  -2.199  12.327   8.737
  600   2HD   PRO  80          1HD       PRO  80  -2.533  12.410   6.989
  601    H    GLY  81           H        GLY  81  -3.919   9.976   9.965
  602   1HA   GLY  81          2HA       GLY  81  -3.097   7.566  11.539
  603   2HA   GLY  81          1HA       GLY  81  -3.574   9.111  12.245
  604    H    LYS  82           H        LYS  82  -5.862   9.478  10.453
  605    HA   LYS  82           HA       LYS  82  -7.716   7.564  11.790
  606   1HB   LYS  82          2HB       LYS  82  -8.229  10.205  10.387
  607   2HB   LYS  82          1HB       LYS  82  -9.474   9.203  11.134
  608   1HG   LYS  82          2HG       LYS  82  -8.079   9.346  13.283
  609   2HG   LYS  82          1HG       LYS  82  -7.182  10.637  12.483
  610   1HD   LYS  82          2HD       LYS  82  -9.324  11.851  12.107
  611   2HD   LYS  82          1HD       LYS  82 -10.168  10.590  13.005
  612   1HE   LYS  82          2HE       LYS  82  -8.769  11.073  14.989
  613   2HE   LYS  82          1HE       LYS  82  -7.953  12.354  14.091
  614   1HZ   LYS  82          1HZ       LYS  82  -9.554  13.624  14.981
  615   2HZ   LYS  82          2HZ       LYS  82 -10.597  12.315  15.273
  616   3HZ   LYS  82          3HZ       LYS  82 -10.513  13.010  13.724
  617    H    THR  83           H        THR  83  -9.320   6.458  10.543
  618    HA   THR  83           HA       THR  83  -8.461   5.910   7.766
  619    HB   THR  83           HB       THR  83 -10.287   4.135   7.934
  620    HG1  THR  83           1HG      THR  83 -10.434   3.946  10.515
  621   1HG2  THR  83          1HG2      THR  83  -8.939   2.740   9.545
  622   2HG2  THR  83          2HG2      THR  83  -7.994   4.184   9.911
  623   3HG2  THR  83          3HG2      THR  83  -7.983   3.513   8.280
  624    H    CYS  84           H        CYS  84 -10.031   5.980   5.998
  625    HA   CYS  84           HA       CYS  84 -11.844   8.289   6.257
  626   1HB   CYS  84          2HB       CYS  84 -10.810   6.630   3.969
  627   2HB   CYS  84          1HB       CYS  84 -12.217   7.668   3.736
  628    H    ASP  85           H        ASP  85 -13.908   7.683   4.561
  629    HA   ASP  85           HA       ASP  85 -15.535   5.921   6.226
  630   1HB   ASP  85          2HB       ASP  85 -16.332   8.046   5.040
  631   2HB   ASP  85          1HB       ASP  85 -16.311   7.101   3.552
  632    H    VAL  86           H        VAL  86 -16.573   3.978   5.484
  633    HA   VAL  86           HA       VAL  86 -15.341   2.727   3.062
  634    HB   VAL  86           HB       VAL  86 -15.989   1.133   5.538
  635   1HG1  VAL  86          1HG1      VAL  86 -14.219  -0.338   4.562
  636   2HG1  VAL  86          2HG1      VAL  86 -14.094   0.771   3.196
  637   3HG1  VAL  86          3HG1      VAL  86 -15.593  -0.113   3.481
  638   1HG2  VAL  86          1HG2      VAL  86 -13.485   2.719   4.929
  639   2HG2  VAL  86          2HG2      VAL  86 -13.483   1.337   6.025
  640   3HG2  VAL  86          3HG2      VAL  86 -14.461   2.757   6.398
  641    H    THR  87           H        THR  87 -16.693   0.751   2.376
  642    HA   THR  87           HA       THR  87 -19.555   1.000   3.129
  643    HB   THR  87           HB       THR  87 -18.478   1.220   0.306
  644    HG1  THR  87           1HG      THR  87 -19.875   2.910   2.079
  645   1HG2  THR  87          1HG2      THR  87 -20.978   1.412  -0.231
  646   2HG2  THR  87          2HG2      THR  87 -21.263   0.715   1.364
  647   3HG2  THR  87          3HG2      THR  87 -20.377  -0.202   0.144
  648    H    GLY  88           H        GLY  88 -17.220  -0.736   1.067
  649   1HA   GLY  88          2HA       GLY  88 -17.891  -3.284   2.235
  650   2HA   GLY  88          1HA       GLY  88 -18.674  -3.103   0.665
  651    H    TRP  89           H        TRP  89 -17.407  -4.641  -0.425
  652    HA   TRP  89           HA       TRP  89 -14.686  -3.724  -1.124
  653   1HB   TRP  89          2HB       TRP  89 -15.039  -6.604  -0.313
  654   2HB   TRP  89          1HB       TRP  89 -13.552  -5.663  -0.438
  655    HD1  TRP  89           HD       TRP  89 -13.158  -3.760   1.471
  656    HE1  TRP  89           1HE      TRP  89 -13.910  -3.707   3.936
  657    HE3  TRP  89           3HE      TRP  89 -16.830  -7.308   1.348
  658    HZ2  TRP  89           2HZ      TRP  89 -15.818  -5.000   5.632
  659    HZ3  TRP  89           3HZ      TRP  89 -18.097  -7.877   3.401
  660    HH2  TRP  89           HH       TRP  89 -17.596  -6.728   5.540
  661    H    VAL  90           H        VAL  90 -13.903  -4.780  -3.089
  662    HA   VAL  90           HA       VAL  90 -15.938  -6.377  -4.568
  663    HB   VAL  90           HB       VAL  90 -14.541  -3.922  -5.669
  664   1HG1  VAL  90          1HG1      VAL  90 -16.433  -5.958  -6.865
  665   2HG1  VAL  90          2HG1      VAL  90 -14.829  -5.503  -7.440
  666   3HG1  VAL  90          3HG1      VAL  90 -16.172  -4.369  -7.585
  667   1HG2  VAL  90          1HG2      VAL  90 -17.455  -4.428  -4.987
  668   2HG2  VAL  90          2HG2      VAL  90 -16.824  -2.971  -5.754
  669   3HG2  VAL  90          3HG2      VAL  90 -16.363  -3.366  -4.098
  670    H    LEU  91           H        LEU  91 -14.939  -8.155  -5.361
  671    HA   LEU  91           HA       LEU  91 -12.184  -8.688  -5.171
  672   1HB   LEU  91          2HB       LEU  91 -13.930 -10.409  -5.591
  673   2HB   LEU  91          1HB       LEU  91 -14.113  -9.801  -7.235
  674    HG   LEU  91           HG       LEU  91 -11.318 -10.416  -6.465
  675   1HD1  LEU  91          1HD1      LEU  91 -11.618 -12.857  -6.713
  676   2HD1  LEU  91          2HD1      LEU  91 -13.367 -12.632  -6.770
  677   3HD1  LEU  91          3HD1      LEU  91 -12.476 -12.247  -5.297
  678   1HD2  LEU  91          1HD2      LEU  91 -11.352 -11.458  -8.718
  679   2HD2  LEU  91          2HD2      LEU  91 -11.980  -9.812  -8.761
  680   3HD2  LEU  91          3HD2      LEU  91 -13.090 -11.181  -8.812
  Start of MODEL   14
    1   1H    GLN   1          1HT       GLN   1  -2.289  -4.717 -13.784
    2   2H    GLN   1          2HT       GLN   1  -3.613  -5.754 -13.539
    3   3H    GLN   1          3HT       GLN   1  -2.208  -5.928 -12.599
    4    HA   GLN   1           HA       GLN   1  -3.873  -3.476 -12.572
    5   1HB   GLN   1          2HB       GLN   1  -5.083  -5.598 -11.820
    6   2HB   GLN   1          1HB       GLN   1  -3.898  -5.699 -10.518
    7   1HG   GLN   1          2HG       GLN   1  -5.702  -4.513  -9.554
    8   2HG   GLN   1          1HG       GLN   1  -4.551  -3.252  -9.994
    9   1HE2  GLN   1          1HE2      GLN   1  -5.353  -1.597 -11.310
   10   2HE2  GLN   1          2HE2      GLN   1  -6.801  -1.680 -12.192
   11    H    CYS   2           H        CYS   2  -1.849  -2.302 -12.467
   12    HA   CYS   2           HA       CYS   2  -0.746  -2.210  -9.751
   13   1HB   CYS   2          2HB       CYS   2   0.571  -4.002 -11.013
   14   2HB   CYS   2          1HB       CYS   2   1.169  -2.701 -12.042
   15    H    TYR   3           H        TYR   3   0.926  -0.375  -9.630
   16    HA   TYR   3           HA       TYR   3   0.703   1.611 -11.809
   17   1HB   TYR   3          2HB       TYR   3   0.062   3.356  -9.994
   18   2HB   TYR   3          1HB       TYR   3  -1.211   2.306 -10.616
   19    HD1  TYR   3           1HD      TYR   3  -1.863   0.241  -9.309
   20    HD2  TYR   3           2HD      TYR   3   0.717   3.276  -7.704
   21    HE1  TYR   3           1HE      TYR   3  -2.279  -0.616  -7.019
   22    HE2  TYR   3           2HE      TYR   3   0.302   2.419  -5.414
   23    HH   TYR   3           HH       TYR   3  -1.441   1.122  -4.229
   24    H    PHE   4           H        PHE   4   2.205   3.450 -11.441
   25    HA   PHE   4           HA       PHE   4   4.488   2.651  -9.671
   26   1HB   PHE   4          2HB       PHE   4   4.336   3.529 -12.466
   27   2HB   PHE   4          1HB       PHE   4   5.479   4.485 -11.526
   28    HD1  PHE   4           1HD      PHE   4   4.777   1.237 -13.014
   29    HD2  PHE   4           2HD      PHE   4   7.336   3.347 -10.283
   30    HE1  PHE   4           1HE      PHE   4   6.420  -0.618 -13.120
   31    HE2  PHE   4           2HE      PHE   4   8.979   1.492 -10.389
   32    HZ   PHE   4           HZ       PHE   4   8.521  -0.490 -11.808
   33    H    ILE   5           H        ILE   5   5.195   4.138  -8.184
   34    HA   ILE   5           HA       ILE   5   3.938   6.854  -8.255
   35    HB   ILE   5           HB       ILE   5   4.654   5.195  -5.829
   36   1HG1  ILE   5          2HG1      ILE   5   1.921   6.048  -6.817
   37   2HG1  ILE   5          1HG1      ILE   5   2.629   4.476  -7.190
   38   1HG2  ILE   5          1HG2      ILE   5   3.382   7.929  -6.142
   39   2HG2  ILE   5          2HG2      ILE   5   4.929   7.566  -5.377
   40   3HG2  ILE   5          3HG2      ILE   5   3.428   7.027  -4.627
   41   1HD1  ILE   5          1HD1      ILE   5   1.082   4.606  -5.131
   42   2HD1  ILE   5          2HD1      ILE   5   2.407   5.465  -4.347
   43   3HD1  ILE   5          3HD1      ILE   5   2.642   3.813  -4.916
   44    HA   PRO   6           HA       PRO   6   8.354   7.849  -8.547
   45   1HB   PRO   6          2HB       PRO   6   7.714  10.633  -8.186
   46   2HB   PRO   6          1HB       PRO   6   8.182   9.802  -9.671
   47   1HG   PRO   6          2HG       PRO   6   5.595  10.812  -8.962
   48   2HG   PRO   6          1HG       PRO   6   6.064   9.972 -10.442
   49   1HD   PRO   6          2HD       PRO   6   4.435   8.974  -8.281
   50   2HD   PRO   6          1HD       PRO   6   4.910   8.126  -9.776
   51    H    ASN   7           H        ASN   7   9.969   8.514  -7.036
   52    HA   ASN   7           HA       ASN   7   9.421   8.168  -4.291
   53   1HB   ASN   7          2HB       ASN   7  11.688   7.978  -5.166
   54   2HB   ASN   7          1HB       ASN   7  11.688   9.683  -5.619
   55   1HD2  ASN   7          1HD2      ASN   7  11.027   7.719  -2.650
   56   2HD2  ASN   7          2HD2      ASN   7  11.841   8.775  -1.600
   57    H    GLN   8           H        GLN   8   9.186   9.674  -2.566
   58    HA   GLN   8           HA       GLN   8   8.677  12.512  -3.340
   59   1HB   GLN   8          2HB       GLN   8   6.857  10.798  -1.615
   60   2HB   GLN   8          1HB       GLN   8   6.658  12.525  -1.907
   61   1HG   GLN   8          2HG       GLN   8   5.352  11.894  -3.659
   62   2HG   GLN   8          1HG       GLN   8   6.869  11.531  -4.477
   63   1HE2  GLN   8          1HE2      GLN   8   7.665   9.183  -3.102
   64   2HE2  GLN   8          2HE2      GLN   8   6.526   7.958  -3.390
   65    H    SER   9           H        SER   9  10.387  10.426  -1.467
   66    HA   SER   9           HA       SER   9  10.268  11.528   1.153
   67   1HB   SER   9          2HB       SER   9  12.314  10.402   1.562
   68   2HB   SER   9          1HB       SER   9  11.513   9.423   0.336
   69    HG   SER   9           HG       SER   9  12.930  11.391  -0.820
   70    H    LEU  10           H        LEU  10  12.647  12.550   1.907
   71    HA   LEU  10           HA       LEU  10  12.997  14.979   0.194
   72   1HB   LEU  10          2HB       LEU  10  13.752  15.851   2.664
   73   2HB   LEU  10          1HB       LEU  10  12.123  16.040   2.023
   74    HG   LEU  10           HG       LEU  10  12.841  13.488   3.432
   75   1HD1  LEU  10          1HD1      LEU  10  12.066  16.088   4.790
   76   2HD1  LEU  10          2HD1      LEU  10  13.613  15.257   4.952
   77   3HD1  LEU  10          3HD1      LEU  10  12.144  14.512   5.579
   78   1HD2  LEU  10          1HD2      LEU  10  10.607  14.130   2.180
   79   2HD2  LEU  10          2HD2      LEU  10  10.270  15.039   3.652
   80   3HD2  LEU  10          3HD2      LEU  10  10.527  13.296   3.732
   81    H    LYS  11           H        LYS  11  14.534  12.613   2.316
   82    HA   LYS  11           HA       LYS  11  17.204  13.656   1.490
   83   1HB   LYS  11          2HB       LYS  11  16.204  12.068   3.829
   84   2HB   LYS  11          1HB       LYS  11  17.867  11.809   3.304
   85   1HG   LYS  11          2HG       LYS  11  18.007  13.535   4.926
   86   2HG   LYS  11          1HG       LYS  11  18.114  14.372   3.378
   87   1HD   LYS  11          2HD       LYS  11  15.692  14.864   3.483
   88   2HD   LYS  11          1HD       LYS  11  15.601  14.046   5.043
   89   1HE   LYS  11          2HE       LYS  11  17.197  15.656   5.997
   90   2HE   LYS  11          1HE       LYS  11  17.321  16.469   4.436
   91   1HZ   LYS  11          1HZ       LYS  11  14.949  16.277   6.200
   92   2HZ   LYS  11          2HZ       LYS  11  14.850  16.782   4.581
   93   3HZ   LYS  11          3HZ       LYS  11  15.764  17.677   5.699
   94    HA   PRO  12           HA       PRO  12  17.725  10.305  -1.367
   95   1HB   PRO  12          2HB       PRO  12  20.451   9.790  -0.592
   96   2HB   PRO  12          1HB       PRO  12  19.865  10.682  -1.999
   97   1HG   PRO  12          2HG       PRO  12  21.085  11.724   0.403
   98   2HG   PRO  12          1HG       PRO  12  20.610  12.598  -1.056
   99   1HD   PRO  12          2HD       PRO  12  19.354  12.727   1.504
  100   2HD   PRO  12          1HD       PRO  12  18.770  13.449  -0.016
  101    H    ASN  13           H        ASN  13  18.342   7.939  -1.410
  102    HA   ASN  13           HA       ASN  13  18.213   5.788  -0.494
  103   1HB   ASN  13          2HB       ASN  13  19.206   6.968   2.100
  104   2HB   ASN  13          1HB       ASN  13  19.510   5.363   1.434
  105   1HD2  ASN  13          1HD2      ASN  13  21.565   7.355   2.221
  106   2HD2  ASN  13          2HD2      ASN  13  22.455   7.697   0.816
  107    H    GLU  14           H        GLU  14  15.811   7.151  -0.481
  108    HA   GLU  14           HA       GLU  14  14.583   6.129   2.035
  109   1HB   GLU  14          2HB       GLU  14  14.306   8.879   0.836
  110   2HB   GLU  14          1HB       GLU  14  13.004   8.187   1.806
  111   1HG   GLU  14          2HG       GLU  14  14.585   7.810   3.660
  112   2HG   GLU  14          1HG       GLU  14  15.879   8.523   2.696
  113    H    CYS  15           H        CYS  15  12.150   5.954   1.761
  114    HA   CYS  15           HA       CYS  15  11.282   5.613  -1.056
  115   1HB   CYS  15          2HB       CYS  15  12.268   3.435   0.261
  116   2HB   CYS  15          1HB       CYS  15  10.570   3.340   0.718
  117    H    GLN  16           H        GLN  16   9.782   7.300  -0.684
  118    HA   GLN  16           HA       GLN  16   7.800   6.895   1.504
  119   1HB   GLN  16          2HB       GLN  16   8.786   9.123   1.391
  120   2HB   GLN  16          1HB       GLN  16   8.335   9.267  -0.308
  121   1HG   GLN  16          2HG       GLN  16   6.001   9.294   0.217
  122   2HG   GLN  16          1HG       GLN  16   6.302   8.797   1.882
  123   1HE2  GLN  16          1HE2      GLN  16   8.560  11.097   0.583
  124   2HE2  GLN  16          2HE2      GLN  16   7.943  12.464   1.378
  125    H    ASP  17           H        ASP  17   5.598   6.648   1.053
  126    HA   ASP  17           HA       ASP  17   4.695   6.724  -1.760
  127   1HB   ASP  17          2HB       ASP  17   5.540   4.305  -0.681
  128   2HB   ASP  17          1HB       ASP  17   3.798   4.262  -0.421
  129    H    LEU  18           H        LEU  18   2.401   6.977  -1.902
  130    HA   LEU  18           HA       LEU  18   0.379   7.886  -1.104
  131   1HB   LEU  18          2HB       LEU  18   0.889   5.859   1.097
  132   2HB   LEU  18          1HB       LEU  18  -0.670   6.572   0.686
  133    HG   LEU  18           HG       LEU  18   0.933   5.106  -1.406
  134   1HD1  LEU  18          1HD1      LEU  18  -0.944   3.910   0.650
  135   2HD1  LEU  18          2HD1      LEU  18   0.759   3.518   0.419
  136   3HD1  LEU  18          3HD1      LEU  18  -0.421   3.077  -0.814
  137   1HD2  LEU  18          1HD2      LEU  18  -0.985   6.404  -2.177
  138   2HD2  LEU  18          2HD2      LEU  18  -2.019   5.658  -0.959
  139   3HD2  LEU  18          3HD2      LEU  18  -1.378   4.690  -2.286
  140    H    LYS  19           H        LYS  19  -0.171   7.810   1.910
  141    HA   LYS  19           HA       LYS  19   1.519  10.185   2.604
  142   1HB   LYS  19          2HB       LYS  19  -1.154  10.235   2.273
  143   2HB   LYS  19          1HB       LYS  19  -1.101   9.739   3.963
  144   1HG   LYS  19          2HG       LYS  19  -1.069  12.053   4.199
  145   2HG   LYS  19          1HG       LYS  19   0.660  11.708   4.164
  146   1HD   LYS  19          2HD       LYS  19   0.548  12.071   1.640
  147   2HD   LYS  19          1HD       LYS  19  -1.074  12.712   1.896
  148   1HE   LYS  19          2HE       LYS  19  -0.010  14.276   3.631
  149   2HE   LYS  19          1HE       LYS  19   1.543  13.795   2.948
  150   1HZ   LYS  19          1HZ       LYS  19   1.039  14.741   0.917
  151   2HZ   LYS  19          2HZ       LYS  19   0.360  15.853   2.006
  152   3HZ   LYS  19          3HZ       LYS  19  -0.633  14.736   1.197
  153    H    GLY  20           H        GLY  20   0.907   6.968   3.397
  154   1HA   GLY  20          2HA       GLY  20   1.716   7.401   6.248
  155   2HA   GLY  20          1HA       GLY  20   0.851   5.983   5.664
  156    H    VAL  21           H        VAL  21   2.634   5.806   3.244
  157    HA   VAL  21           HA       VAL  21   4.660   4.130   4.483
  158    HB   VAL  21           HB       VAL  21   4.618   5.014   1.598
  159   1HG1  VAL  21          1HG1      VAL  21   6.567   3.709   2.479
  160   2HG1  VAL  21          2HG1      VAL  21   5.670   2.857   1.221
  161   3HG1  VAL  21          3HG1      VAL  21   5.449   2.415   2.915
  162   1HG2  VAL  21          1HG2      VAL  21   2.892   3.007   3.053
  163   2HG2  VAL  21          2HG2      VAL  21   3.226   2.853   1.328
  164   3HG2  VAL  21          3HG2      VAL  21   2.386   4.279   1.940
  165    H    SER  22           H        SER  22   6.626   4.778   5.181
  166    HA   SER  22           HA       SER  22   8.210   6.759   3.780
  167   1HB   SER  22          2HB       SER  22   7.159   7.532   6.517
  168   2HB   SER  22          1HB       SER  22   8.267   8.468   5.519
  169    HG   SER  22           HG       SER  22   5.530   8.138   5.340
  170    H    HIS  23           H        HIS  23   9.655   4.902   3.915
  171    HA   HIS  23           HA       HIS  23  11.183   4.887   6.442
  172   1HB   HIS  23          2HB       HIS  23   9.491   2.649   5.482
  173   2HB   HIS  23          1HB       HIS  23  11.125   2.189   5.957
  174    HD1  HIS  23           1HD      HIS  23  11.684   3.917   8.342
  175    HD2  HIS  23           2HD      HIS  23   7.948   2.176   7.720
  176    HE1  HIS  23           1HE      HIS  23  10.553   3.818  10.607
  177    HA   PRO  24           HA       PRO  24  14.663   4.591   3.736
  178   1HB   PRO  24          2HB       PRO  24  15.981   2.462   5.156
  179   2HB   PRO  24          1HB       PRO  24  16.319   4.194   5.223
  180   1HG   PRO  24          2HG       PRO  24  15.032   2.540   7.212
  181   2HG   PRO  24          1HG       PRO  24  15.478   4.245   7.323
  182   1HD   PRO  24          2HD       PRO  24  12.842   3.174   7.118
  183   2HD   PRO  24          1HD       PRO  24  13.311   4.889   7.035
  184    H    LEU  25           H        LEU  25  15.176   3.441   1.858
  185    HA   LEU  25           HA       LEU  25  13.604   1.112   1.208
  186   1HB   LEU  25          2HB       LEU  25  14.708   1.175  -0.938
  187   2HB   LEU  25          1HB       LEU  25  14.375   2.837  -0.457
  188    HG   LEU  25           HG       LEU  25  16.857   2.413   0.668
  189   1HD1  LEU  25          1HD1      LEU  25  16.789   1.023  -2.029
  190   2HD1  LEU  25          2HD1      LEU  25  17.079   0.237  -0.478
  191   3HD1  LEU  25          3HD1      LEU  25  18.245   1.399  -1.108
  192   1HD2  LEU  25          1HD2      LEU  25  16.045   3.546  -2.018
  193   2HD2  LEU  25          2HD2      LEU  25  17.682   3.697  -1.382
  194   3HD2  LEU  25          3HD2      LEU  25  16.328   4.424  -0.515
  195    H    ASN  26           H        ASN  26  14.768  -0.911   0.302
  196    HA   ASN  26           HA       ASN  26  17.375  -1.579   1.319
  197   1HB   ASN  26          2HB       ASN  26  14.946  -2.346   2.906
  198   2HB   ASN  26          1HB       ASN  26  16.287  -3.488   2.814
  199   1HD2  ASN  26          1HD2      ASN  26  15.185  -1.414   4.968
  200   2HD2  ASN  26          2HD2      ASN  26  16.617  -0.701   5.535
  201    H    SER  27           H        SER  27  14.199  -2.906   0.398
  202    HA   SER  27           HA       SER  27  15.291  -4.263  -1.899
  203   1HB   SER  27          2HB       SER  27  15.198  -6.537  -1.194
  204   2HB   SER  27          1HB       SER  27  16.087  -5.699   0.075
  205    HG   SER  27           HG       SER  27  14.188  -7.174   0.602
  206    H    VAL  28           H        VAL  28  13.376  -6.308  -2.136
  207    HA   VAL  28           HA       VAL  28  10.849  -4.703  -2.196
  208    HB   VAL  28           HB       VAL  28  11.348  -5.251  -4.419
  209   1HG1  VAL  28          1HG1      VAL  28  13.258  -6.660  -4.123
  210   2HG1  VAL  28          2HG1      VAL  28  12.089  -7.609  -5.042
  211   3HG1  VAL  28          3HG1      VAL  28  12.299  -7.900  -3.316
  212   1HG2  VAL  28          1HG2      VAL  28   9.757  -7.679  -3.556
  213   2HG2  VAL  28          2HG2      VAL  28   9.699  -6.856  -5.112
  214   3HG2  VAL  28          3HG2      VAL  28   9.064  -6.061  -3.673
  215    H    TRP  29           H        TRP  29   8.846  -6.069  -1.964
  216    HA   TRP  29           HA       TRP  29   9.198  -8.569  -0.431
  217   1HB   TRP  29          2HB       TRP  29   7.751  -7.719   1.430
  218   2HB   TRP  29          1HB       TRP  29   9.317  -6.915   1.344
  219    HD1  TRP  29           HD       TRP  29   5.608  -6.316   0.915
  220    HE1  TRP  29           1HE      TRP  29   5.186  -3.794   0.595
  221    HE3  TRP  29           3HE      TRP  29  10.416  -4.676   0.384
  222    HZ2  TRP  29           2HZ      TRP  29   6.688  -1.394   0.168
  223    HZ3  TRP  29           3HZ      TRP  29  10.890  -2.271   0.024
  224    HH2  TRP  29           HH       TRP  29   9.036  -0.630  -0.085
  225    H    LYS  30           H        LYS  30   7.532  -9.956  -0.840
  226    HA   LYS  30           HA       LYS  30   4.952  -8.870  -1.840
  227   1HB   LYS  30          2HB       LYS  30   6.260  -9.311  -3.861
  228   2HB   LYS  30          1HB       LYS  30   6.640 -10.935  -3.288
  229   1HG   LYS  30          2HG       LYS  30   4.287 -11.569  -3.381
  230   2HG   LYS  30          1HG       LYS  30   3.830  -9.922  -3.813
  231   1HD   LYS  30          2HD       LYS  30   3.880 -10.939  -5.911
  232   2HD   LYS  30          1HD       LYS  30   5.515 -10.287  -5.811
  233   1HE   LYS  30          2HE       LYS  30   6.323 -12.480  -4.976
  234   2HE   LYS  30          1HE       LYS  30   4.688 -13.125  -5.128
  235   1HZ   LYS  30          1HZ       LYS  30   6.184 -13.591  -7.047
  236   2HZ   LYS  30          2HZ       LYS  30   6.189 -11.927  -7.387
  237   3HZ   LYS  30          3HZ       LYS  30   4.737 -12.807  -7.459
  238    H    THR  31           H        THR  31   3.668  -9.692  -0.225
  239    HA   THR  31           HA       THR  31   4.075 -11.970   1.336
  240    HB   THR  31           HB       THR  31   1.896 -11.697   2.063
  241    HG1  THR  31           1HG      THR  31   1.046 -10.840  -0.485
  242   1HG2  THR  31          1HG2      THR  31   3.125  -9.423   1.728
  243   2HG2  THR  31          2HG2      THR  31   1.397  -9.403   2.081
  244   3HG2  THR  31          3HG2      THR  31   1.962  -9.172   0.427
  245    H    LYS  32           H        LYS  32   2.729 -14.061   1.197
  246    HA   LYS  32           HA       LYS  32   3.473 -15.602  -1.012
  247   1HB   LYS  32          2HB       LYS  32   1.365 -17.015  -0.338
  248   2HB   LYS  32          1HB       LYS  32   2.692 -16.849   0.812
  249   1HG   LYS  32          2HG       LYS  32   1.542 -15.155   2.045
  250   2HG   LYS  32          1HG       LYS  32   0.329 -14.963   0.780
  251   1HD   LYS  32          2HD       LYS  32  -0.679 -17.051   1.267
  252   2HD   LYS  32          1HD       LYS  32   0.716 -17.602   2.194
  253   1HE   LYS  32          2HE       LYS  32  -0.920 -15.205   3.036
  254   2HE   LYS  32          1HE       LYS  32  -1.321 -16.842   3.554
  255   1HZ   LYS  32          1HZ       LYS  32   0.590 -15.128   4.632
  256   2HZ   LYS  32          2HZ       LYS  32   1.434 -16.410   3.905
  257   3HZ   LYS  32          3HZ       LYS  32   0.254 -16.729   5.085
  258    H    ASP  33           H        ASP  33   0.538 -13.680  -0.561
  259    HA   ASP  33           HA       ASP  33   0.193 -13.286  -3.386
  260   1HB   ASP  33          2HB       ASP  33  -0.550 -15.738  -3.005
  261   2HB   ASP  33          1HB       ASP  33  -1.947 -15.045  -2.182
  262    H    CYS  34           H        CYS  34   0.152 -11.173  -2.169
  263    HA   CYS  34           HA       CYS  34  -2.654 -10.429  -1.622
  264   1HB   CYS  34          2HB       CYS  34  -0.489  -9.702   0.361
  265   2HB   CYS  34          1HB       CYS  34  -2.230  -9.477   0.529
  266    H    GLU  35           H        GLU  35   0.666  -9.124  -1.393
  267    HA   GLU  35           HA       GLU  35  -0.086  -7.035  -3.362
  268   1HB   GLU  35          2HB       GLU  35  -0.596  -5.944  -1.266
  269   2HB   GLU  35          1HB       GLU  35   0.929  -6.476  -0.561
  270   1HG   GLU  35          2HG       GLU  35   2.202  -5.037  -1.965
  271   2HG   GLU  35          1HG       GLU  35   0.830  -4.740  -3.033
  272    H    GLU  36           H        GLU  36   1.861  -5.830  -4.113
  273    HA   GLU  36           HA       GLU  36   4.453  -7.179  -3.573
  274   1HB   GLU  36          2HB       GLU  36   3.598  -8.355  -5.530
  275   2HB   GLU  36          1HB       GLU  36   3.215  -6.826  -6.321
  276   1HG   GLU  36          2HG       GLU  36   5.536  -6.244  -6.511
  277   2HG   GLU  36          1HG       GLU  36   6.019  -7.570  -5.454
  278    H    CYS  37           H        CYS  37   5.342  -5.318  -2.673
  279    HA   CYS  37           HA       CYS  37   5.335  -2.865  -4.380
  280   1HB   CYS  37          2HB       CYS  37   5.278  -3.263  -1.409
  281   2HB   CYS  37          1HB       CYS  37   5.987  -1.791  -2.073
  282    H    THR  38           H        THR  38   7.255  -2.200  -5.148
  283    HA   THR  38           HA       THR  38   9.747  -3.317  -3.910
  284    HB   THR  38           HB       THR  38  10.665  -3.676  -6.018
  285    HG1  THR  38           1HG      THR  38  10.343  -2.357  -7.654
  286   1HG2  THR  38          1HG2      THR  38   9.112  -4.932  -7.265
  287   2HG2  THR  38          2HG2      THR  38   7.776  -3.858  -6.851
  288   3HG2  THR  38          3HG2      THR  38   8.437  -4.951  -5.635
  289    H    CYS  39           H        CYS  39  11.553  -1.848  -3.838
  290    HA   CYS  39           HA       CYS  39  10.741   1.028  -4.056
  291   1HB   CYS  39          2HB       CYS  39  12.493  -0.494  -2.171
  292   2HB   CYS  39          1HB       CYS  39  12.949   1.168  -2.542
  293    H    GLY  40           H        GLY  40  11.426   1.717  -6.043
  294   1HA   GLY  40          2HA       GLY  40  13.996   0.763  -7.141
  295   2HA   GLY  40          1HA       GLY  40  12.840   1.809  -7.969
  296    H    GLN  41           H        GLN  41  15.865   1.971  -7.113
  297    HA   GLN  41           HA       GLN  41  16.211   4.116  -5.318
  298   1HB   GLN  41          2HB       GLN  41  17.799   3.285  -7.756
  299   2HB   GLN  41          1HB       GLN  41  18.324   4.574  -6.670
  300   1HG   GLN  41          2HG       GLN  41  18.184   2.961  -4.762
  301   2HG   GLN  41          1HG       GLN  41  17.810   1.682  -5.919
  302   1HE2  GLN  41          1HE2      GLN  41  19.548   2.027  -7.983
  303   2HE2  GLN  41          2HE2      GLN  41  21.161   2.009  -7.453
  304    H    ASP  42           H        ASP  42  14.484   4.157  -8.174
  305    HA   ASP  42           HA       ASP  42  14.755   7.134  -8.358
  306   1HB   ASP  42          2HB       ASP  42  13.988   6.429 -10.896
  307   2HB   ASP  42          1HB       ASP  42  15.659   6.727 -10.416
  308    H    ALA  43           H        ALA  43  12.708   4.357  -8.158
  309    HA   ALA  43           HA       ALA  43  10.374   6.089  -7.816
  310   1HB   ALA  43          1HB       ALA  43  10.418   4.092 -10.100
  311   2HB   ALA  43          2HB       ALA  43  10.462   5.845 -10.283
  312   3HB   ALA  43          3HB       ALA  43   9.035   5.066  -9.602
  313    H    ILE  44           H        ILE  44   8.341   4.495  -7.607
  314    HA   ILE  44           HA       ILE  44   9.212   1.997  -6.211
  315    HB   ILE  44           HB       ILE  44   7.056   3.871  -5.196
  316   1HG1  ILE  44          2HG1      ILE  44   9.919   3.518  -4.247
  317   2HG1  ILE  44          1HG1      ILE  44   9.264   4.954  -5.034
  318   1HG2  ILE  44          1HG2      ILE  44   7.031   1.355  -4.657
  319   2HG2  ILE  44          2HG2      ILE  44   6.995   2.460  -3.283
  320   3HG2  ILE  44          3HG2      ILE  44   8.501   1.657  -3.730
  321   1HD1  ILE  44          1HD1      ILE  44   9.277   5.315  -2.624
  322   2HD1  ILE  44          2HD1      ILE  44   8.397   3.810  -2.362
  323   3HD1  ILE  44          3HD1      ILE  44   7.607   5.163  -3.170
  324    H    SER  45           H        SER  45   8.032   0.253  -6.862
  325    HA   SER  45           HA       SER  45   5.547   0.772  -8.450
  326   1HB   SER  45          2HB       SER  45   6.132  -0.963  -9.841
  327   2HB   SER  45          1HB       SER  45   7.751  -0.555  -9.281
  328    HG   SER  45           HG       SER  45   6.023  -2.621  -8.432
  329    H    CYS  46           H        CYS  46   3.643  -0.072  -7.691
  330    HA   CYS  46           HA       CYS  46   3.760  -2.170  -5.572
  331   1HB   CYS  46          2HB       CYS  46   2.516   0.559  -5.390
  332   2HB   CYS  46          1HB       CYS  46   1.769  -0.789  -4.531
  333    H    CYS  47           H        CYS  47   2.329  -3.771  -5.969
  334    HA   CYS  47           HA       CYS  47   0.007  -3.190  -7.774
  335   1HB   CYS  47          2HB       CYS  47   1.380  -5.871  -7.728
  336   2HB   CYS  47          1HB       CYS  47   0.371  -5.164  -8.990
  337    H    ASN  48           H        ASN  48  -1.942  -4.128  -7.142
  338    HA   ASN  48           HA       ASN  48  -1.879  -5.786  -4.645
  339   1HB   ASN  48          2HB       ASN  48  -4.040  -4.676  -4.037
  340   2HB   ASN  48          1HB       ASN  48  -2.677  -3.555  -4.081
  341   1HD2  ASN  48          1HD2      ASN  48  -2.382  -2.886  -6.711
  342   2HD2  ASN  48          2HD2      ASN  48  -3.811  -2.226  -7.346
  343    H    THR  49           H        THR  49  -3.342  -7.508  -4.578
  344    HA   THR  49           HA       THR  49  -5.056  -7.922  -6.996
  345    HB   THR  49           HB       THR  49  -4.365 -10.225  -7.148
  346    HG1  THR  49           1HG      THR  49  -3.865  -9.957  -4.629
  347   1HG2  THR  49          1HG2      THR  49  -2.855  -8.496  -8.153
  348   2HG2  THR  49          2HG2      THR  49  -2.016  -9.983  -7.711
  349   3HG2  THR  49          3HG2      THR  49  -1.879  -8.556  -6.685
  350    H    ALA  50           H        ALA  50  -5.031  -7.494  -3.757
  351    HA   ALA  50           HA       ALA  50  -6.948  -9.613  -3.041
  352   1HB   ALA  50          1HB       ALA  50  -5.174  -8.620  -1.470
  353   2HB   ALA  50          2HB       ALA  50  -6.808  -8.768  -0.820
  354   3HB   ALA  50          3HB       ALA  50  -6.216  -7.201  -1.373
  355    H    ALA  51           H        ALA  51  -9.037  -8.833  -1.910
  356    HA   ALA  51           HA       ALA  51 -10.686  -7.465  -3.747
  357   1HB   ALA  51          1HB       ALA  51 -11.566  -8.881  -1.920
  358   2HB   ALA  51          2HB       ALA  51 -12.309  -7.282  -1.896
  359   3HB   ALA  51          3HB       ALA  51 -11.038  -7.682  -0.739
  360    H    ILE  52           H        ILE  52 -11.494  -5.300  -3.774
  361    HA   ILE  52           HA       ILE  52  -9.715  -3.336  -2.395
  362    HB   ILE  52           HB       ILE  52 -11.500  -2.748  -4.757
  363   1HG1  ILE  52          2HG1      ILE  52 -10.065  -4.635  -5.399
  364   2HG1  ILE  52          1HG1      ILE  52  -9.524  -3.162  -6.200
  365   1HG2  ILE  52          1HG2      ILE  52  -8.959  -1.501  -3.669
  366   2HG2  ILE  52          2HG2      ILE  52 -10.584  -0.823  -3.563
  367   3HG2  ILE  52          3HG2      ILE  52  -9.793  -0.976  -5.132
  368   1HD1  ILE  52          1HD1      ILE  52  -7.853  -2.873  -4.306
  369   2HD1  ILE  52          2HD1      ILE  52  -7.556  -4.254  -5.360
  370   3HD1  ILE  52          3HD1      ILE  52  -8.291  -4.496  -3.778
  371    HA   PRO  53           HA       PRO  53 -13.329  -2.364   0.081
  372   1HB   PRO  53          2HB       PRO  53 -12.369   0.308   0.566
  373   2HB   PRO  53          1HB       PRO  53 -12.332  -1.083   1.654
  374   1HG   PRO  53          2HG       PRO  53 -10.133   0.138   0.256
  375   2HG   PRO  53          1HG       PRO  53 -10.092  -1.220   1.385
  376   1HD   PRO  53          2HD       PRO  53  -9.691  -1.300  -1.455
  377   2HD   PRO  53          1HD       PRO  53  -9.742  -2.677  -0.328
  378    H    THR  54           H        THR  54 -15.309  -1.603  -0.574
  379    HA   THR  54           HA       THR  54 -15.432   0.804  -2.321
  380    HB   THR  54           HB       THR  54 -16.459  -0.244  -4.091
  381    HG1  THR  54           1HG      THR  54 -17.358  -2.529  -2.911
  382   1HG2  THR  54          1HG2      THR  54 -15.205  -2.694  -2.829
  383   2HG2  THR  54          2HG2      THR  54 -14.288  -1.444  -3.670
  384   3HG2  THR  54          3HG2      THR  54 -15.478  -2.404  -4.546
  385    H    GLY  55           H        GLY  55 -18.001   1.180  -2.691
  386   1HA   GLY  55          2HA       GLY  55 -20.104   1.551  -1.692
  387   2HA   GLY  55          1HA       GLY  55 -19.673   0.371  -0.453
  388    H    TYR  56           H        TYR  56 -17.255   1.624   0.433
  389    HA   TYR  56           HA       TYR  56 -18.278   3.422   2.376
  390   1HB   TYR  56          2HB       TYR  56 -16.112   3.566   3.160
  391   2HB   TYR  56          1HB       TYR  56 -15.970   2.109   2.180
  392    HD1  TYR  56           1HD      TYR  56 -15.008   2.246  -0.130
  393    HD2  TYR  56           2HD      TYR  56 -14.978   5.587   2.567
  394    HE1  TYR  56           1HE      TYR  56 -13.274   3.351  -1.517
  395    HE2  TYR  56           2HE      TYR  56 -13.245   6.693   1.181
  396    HH   TYR  56           HH       TYR  56 -11.522   6.079  -0.440
  397    H    ASP  57           H        ASP  57 -18.842   5.535   2.214
  398    HA   ASP  57           HA       ASP  57 -18.997   6.991  -0.157
  399   1HB   ASP  57          2HB       ASP  57 -20.041   7.632   2.038
  400   2HB   ASP  57          1HB       ASP  57 -18.460   8.206   2.568
  401    H    THR  58           H        THR  58 -17.333   7.424  -1.528
  402    HA   THR  58           HA       THR  58 -14.597   7.761  -0.520
  403    HB   THR  58           HB       THR  58 -13.932   7.741  -2.797
  404    HG1  THR  58           1HG      THR  58 -16.378   8.935  -3.115
  405   1HG2  THR  58          1HG2      THR  58 -15.095   5.638  -1.909
  406   2HG2  THR  58          2HG2      THR  58 -14.961   5.776  -3.661
  407   3HG2  THR  58          3HG2      THR  58 -16.491   6.137  -2.862
  408    H    ASN  59           H        ASN  59 -14.705   9.708   0.707
  409    HA   ASN  59           HA       ASN  59 -15.680  12.161  -0.605
  410   1HB   ASN  59          2HB       ASN  59 -15.917  11.561   1.904
  411   2HB   ASN  59          1HB       ASN  59 -14.222  12.033   2.035
  412   1HD2  ASN  59          1HD2      ASN  59 -17.340  13.262   2.276
  413   2HD2  ASN  59          2HD2      ASN  59 -16.999  14.902   2.000
  414    H    LYS  60           H        LYS  60 -12.572  11.020   0.771
  415    HA   LYS  60           HA       LYS  60 -11.053  12.148  -1.410
  416   1HB   LYS  60          2HB       LYS  60  -9.865  13.885  -0.041
  417   2HB   LYS  60          1HB       LYS  60 -11.559  14.270  -0.346
  418   1HG   LYS  60          2HG       LYS  60 -12.184  13.436   1.867
  419   2HG   LYS  60          1HG       LYS  60 -10.520  12.942   2.174
  420   1HD   LYS  60          2HD       LYS  60 -10.618  15.018   3.253
  421   2HD   LYS  60          1HD       LYS  60  -9.948  15.449   1.681
  422   1HE   LYS  60          2HE       LYS  60 -12.141  16.139   0.881
  423   2HE   LYS  60          1HE       LYS  60 -12.900  15.576   2.369
  424   1HZ   LYS  60          1HZ       LYS  60 -10.775  17.332   2.974
  425   2HZ   LYS  60          2HZ       LYS  60 -12.427  17.489   3.341
  426   3HZ   LYS  60          3HZ       LYS  60 -11.822  18.077   1.866
  427    H    CYS  61           H        CYS  61 -11.361   9.743   0.397
  428    HA   CYS  61           HA       CYS  61  -8.636   9.594   1.595
  429   1HB   CYS  61          2HB       CYS  61 -10.834   7.519   1.743
  430   2HB   CYS  61          1HB       CYS  61  -9.429   7.683   2.795
  431    H    GLN  62           H        GLN  62  -7.652   7.276   1.299
  432    HA   GLN  62           HA       GLN  62  -8.034   6.374  -1.527
  433   1HB   GLN  62          2HB       GLN  62  -5.436   5.914  -1.325
  434   2HB   GLN  62          1HB       GLN  62  -6.020   7.517  -1.771
  435   1HG   GLN  62          2HG       GLN  62  -5.810   8.296   0.514
  436   2HG   GLN  62          1HG       GLN  62  -5.401   6.673   1.070
  437   1HE2  GLN  62          1HE2      GLN  62  -3.390   8.061   1.834
  438   2HE2  GLN  62          2HE2      GLN  62  -2.098   8.151   0.738
  439    H    LYS  63           H        LYS  63  -6.929   4.146  -1.814
  440    HA   LYS  63           HA       LYS  63  -7.541   2.500   0.611
  441   1HB   LYS  63          2HB       LYS  63  -7.379   1.505  -2.240
  442   2HB   LYS  63          1HB       LYS  63  -8.127   0.714  -0.854
  443   1HG   LYS  63          2HG       LYS  63 -10.039   1.598  -1.781
  444   2HG   LYS  63          1HG       LYS  63  -9.553   3.001  -0.833
  445   1HD   LYS  63          2HD       LYS  63  -9.883   3.968  -2.928
  446   2HD   LYS  63          1HD       LYS  63  -8.159   3.611  -2.992
  447   1HE   LYS  63          2HE       LYS  63  -8.832   1.356  -4.029
  448   2HE   LYS  63          1HE       LYS  63 -10.430   2.068  -4.251
  449   1HZ   LYS  63          1HZ       LYS  63  -8.411   2.297  -6.000
  450   2HZ   LYS  63          2HZ       LYS  63  -8.233   3.734  -5.112
  451   3HZ   LYS  63          3HZ       LYS  63  -9.705   3.388  -5.888
  452    H    ILE  64           H        ILE  64  -5.951   1.188   1.437
  453    HA   ILE  64           HA       ILE  64  -3.405   0.931  -0.114
  454    HB   ILE  64           HB       ILE  64  -3.338   2.648   1.784
  455   1HG1  ILE  64          2HG1      ILE  64  -1.498   0.240   1.968
  456   2HG1  ILE  64          1HG1      ILE  64  -1.319   1.570   0.824
  457   1HG2  ILE  64          1HG2      ILE  64  -3.259   0.203   3.552
  458   2HG2  ILE  64          2HG2      ILE  64  -4.750   1.104   3.281
  459   3HG2  ILE  64          3HG2      ILE  64  -3.366   1.896   4.032
  460   1HD1  ILE  64          1HD1      ILE  64   0.147   2.074   2.643
  461   2HD1  ILE  64          2HD1      ILE  64  -1.090   1.679   3.838
  462   3HD1  ILE  64          3HD1      ILE  64  -1.252   3.127   2.844
  463    H    LEU  65           H        LEU  65  -2.229  -1.032   0.334
  464    HA   LEU  65           HA       LEU  65  -3.903  -3.152   1.622
  465   1HB   LEU  65          2HB       LEU  65  -3.326  -3.179  -0.946
  466   2HB   LEU  65          1HB       LEU  65  -1.753  -3.749  -0.393
  467    HG   LEU  65           HG       LEU  65  -4.387  -5.017   0.405
  468   1HD1  LEU  65          1HD1      LEU  65  -4.381  -5.786  -1.733
  469   2HD1  LEU  65          2HD1      LEU  65  -3.094  -6.851  -1.173
  470   3HD1  LEU  65          3HD1      LEU  65  -2.695  -5.344  -1.995
  471   1HD2  LEU  65          1HD2      LEU  65  -2.687  -6.930   0.912
  472   2HD2  LEU  65          2HD2      LEU  65  -2.794  -5.585   2.045
  473   3HD2  LEU  65          3HD2      LEU  65  -1.474  -5.651   0.877
  474    H    ASN  66           H        ASN  66  -3.054  -3.458   3.635
  475    HA   ASN  66           HA       ASN  66  -0.189  -3.138   4.149
  476   1HB   ASN  66          2HB       ASN  66  -2.547  -3.995   5.837
  477   2HB   ASN  66          1HB       ASN  66  -0.895  -4.045   6.451
  478   1HD2  ASN  66          1HD2      ASN  66  -1.196  -2.295   7.974
  479   2HD2  ASN  66          2HD2      ASN  66  -1.440  -0.694   7.469
  480    H    LYS  67           H        LYS  67   1.310  -4.777   4.190
  481    HA   LYS  67           HA       LYS  67   0.384  -7.469   3.390
  482   1HB   LYS  67          2HB       LYS  67   3.013  -7.806   3.416
  483   2HB   LYS  67          1HB       LYS  67   2.241  -6.924   2.099
  484   1HG   LYS  67          2HG       LYS  67   4.229  -5.729   3.004
  485   2HG   LYS  67          1HG       LYS  67   2.747  -4.792   3.180
  486   1HD   LYS  67          2HD       LYS  67   2.596  -5.253   5.499
  487   2HD   LYS  67          1HD       LYS  67   3.741  -6.590   5.392
  488   1HE   LYS  67          2HE       LYS  67   4.850  -4.655   6.386
  489   2HE   LYS  67          1HE       LYS  67   5.531  -4.964   4.788
  490   1HZ   LYS  67          1HZ       LYS  67   4.600  -2.586   5.611
  491   2HZ   LYS  67          2HZ       LYS  67   3.239  -3.206   4.804
  492   3HZ   LYS  67          3HZ       LYS  67   4.721  -3.056   3.985
  493    H    LYS  68           H        LYS  68   0.695  -5.936   6.267
  494    HA   LYS  68           HA       LYS  68   2.249  -7.686   7.876
  495   1HB   LYS  68          2HB       LYS  68   1.157  -5.442   8.529
  496   2HB   LYS  68          1HB       LYS  68  -0.311  -6.377   8.809
  497   1HG   LYS  68          2HG       LYS  68   0.621  -6.482  10.927
  498   2HG   LYS  68          1HG       LYS  68   1.355  -7.917  10.212
  499   1HD   LYS  68          2HD       LYS  68   3.311  -6.446   9.532
  500   2HD   LYS  68          1HD       LYS  68   2.602  -5.177  10.531
  501   1HE   LYS  68          2HE       LYS  68   4.152  -6.273  11.959
  502   2HE   LYS  68          1HE       LYS  68   2.578  -6.912  12.427
  503   1HZ   LYS  68          1HZ       LYS  68   4.615  -8.201  10.703
  504   2HZ   LYS  68          2HZ       LYS  68   3.020  -8.769  10.833
  505   3HZ   LYS  68          3HZ       LYS  68   4.030  -8.743  12.199
  506    H    THR  69           H        THR  69  -1.270  -7.705   7.260
  507    HA   THR  69           HA       THR  69  -1.242 -10.659   7.741
  508    HB   THR  69           HB       THR  69  -3.578 -10.320   8.711
  509    HG1  THR  69           1HG      THR  69  -4.085  -8.268   9.365
  510   1HG2  THR  69          1HG2      THR  69  -2.727  -9.786  10.924
  511   2HG2  THR  69          2HG2      THR  69  -1.299  -9.020  10.228
  512   3HG2  THR  69          3HG2      THR  69  -1.528 -10.763  10.075
  513    H    CYS  70           H        CYS  70  -1.188  -8.955   5.272
  514    HA   CYS  70           HA       CYS  70  -2.275  -8.844   3.192
  515   1HB   CYS  70          2HB       CYS  70  -3.209 -11.503   4.293
  516   2HB   CYS  70          1HB       CYS  70  -3.637 -10.954   2.672
  517    H    THR  71           H        THR  71  -3.528  -6.986   4.161
  518    HA   THR  71           HA       THR  71  -6.429  -7.568   3.956
  519    HB   THR  71           HB       THR  71  -6.395  -7.654   6.281
  520    HG1  THR  71           1HG      THR  71  -6.352  -4.929   6.434
  521   1HG2  THR  71          1HG2      THR  71  -4.864  -6.077   7.607
  522   2HG2  THR  71          2HG2      THR  71  -4.070  -5.740   6.068
  523   3HG2  THR  71          3HG2      THR  71  -4.076  -7.379   6.716
  524    H    TYR  72           H        TYR  72  -7.684  -5.477   3.792
  525    HA   TYR  72           HA       TYR  72  -6.011  -3.403   2.429
  526   1HB   TYR  72          2HB       TYR  72  -8.342  -4.795   1.596
  527   2HB   TYR  72          1HB       TYR  72  -8.837  -3.130   1.894
  528    HD1  TYR  72           1HD      TYR  72  -7.293  -1.263   0.905
  529    HD2  TYR  72           2HD      TYR  72  -7.277  -5.349  -0.418
  530    HE1  TYR  72           1HE      TYR  72  -6.242  -0.568  -1.232
  531    HE2  TYR  72           2HE      TYR  72  -6.229  -4.652  -2.556
  532    HH   TYR  72           HH       TYR  72  -6.132  -1.491  -3.610
  533    H    THR  73           H        THR  73  -6.291  -1.229   3.002
  534    HA   THR  73           HA       THR  73  -8.248  -0.619   5.166
  535    HB   THR  73           HB       THR  73  -6.670  -0.098   6.715
  536    HG1  THR  73           1HG      THR  73  -4.674   0.822   5.073
  537   1HG2  THR  73          1HG2      THR  73  -5.791  -2.254   5.845
  538   2HG2  THR  73          2HG2      THR  73  -4.511  -1.218   6.473
  539   3HG2  THR  73          3HG2      THR  73  -4.755  -1.361   4.733
  540    H    VAL  74           H        VAL  74  -8.324   1.857   5.484
  541    HA   VAL  74           HA       VAL  74  -7.800   3.259   2.891
  542    HB   VAL  74           HB       VAL  74 -10.241   3.812   4.577
  543   1HG1  VAL  74          1HG1      VAL  74  -9.885   4.086   1.591
  544   2HG1  VAL  74          2HG1      VAL  74  -9.327   5.343   2.696
  545   3HG1  VAL  74          3HG1      VAL  74 -11.037   4.912   2.641
  546   1HG2  VAL  74          1HG2      VAL  74  -9.901   1.742   2.387
  547   2HG2  VAL  74          2HG2      VAL  74 -11.470   2.336   2.932
  548   3HG2  VAL  74          3HG2      VAL  74 -10.423   1.461   4.048
  549    H    VAL  75           H        VAL  75  -6.445   4.926   3.287
  550    HA   VAL  75           HA       VAL  75  -6.514   6.207   5.993
  551    HB   VAL  75           HB       VAL  75  -4.206   6.961   5.470
  552   1HG1  VAL  75          1HG1      VAL  75  -3.147   4.734   5.601
  553   2HG1  VAL  75          2HG1      VAL  75  -4.660   3.983   5.095
  554   3HG1  VAL  75          3HG1      VAL  75  -4.567   4.819   6.645
  555   1HG2  VAL  75          1HG2      VAL  75  -4.274   7.111   3.072
  556   2HG2  VAL  75          2HG2      VAL  75  -4.742   5.418   2.918
  557   3HG2  VAL  75          3HG2      VAL  75  -3.117   5.837   3.460
  558    H    GLU  76           H        GLU  76  -5.874   8.617   5.873
  559    HA   GLU  76           HA       GLU  76  -7.352   9.861   3.588
  560   1HB   GLU  76          2HB       GLU  76  -7.871  10.122   6.251
  561   2HB   GLU  76          1HB       GLU  76  -6.772  11.479   6.011
  562   1HG   GLU  76          2HG       GLU  76  -9.296  10.928   4.422
  563   2HG   GLU  76          1HG       GLU  76  -9.086  12.196   5.629
  564    H    LYS  77           H        LYS  77  -6.301  11.358   2.332
  565    HA   LYS  77           HA       LYS  77  -3.477  11.459   2.235
  566   1HB   LYS  77          2HB       LYS  77  -5.427  13.577   1.276
  567   2HB   LYS  77          1HB       LYS  77  -3.763  13.378   0.728
  568   1HG   LYS  77          2HG       LYS  77  -5.705  11.083   0.525
  569   2HG   LYS  77          1HG       LYS  77  -5.696  12.347  -0.703
  570   1HD   LYS  77          2HD       LYS  77  -3.222  11.957  -0.985
  571   2HD   LYS  77          1HD       LYS  77  -3.375  10.569   0.094
  572   1HE   LYS  77          2HE       LYS  77  -3.538   9.722  -2.148
  573   2HE   LYS  77          1HE       LYS  77  -5.166   9.686  -1.471
  574   1HZ   LYS  77          1HZ       LYS  77  -4.133  11.221  -3.662
  575   2HZ   LYS  77          2HZ       LYS  77  -4.978  12.173  -2.536
  576   3HZ   LYS  77          3HZ       LYS  77  -5.739  10.842  -3.268
  577    H    LYS  78           H        LYS  78  -5.616  12.992   4.420
  578    HA   LYS  78           HA       LYS  78  -3.427  14.854   5.280
  579   1HB   LYS  78          2HB       LYS  78  -6.435  15.175   5.378
  580   2HB   LYS  78          1HB       LYS  78  -5.334  16.205   6.291
  581   1HG   LYS  78          2HG       LYS  78  -4.788  17.413   4.453
  582   2HG   LYS  78          1HG       LYS  78  -4.490  15.959   3.504
  583   1HD   LYS  78          2HD       LYS  78  -6.301  17.139   2.446
  584   2HD   LYS  78          1HD       LYS  78  -6.999  15.729   3.241
  585   1HE   LYS  78          2HE       LYS  78  -8.445  17.475   3.878
  586   2HE   LYS  78          1HE       LYS  78  -7.364  17.328   5.262
  587   1HZ   LYS  78          1HZ       LYS  78  -6.490  19.105   3.136
  588   2HZ   LYS  78          2HZ       LYS  78  -6.380  19.287   4.821
  589   3HZ   LYS  78          3HZ       LYS  78  -7.841  19.623   4.022
  590    H    ASP  79           H        ASP  79  -4.584  11.969   6.066
  591    HA   ASP  79           HA       ASP  79  -3.973  12.355   8.923
  592   1HB   ASP  79          2HB       ASP  79  -6.525  12.667   8.476
  593   2HB   ASP  79          1HB       ASP  79  -6.536  10.919   8.242
  594    HA   PRO  80           HA       PRO  80  -2.578   8.370   6.860
  595   1HB   PRO  80          2HB       PRO  80   0.024   8.869   7.989
  596   2HB   PRO  80          1HB       PRO  80  -0.446   8.860   6.286
  597   1HG   PRO  80          2HG       PRO  80   0.273  11.118   7.867
  598   2HG   PRO  80          1HG       PRO  80  -0.305  11.116   6.198
  599   1HD   PRO  80          2HD       PRO  80  -1.721  11.952   8.605
  600   2HD   PRO  80          1HD       PRO  80  -2.233  12.103   6.907
  601    H    GLY  81           H        GLY  81  -3.637   9.170   9.692
  602   1HA   GLY  81          2HA       GLY  81  -2.446   6.811  11.102
  603   2HA   GLY  81          1HA       GLY  81  -2.763   8.321  11.955
  604    H    LYS  82           H        LYS  82  -5.266   8.860  10.535
  605    HA   LYS  82           HA       LYS  82  -6.979   6.932  12.024
  606   1HB   LYS  82          2HB       LYS  82  -7.696   9.590  10.749
  607   2HB   LYS  82          1HB       LYS  82  -8.737   8.619  11.792
  608   1HG   LYS  82          2HG       LYS  82  -6.893   8.808  13.560
  609   2HG   LYS  82          1HG       LYS  82  -6.185  10.059  12.537
  610   1HD   LYS  82          2HD       LYS  82  -8.494  11.179  12.578
  611   2HD   LYS  82          1HD       LYS  82  -8.885  10.073  13.895
  612   1HE   LYS  82          2HE       LYS  82  -8.080  12.073  14.932
  613   2HE   LYS  82          1HE       LYS  82  -6.767  10.900  15.050
  614   1HZ   LYS  82          1HZ       LYS  82  -5.471  12.153  13.777
  615   2HZ   LYS  82          2HZ       LYS  82  -6.609  13.400  13.963
  616   3HZ   LYS  82          3HZ       LYS  82  -6.679  12.378  12.608
  617    H    THR  83           H        THR  83  -8.311   5.529  10.945
  618    HA   THR  83           HA       THR  83  -8.059   5.355   8.032
  619    HB   THR  83           HB       THR  83  -9.333   3.304   8.241
  620    HG1  THR  83           1HG      THR  83 -10.055   4.493  10.659
  621   1HG2  THR  83          1HG2      THR  83  -7.893   2.070   9.684
  622   2HG2  THR  83          2HG2      THR  83  -7.611   3.471  10.718
  623   3HG2  THR  83          3HG2      THR  83  -6.927   3.423   9.093
  624    H    CYS  84           H        CYS  84  -9.803   5.608   6.546
  625    HA   CYS  84           HA       CYS  84 -11.795   7.587   7.383
  626   1HB   CYS  84          2HB       CYS  84 -10.998   6.321   4.775
  627   2HB   CYS  84          1HB       CYS  84 -12.527   7.191   4.889
  628    H    ASP  85           H        ASP  85 -14.024   6.900   5.890
  629    HA   ASP  85           HA       ASP  85 -15.246   4.894   7.602
  630   1HB   ASP  85          2HB       ASP  85 -16.202   6.563   5.279
  631   2HB   ASP  85          1HB       ASP  85 -17.219   5.296   5.966
  632    H    VAL  86           H        VAL  86 -16.070   2.854   6.944
  633    HA   VAL  86           HA       VAL  86 -15.097   1.845   4.301
  634    HB   VAL  86           HB       VAL  86 -15.100   0.152   6.800
  635   1HG1  VAL  86          1HG1      VAL  86 -13.687   0.003   4.120
  636   2HG1  VAL  86          2HG1      VAL  86 -14.991  -1.044   4.682
  637   3HG1  VAL  86          3HG1      VAL  86 -13.408  -1.113   5.457
  638   1HG2  VAL  86          1HG2      VAL  86 -12.590   0.624   6.806
  639   2HG2  VAL  86          2HG2      VAL  86 -13.616   1.943   7.369
  640   3HG2  VAL  86          3HG2      VAL  86 -12.937   1.986   5.741
  641    H    THR  87           H        THR  87 -16.313  -0.163   3.630
  642    HA   THR  87           HA       THR  87 -19.005  -0.376   4.893
  643    HB   THR  87           HB       THR  87 -18.458   0.063   1.945
  644    HG1  THR  87           1HG      THR  87 -19.361   1.589   4.054
  645   1HG2  THR  87          1HG2      THR  87 -20.179  -1.578   2.050
  646   2HG2  THR  87          2HG2      THR  87 -21.013  -0.038   1.840
  647   3HG2  THR  87          3HG2      THR  87 -20.943  -0.793   3.432
  648    H    GLY  88           H        GLY  88 -16.660  -1.731   2.596
  649   1HA   GLY  88          2HA       GLY  88 -16.763  -4.352   3.631
  650   2HA   GLY  88          1HA       GLY  88 -17.956  -4.281   2.333
  651    H    TRP  89           H        TRP  89 -16.232  -5.982   1.581
  652    HA   TRP  89           HA       TRP  89 -14.225  -4.539  -0.114
  653   1HB   TRP  89          2HB       TRP  89 -13.744  -7.373   0.743
  654   2HB   TRP  89          1HB       TRP  89 -12.578  -6.106   0.363
  655    HD1  TRP  89           HD       TRP  89 -12.650  -3.963   2.224
  656    HE1  TRP  89           1HE      TRP  89 -12.724  -4.154   4.795
  657    HE3  TRP  89           3HE      TRP  89 -14.404  -8.735   2.706
  658    HZ2  TRP  89           2HZ      TRP  89 -13.433  -6.077   6.790
  659    HZ3  TRP  89           3HZ      TRP  89 -14.768  -9.720   4.951
  660    HH2  TRP  89           HH       TRP  89 -14.286  -8.398   6.992
  661    H    VAL  90           H        VAL  90 -14.371  -5.010  -2.269
  662    HA   VAL  90           HA       VAL  90 -16.247  -7.199  -3.070
  663    HB   VAL  90           HB       VAL  90 -15.388  -4.726  -4.592
  664   1HG1  VAL  90          1HG1      VAL  90 -15.878  -6.435  -6.182
  665   2HG1  VAL  90          2HG1      VAL  90 -17.347  -5.466  -6.066
  666   3HG1  VAL  90          3HG1      VAL  90 -17.248  -7.020  -5.238
  667   1HG2  VAL  90          1HG2      VAL  90 -16.920  -4.398  -2.593
  668   2HG2  VAL  90          2HG2      VAL  90 -18.098  -5.412  -3.426
  669   3HG2  VAL  90          3HG2      VAL  90 -17.595  -3.879  -4.137
  670    H    LEU  91           H        LEU  91 -15.605  -8.600  -4.784
  671    HA   LEU  91           HA       LEU  91 -14.076  -9.865  -6.028
  672   1HB   LEU  91          2HB       LEU  91 -13.644  -7.287  -6.778
  673   2HB   LEU  91          1HB       LEU  91 -12.057  -7.676  -6.121
  674    HG   LEU  91           HG       LEU  91 -13.517  -9.337  -8.201
  675   1HD1  LEU  91          1HD1      LEU  91 -11.655  -8.461  -9.690
  676   2HD1  LEU  91          2HD1      LEU  91 -11.298  -7.288  -8.422
  677   3HD1  LEU  91          3HD1      LEU  91 -12.867  -7.266  -9.228
  678   1HD2  LEU  91          1HD2      LEU  91 -11.292 -10.438  -8.418
  679   2HD2  LEU  91          2HD2      LEU  91 -11.981 -10.648  -6.809
  680   3HD2  LEU  91          3HD2      LEU  91 -10.701  -9.464  -7.072
  Start of MODEL   15
    1   1H    GLN   1          1HT       GLN   1  -4.669  -6.084 -11.234
    2   2H    GLN   1          2HT       GLN   1  -5.811  -4.889 -11.627
    3   3H    GLN   1          3HT       GLN   1  -4.797  -4.689 -10.279
    4    HA   GLN   1           HA       GLN   1  -3.345  -5.112 -12.720
    5   1HB   GLN   1          2HB       GLN   1  -5.204  -2.739 -12.405
    6   2HB   GLN   1          1HB       GLN   1  -3.816  -2.742 -13.495
    7   1HG   GLN   1          2HG       GLN   1  -4.746  -4.786 -14.599
    8   2HG   GLN   1          1HG       GLN   1  -6.179  -4.640 -13.580
    9   1HE2  GLN   1          1HE2      GLN   1  -4.620  -3.431 -16.448
   10   2HE2  GLN   1          2HE2      GLN   1  -5.791  -2.267 -16.843
   11    H    CYS   2           H        CYS   2  -1.309  -4.299 -12.330
   12    HA   CYS   2           HA       CYS   2  -0.808  -3.136  -9.680
   13   1HB   CYS   2          2HB       CYS   2   0.666  -4.875 -10.878
   14   2HB   CYS   2          1HB       CYS   2   1.233  -3.533 -11.874
   15    H    TYR   3           H        TYR   3   0.784  -1.195  -9.632
   16    HA   TYR   3           HA       TYR   3   0.408   0.688 -11.882
   17   1HB   TYR   3          2HB       TYR   3  -0.271   2.437 -10.023
   18   2HB   TYR   3          1HB       TYR   3  -1.499   1.391 -10.735
   19    HD1  TYR   3           1HD      TYR   3  -2.389  -0.540  -9.503
   20    HD2  TYR   3           2HD      TYR   3   0.518   2.089  -7.747
   21    HE1  TYR   3           1HE      TYR   3  -2.882  -1.491  -7.266
   22    HE2  TYR   3           2HE      TYR   3   0.025   1.139  -5.509
   23    HH   TYR   3           HH       TYR   3  -0.899  -0.909  -4.546
   24    H    PHE   4           H        PHE   4   1.783   2.640 -11.594
   25    HA   PHE   4           HA       PHE   4   4.185   2.011  -9.919
   26   1HB   PHE   4          2HB       PHE   4   3.804   3.322 -12.592
   27   2HB   PHE   4          1HB       PHE   4   5.173   3.818 -11.599
   28    HD1  PHE   4           1HD      PHE   4   7.124   2.497 -11.488
   29    HD2  PHE   4           2HD      PHE   4   3.490   0.803 -13.031
   30    HE1  PHE   4           1HE      PHE   4   8.364   0.462 -12.173
   31    HE2  PHE   4           2HE      PHE   4   4.730  -1.232 -13.715
   32    HZ   PHE   4           HZ       PHE   4   7.167  -1.403 -13.287
   33    H    ILE   5           H        ILE   5   4.696   3.420  -8.311
   34    HA   ILE   5           HA       ILE   5   3.186   5.998  -8.183
   35    HB   ILE   5           HB       ILE   5   4.399   4.351  -5.954
   36   1HG1  ILE   5          2HG1      ILE   5   1.487   4.903  -6.588
   37   2HG1  ILE   5          1HG1      ILE   5   2.325   3.432  -7.083
   38   1HG2  ILE   5          1HG2      ILE   5   3.064   5.978  -4.535
   39   2HG2  ILE   5          2HG2      ILE   5   2.849   6.952  -5.990
   40   3HG2  ILE   5          3HG2      ILE   5   4.467   6.676  -5.344
   41   1HD1  ILE   5          1HD1      ILE   5   2.182   4.380  -4.210
   42   2HD1  ILE   5          2HD1      ILE   5   2.759   2.819  -4.794
   43   3HD1  ILE   5          3HD1      ILE   5   1.048   3.226  -4.910
   44    HA   PRO   6           HA       PRO   6   7.497   7.368  -8.933
   45   1HB   PRO   6          2HB       PRO   6   6.483  10.057  -9.150
   46   2HB   PRO   6          1HB       PRO   6   7.089   9.007 -10.435
   47   1HG   PRO   6          2HG       PRO   6   4.384   9.792  -9.957
   48   2HG   PRO   6          1HG       PRO   6   4.984   8.691 -11.201
   49   1HD   PRO   6          2HD       PRO   6   3.477   8.047  -8.811
   50   2HD   PRO   6          1HD       PRO   6   4.009   6.945 -10.106
   51    H    ASN   7           H        ASN   7   8.899   7.912  -7.307
   52    HA   ASN   7           HA       ASN   7   8.215   8.372  -4.660
   53   1HB   ASN   7          2HB       ASN   7  10.529   7.927  -5.469
   54   2HB   ASN   7          1HB       ASN   7  10.613   9.586  -6.066
   55   1HD2  ASN   7          1HD2      ASN   7  11.470   7.715  -3.436
   56   2HD2  ASN   7          2HD2      ASN   7  11.505   8.920  -2.242
   57    H    GLN   8           H        GLN   8   7.880  10.220  -3.365
   58    HA   GLN   8           HA       GLN   8   7.664  12.846  -4.746
   59   1HB   GLN   8          2HB       GLN   8   5.461  13.160  -3.451
   60   2HB   GLN   8          1HB       GLN   8   5.406  12.110  -4.866
   61   1HG   GLN   8          2HG       GLN   8   5.946  10.994  -2.115
   62   2HG   GLN   8          1HG       GLN   8   4.299  11.243  -2.693
   63   1HE2  GLN   8          1HE2      GLN   8   6.786   8.964  -2.608
   64   2HE2  GLN   8          2HE2      GLN   8   6.279   7.983  -3.896
   65    H    SER   9           H        SER   9   9.093  11.201  -2.392
   66    HA   SER   9           HA       SER   9   8.605  12.922  -0.088
   67   1HB   SER   9          2HB       SER   9  10.035  11.501   1.057
   68   2HB   SER   9          1HB       SER   9   9.547  10.433  -0.257
   69    HG   SER   9           HG       SER   9  11.891  12.025  -0.068
   70    H    LEU  10           H        LEU  10  10.194  14.405   0.808
   71    HA   LEU  10           HA       LEU  10  11.612  15.905  -1.281
   72   1HB   LEU  10          2HB       LEU  10  11.210  16.341   1.688
   73   2HB   LEU  10          1HB       LEU  10  12.198  17.411   0.694
   74    HG   LEU  10           HG       LEU  10   9.417  16.758  -0.231
   75   1HD1  LEU  10          1HD1      LEU  10  10.156  18.645   2.015
   76   2HD1  LEU  10          2HD1      LEU  10   8.938  17.370   2.026
   77   3HD1  LEU  10          3HD1      LEU  10   8.678  18.830   1.071
   78   1HD2  LEU  10          1HD2      LEU  10  11.173  18.130  -1.517
   79   2HD2  LEU  10          2HD2      LEU  10  10.936  19.375  -0.292
   80   3HD2  LEU  10          3HD2      LEU  10   9.589  18.876  -1.313
   81    H    LYS  11           H        LYS  11  12.381  13.172   0.239
   82    HA   LYS  11           HA       LYS  11  15.252  13.909   0.658
   83   1HB   LYS  11          2HB       LYS  11  13.394  12.027   2.008
   84   2HB   LYS  11          1HB       LYS  11  15.032  11.426   1.751
   85   1HG   LYS  11          2HG       LYS  11  14.899  12.548   3.920
   86   2HG   LYS  11          1HG       LYS  11  15.926  13.481   2.833
   87   1HD   LYS  11          2HD       LYS  11  14.145  15.047   2.378
   88   2HD   LYS  11          1HD       LYS  11  12.980  14.049   3.248
   89   1HE   LYS  11          2HE       LYS  11  14.042  16.107   4.467
   90   2HE   LYS  11          1HE       LYS  11  13.890  14.582   5.340
   91   1HZ   LYS  11          1HZ       LYS  11  16.173  14.054   4.709
   92   2HZ   LYS  11          2HZ       LYS  11  16.094  15.494   5.607
   93   3HZ   LYS  11          3HZ       LYS  11  16.313  15.550   3.923
   94    HA   PRO  12           HA       PRO  12  15.273  11.516  -3.263
   95   1HB   PRO  12          2HB       PRO  12  18.023  12.314  -3.592
   96   2HB   PRO  12          1HB       PRO  12  16.608  12.861  -4.495
   97   1HG   PRO  12          2HG       PRO  12  18.135  14.346  -2.600
   98   2HG   PRO  12          1HG       PRO  12  16.667  14.858  -3.437
   99   1HD   PRO  12          2HD       PRO  12  16.988  14.126  -0.643
  100   2HD   PRO  12          1HD       PRO  12  15.537  14.762  -1.460
  101    H    ASN  13           H        ASN  13  15.792  10.349  -0.612
  102    HA   ASN  13           HA       ASN  13  17.469   8.129  -1.471
  103   1HB   ASN  13          2HB       ASN  13  18.253   9.614   1.047
  104   2HB   ASN  13          1HB       ASN  13  19.102   8.266   0.291
  105   1HD2  ASN  13          1HD2      ASN  13  18.403  11.736  -0.015
  106   2HD2  ASN  13          2HD2      ASN  13  19.599  12.049  -1.178
  107    H    GLU  14           H        GLU  14  14.720   8.397  -0.815
  108    HA   GLU  14           HA       GLU  14  14.578   6.435   1.392
  109   1HB   GLU  14          2HB       GLU  14  13.255   9.149   1.412
  110   2HB   GLU  14          1HB       GLU  14  12.587   7.794   2.325
  111   1HG   GLU  14          2HG       GLU  14  14.788   7.502   3.443
  112   2HG   GLU  14          1HG       GLU  14  15.382   8.926   2.590
  113    H    CYS  15           H        CYS  15  12.155   5.774   1.618
  114    HA   CYS  15           HA       CYS  15  10.832   5.757  -1.063
  115   1HB   CYS  15          2HB       CYS  15  11.903   3.483   0.490
  116   2HB   CYS  15          1HB       CYS  15  10.242   3.259  -0.059
  117    H    GLN  16           H        GLN  16   9.410   7.363  -0.062
  118    HA   GLN  16           HA       GLN  16   7.662   6.313   2.114
  119   1HB   GLN  16          2HB       GLN  16   8.538   8.510   2.580
  120   2HB   GLN  16          1HB       GLN  16   8.074   9.094   0.981
  121   1HG   GLN  16          2HG       GLN  16   5.953   7.968   2.786
  122   2HG   GLN  16          1HG       GLN  16   6.541   9.604   3.076
  123   1HE2  GLN  16          1HE2      GLN  16   6.878  10.702   0.603
  124   2HE2  GLN  16          2HE2      GLN  16   5.439  10.658  -0.298
  125    H    ASP  17           H        ASP  17   5.379   6.258   1.826
  126    HA   ASP  17           HA       ASP  17   4.340   6.836  -0.898
  127   1HB   ASP  17          2HB       ASP  17   3.645   4.220   0.433
  128   2HB   ASP  17          1HB       ASP  17   3.471   4.677  -1.260
  129    H    LEU  18           H        LEU  18   2.072   7.275  -0.880
  130    HA   LEU  18           HA       LEU  18   0.152   8.191   0.124
  131   1HB   LEU  18          2HB       LEU  18   0.496   6.187   2.344
  132   2HB   LEU  18          1HB       LEU  18  -0.986   6.716   1.547
  133    HG   LEU  18           HG       LEU  18   1.162   4.902   0.417
  134   1HD1  LEU  18          1HD1      LEU  18  -0.697   4.035   1.970
  135   2HD1  LEU  18          2HD1      LEU  18  -0.527   3.235   0.408
  136   3HD1  LEU  18          3HD1      LEU  18  -1.811   4.419   0.657
  137   1HD2  LEU  18          1HD2      LEU  18  -0.615   4.869  -1.541
  138   2HD2  LEU  18          2HD2      LEU  18   0.600   6.143  -1.482
  139   3HD2  LEU  18          3HD2      LEU  18  -1.036   6.462  -0.915
  140    H    LYS  19           H        LYS  19  -0.312   8.086   3.083
  141    HA   LYS  19           HA       LYS  19   1.724  10.142   3.869
  142   1HB   LYS  19          2HB       LYS  19  -1.230  10.057   4.075
  143   2HB   LYS  19          1HB       LYS  19  -0.409  10.606   5.534
  144   1HG   LYS  19          2HG       LYS  19   0.362  11.733   2.848
  145   2HG   LYS  19          1HG       LYS  19  -1.038  12.367   3.710
  146   1HD   LYS  19          2HD       LYS  19   0.291  13.017   5.590
  147   2HD   LYS  19          1HD       LYS  19   1.689  12.121   4.997
  148   1HE   LYS  19          2HE       LYS  19   1.887  13.631   3.083
  149   2HE   LYS  19          1HE       LYS  19   0.432  14.492   3.583
  150   1HZ   LYS  19          1HZ       LYS  19   3.110  14.520   4.765
  151   2HZ   LYS  19          2HZ       LYS  19   1.778  14.715   5.802
  152   3HZ   LYS  19          3HZ       LYS  19   2.025  15.800   4.517
  153    H    GLY  20           H        GLY  20   1.110   7.005   4.364
  154   1HA   GLY  20          2HA       GLY  20   1.764   7.165   7.286
  155   2HA   GLY  20          1HA       GLY  20   0.763   5.887   6.607
  156    H    VAL  21           H        VAL  21   2.561   5.702   4.188
  157    HA   VAL  21           HA       VAL  21   4.372   3.732   5.318
  158    HB   VAL  21           HB       VAL  21   4.410   4.843   2.507
  159   1HG1  VAL  21          1HG1      VAL  21   5.193   2.487   2.036
  160   2HG1  VAL  21          2HG1      VAL  21   5.295   2.240   3.779
  161   3HG1  VAL  21          3HG1      VAL  21   6.316   3.447   2.999
  162   1HG2  VAL  21          1HG2      VAL  21   2.154   4.180   2.809
  163   2HG2  VAL  21          2HG2      VAL  21   2.602   2.815   3.831
  164   3HG2  VAL  21          3HG2      VAL  21   2.920   2.761   2.097
  165    H    SER  22           H        SER  22   6.707   3.794   5.185
  166    HA   SER  22           HA       SER  22   8.191   6.103   4.364
  167   1HB   SER  22          2HB       SER  22   8.841   6.892   6.667
  168   2HB   SER  22          1HB       SER  22   7.168   7.237   6.241
  169    HG   SER  22           HG       SER  22   8.090   5.005   7.740
  170    H    HIS  23           H        HIS  23   9.860   4.817   3.649
  171    HA   HIS  23           HA       HIS  23  11.415   3.363   5.697
  172   1HB   HIS  23          2HB       HIS  23  10.236   2.043   3.236
  173   2HB   HIS  23          1HB       HIS  23  11.533   1.330   4.196
  174    HD1  HIS  23           1HD      HIS  23   7.938   2.506   4.559
  175    HD2  HIS  23           2HD      HIS  23  10.670   0.036   6.512
  176    HE1  HIS  23           1HE      HIS  23   6.652   1.325   6.393
  177    HA   PRO  24           HA       PRO  24  14.780   5.118   3.396
  178   1HB   PRO  24          2HB       PRO  24  16.438   2.773   3.612
  179   2HB   PRO  24          1HB       PRO  24  16.525   4.264   4.553
  180   1HG   PRO  24          2HG       PRO  24  15.536   1.671   5.375
  181   2HG   PRO  24          1HG       PRO  24  15.767   3.123   6.354
  182   1HD   PRO  24          2HD       PRO  24  13.283   1.989   5.565
  183   2HD   PRO  24          1HD       PRO  24  13.530   3.576   6.335
  184    H    LEU  25           H        LEU  25  15.802   4.972   1.305
  185    HA   LEU  25           HA       LEU  25  14.351   3.503  -0.673
  186   1HB   LEU  25          2HB       LEU  25  16.252   5.579  -0.648
  187   2HB   LEU  25          1HB       LEU  25  17.022   4.280  -1.555
  188    HG   LEU  25           HG       LEU  25  14.202   5.233  -2.118
  189   1HD1  LEU  25          1HD1      LEU  25  16.851   6.109  -3.289
  190   2HD1  LEU  25          2HD1      LEU  25  15.611   7.123  -2.553
  191   3HD1  LEU  25          3HD1      LEU  25  15.312   6.356  -4.113
  192   1HD2  LEU  25          1HD2      LEU  25  14.632   4.087  -4.284
  193   2HD2  LEU  25          2HD2      LEU  25  14.747   2.978  -2.920
  194   3HD2  LEU  25          3HD2      LEU  25  16.213   3.587  -3.686
  195    H    ASN  26           H        ASN  26  16.291   2.396  -2.352
  196    HA   ASN  26           HA       ASN  26  17.207   0.249  -2.695
  197   1HB   ASN  26          2HB       ASN  26  18.693   1.242  -0.246
  198   2HB   ASN  26          1HB       ASN  26  19.173  -0.177  -1.176
  199   1HD2  ASN  26          1HD2      ASN  26  20.345   2.724  -0.827
  200   2HD2  ASN  26          2HD2      ASN  26  20.675   3.189  -2.427
  201    H    SER  27           H        SER  27  15.061  -0.721  -2.063
  202    HA   SER  27           HA       SER  27  15.454  -2.806  -0.105
  203   1HB   SER  27          2HB       SER  27  13.714  -0.449   0.623
  204   2HB   SER  27          1HB       SER  27  13.444  -2.044   1.320
  205    HG   SER  27           HG       SER  27  15.549  -0.250   1.668
  206    H    VAL  28           H        VAL  28  14.601  -4.367  -1.405
  207    HA   VAL  28           HA       VAL  28  11.959  -3.853  -2.709
  208    HB   VAL  28           HB       VAL  28  12.734  -6.012  -3.991
  209   1HG1  VAL  28          1HG1      VAL  28  12.506  -3.765  -4.999
  210   2HG1  VAL  28          2HG1      VAL  28  13.927  -4.602  -5.625
  211   3HG1  VAL  28          3HG1      VAL  28  14.112  -3.343  -4.405
  212   1HG2  VAL  28          1HG2      VAL  28  15.110  -6.348  -4.089
  213   2HG2  VAL  28          2HG2      VAL  28  14.676  -6.320  -2.380
  214   3HG2  VAL  28          3HG2      VAL  28  15.414  -4.902  -3.125
  215    H    TRP  29           H        TRP  29  10.233  -5.114  -2.067
  216    HA   TRP  29           HA       TRP  29  10.740  -7.648  -0.628
  217   1HB   TRP  29          2HB       TRP  29   9.361  -6.990   1.298
  218   2HB   TRP  29          1HB       TRP  29  10.755  -5.920   1.144
  219    HD1  TRP  29           HD       TRP  29   6.981  -6.030   0.452
  220    HE1  TRP  29           1HE      TRP  29   6.101  -3.610   0.325
  221    HE3  TRP  29           3HE      TRP  29  11.389  -3.467   0.758
  222    HZ2  TRP  29           2HZ      TRP  29   7.128  -0.941   0.350
  223    HZ3  TRP  29           3HZ      TRP  29  11.408  -0.988   0.705
  224    HH2  TRP  29           HH       TRP  29   9.286   0.276   0.502
  225    H    LYS  30           H        LYS  30   8.875  -9.008  -0.561
  226    HA   LYS  30           HA       LYS  30   6.465  -8.041  -2.024
  227   1HB   LYS  30          2HB       LYS  30   6.435 -10.111  -3.373
  228   2HB   LYS  30          1HB       LYS  30   7.901  -9.180  -3.679
  229   1HG   LYS  30          2HG       LYS  30   9.002 -11.128  -3.261
  230   2HG   LYS  30          1HG       LYS  30   8.679 -10.777  -1.565
  231   1HD   LYS  30          2HD       LYS  30   6.604 -12.087  -1.669
  232   2HD   LYS  30          1HD       LYS  30   6.871 -12.402  -3.382
  233   1HE   LYS  30          2HE       LYS  30   7.662 -14.338  -2.214
  234   2HE   LYS  30          1HE       LYS  30   9.095 -13.446  -2.722
  235   1HZ   LYS  30          1HZ       LYS  30   7.866 -13.545  -0.031
  236   2HZ   LYS  30          2HZ       LYS  30   8.998 -12.356  -0.469
  237   3HZ   LYS  30          3HZ       LYS  30   9.439 -13.997  -0.482
  238    H    THR  31           H        THR  31   4.576  -9.453  -1.619
  239    HA   THR  31           HA       THR  31   4.868 -11.044   0.903
  240    HB   THR  31           HB       THR  31   2.833 -10.158   1.713
  241    HG1  THR  31           1HG      THR  31   1.316  -9.366   0.440
  242   1HG2  THR  31          1HG2      THR  31   4.185  -7.892   0.222
  243   2HG2  THR  31          2HG2      THR  31   4.704  -8.533   1.781
  244   3HG2  THR  31          3HG2      THR  31   3.142  -7.727   1.634
  245    H    LYS  32           H        LYS  32   5.170 -12.784  -0.840
  246    HA   LYS  32           HA       LYS  32   4.302 -14.519  -2.180
  247   1HB   LYS  32          2HB       LYS  32   1.982 -14.266  -0.247
  248   2HB   LYS  32          1HB       LYS  32   2.494 -15.714  -1.113
  249   1HG   LYS  32          2HG       LYS  32   4.758 -15.413   0.089
  250   2HG   LYS  32          1HG       LYS  32   3.906 -14.286   1.141
  251   1HD   LYS  32          2HD       LYS  32   3.513 -16.201   2.353
  252   2HD   LYS  32          1HD       LYS  32   2.160 -16.342   1.232
  253   1HE   LYS  32          2HE       LYS  32   4.803 -17.784   1.181
  254   2HE   LYS  32          1HE       LYS  32   3.177 -18.459   1.107
  255   1HZ   LYS  32          1HZ       LYS  32   4.389 -18.434  -1.048
  256   2HZ   LYS  32          2HZ       LYS  32   4.339 -16.736  -1.010
  257   3HZ   LYS  32          3HZ       LYS  32   2.896 -17.629  -1.083
  258    H    ASP  33           H        ASP  33   1.084 -14.544  -1.955
  259    HA   ASP  33           HA       ASP  33   0.753 -12.910  -4.435
  260   1HB   ASP  33          2HB       ASP  33  -0.974 -15.149  -3.332
  261   2HB   ASP  33          1HB       ASP  33  -1.213 -14.320  -4.871
  262    H    CYS  34           H        CYS  34   0.498 -12.255  -1.350
  263    HA   CYS  34           HA       CYS  34  -2.307 -11.332  -1.262
  264   1HB   CYS  34          2HB       CYS  34  -0.012 -11.346   0.689
  265   2HB   CYS  34          1HB       CYS  34  -1.429 -10.340   0.989
  266    H    GLU  35           H        GLU  35   0.959  -9.954  -1.378
  267    HA   GLU  35           HA       GLU  35  -0.061  -7.570  -2.732
  268   1HB   GLU  35          2HB       GLU  35  -0.533  -6.835  -0.495
  269   2HB   GLU  35          1HB       GLU  35   1.013  -7.436   0.098
  270   1HG   GLU  35          2HG       GLU  35   2.231  -5.745  -1.068
  271   2HG   GLU  35          1HG       GLU  35   0.819  -5.288  -2.022
  272    H    GLU  36           H        GLU  36   1.806  -6.111  -3.328
  273    HA   GLU  36           HA       GLU  36   4.490  -7.322  -3.073
  274   1HB   GLU  36          2HB       GLU  36   3.545  -8.412  -5.074
  275   2HB   GLU  36          1HB       GLU  36   3.173  -6.835  -5.765
  276   1HG   GLU  36          2HG       GLU  36   5.987  -7.502  -4.911
  277   2HG   GLU  36          1HG       GLU  36   5.383  -8.021  -6.484
  278    H    CYS  37           H        CYS  37   6.137  -5.756  -3.316
  279    HA   CYS  37           HA       CYS  37   5.513  -3.115  -4.395
  280   1HB   CYS  37          2HB       CYS  37   5.592  -3.642  -1.456
  281   2HB   CYS  37          1HB       CYS  37   6.317  -2.144  -2.040
  282    H    THR  38           H        THR  38   7.354  -2.214  -5.179
  283    HA   THR  38           HA       THR  38   9.982  -3.139  -4.092
  284    HB   THR  38           HB       THR  38  10.819  -3.133  -6.473
  285    HG1  THR  38           1HG      THR  38   8.373  -2.162  -6.857
  286   1HG2  THR  38          1HG2      THR  38   8.687  -5.047  -5.545
  287   2HG2  THR  38          2HG2      THR  38  10.432  -5.284  -5.599
  288   3HG2  THR  38          3HG2      THR  38   9.496  -5.275  -7.094
  289    H    CYS  39           H        CYS  39  11.722  -1.570  -4.507
  290    HA   CYS  39           HA       CYS  39  10.651   1.205  -4.859
  291   1HB   CYS  39          2HB       CYS  39  12.749   0.013  -3.099
  292   2HB   CYS  39          1HB       CYS  39  13.027   1.648  -3.697
  293    H    GLY  40           H        GLY  40  11.021   1.770  -6.963
  294   1HA   GLY  40          2HA       GLY  40  13.446   0.839  -8.356
  295   2HA   GLY  40          1HA       GLY  40  12.148   1.802  -9.066
  296    H    GLN  41           H        GLN  41  15.293   2.033  -8.484
  297    HA   GLN  41           HA       GLN  41  15.837   4.289  -6.951
  298   1HB   GLN  41          2HB       GLN  41  17.570   2.963  -8.121
  299   2HB   GLN  41          1HB       GLN  41  17.036   3.634  -9.660
  300   1HG   GLN  41          2HG       GLN  41  19.002   4.853  -8.817
  301   2HG   GLN  41          1HG       GLN  41  17.591   5.909  -8.861
  302   1HE2  GLN  41          1HE2      GLN  41  17.175   7.023  -6.945
  303   2HE2  GLN  41          2HE2      GLN  41  17.753   6.573  -5.413
  304    H    ASP  42           H        ASP  42  14.146   4.140 -10.005
  305    HA   ASP  42           HA       ASP  42  14.172   7.121 -10.188
  306   1HB   ASP  42          2HB       ASP  42  13.107   6.649 -12.458
  307   2HB   ASP  42          1HB       ASP  42  14.776   6.111 -12.271
  308    H    ALA  43           H        ALA  43  12.115   4.387  -9.503
  309    HA   ALA  43           HA       ALA  43   9.984   6.197  -8.643
  310   1HB   ALA  43          1HB       ALA  43   9.588   4.358 -11.020
  311   2HB   ALA  43          2HB       ALA  43   9.403   6.111 -10.989
  312   3HB   ALA  43          3HB       ALA  43   8.260   5.088 -10.118
  313    H    ILE  44           H        ILE  44   7.965   4.655  -8.071
  314    HA   ILE  44           HA       ILE  44   9.093   2.211  -6.748
  315    HB   ILE  44           HB       ILE  44   6.798   3.918  -5.741
  316   1HG1  ILE  44          2HG1      ILE  44   9.730   3.898  -4.955
  317   2HG1  ILE  44          1HG1      ILE  44   8.841   5.247  -5.666
  318   1HG2  ILE  44          1HG2      ILE  44   8.492   1.879  -4.279
  319   2HG2  ILE  44          2HG2      ILE  44   6.978   1.462  -5.080
  320   3HG2  ILE  44          3HG2      ILE  44   6.980   2.609  -3.742
  321   1HD1  ILE  44          1HD1      ILE  44   8.921   5.684  -3.317
  322   2HD1  ILE  44          2HD1      ILE  44   8.472   4.025  -2.924
  323   3HD1  ILE  44          3HD1      ILE  44   7.285   5.111  -3.645
  324    H    SER  45           H        SER  45   7.798   0.341  -6.845
  325    HA   SER  45           HA       SER  45   5.340   0.545  -8.549
  326   1HB   SER  45          2HB       SER  45   7.356  -0.504  -9.683
  327   2HB   SER  45          1HB       SER  45   7.258  -1.796  -8.491
  328    HG   SER  45           HG       SER  45   5.217  -0.982 -10.296
  329    H    CYS  46           H        CYS  46   3.559  -0.594  -7.803
  330    HA   CYS  46           HA       CYS  46   3.905  -2.548  -5.617
  331   1HB   CYS  46          2HB       CYS  46   2.610   0.142  -5.302
  332   2HB   CYS  46          1HB       CYS  46   1.988  -1.230  -4.384
  333    H    CYS  47           H        CYS  47   2.387  -4.125  -5.725
  334    HA   CYS  47           HA       CYS  47   0.031  -3.665  -7.524
  335   1HB   CYS  47          2HB       CYS  47   1.325  -6.359  -7.107
  336   2HB   CYS  47          1HB       CYS  47   0.262  -5.840  -8.414
  337    H    ASN  48           H        ASN  48  -1.850  -5.077  -6.961
  338    HA   ASN  48           HA       ASN  48  -1.862  -5.898  -4.084
  339   1HB   ASN  48          2HB       ASN  48  -4.335  -5.015  -4.196
  340   2HB   ASN  48          1HB       ASN  48  -3.021  -3.871  -3.930
  341   1HD2  ASN  48          1HD2      ASN  48  -4.727  -2.329  -4.937
  342   2HD2  ASN  48          2HD2      ASN  48  -4.744  -2.201  -6.630
  343    H    THR  49           H        THR  49  -3.476  -7.531  -3.596
  344    HA   THR  49           HA       THR  49  -4.630  -8.915  -5.980
  345    HB   THR  49           HB       THR  49  -4.001 -11.091  -4.798
  346    HG1  THR  49           1HG      THR  49  -2.083  -9.466  -3.520
  347   1HG2  THR  49          1HG2      THR  49  -1.775 -11.113  -5.752
  348   2HG2  THR  49          2HG2      THR  49  -1.685  -9.353  -5.688
  349   3HG2  THR  49          3HG2      THR  49  -2.810 -10.139  -6.794
  350    H    ALA  50           H        ALA  50  -4.724  -8.245  -2.526
  351    HA   ALA  50           HA       ALA  50  -7.026  -9.843  -1.911
  352   1HB   ALA  50          1HB       ALA  50  -7.255  -8.241   0.044
  353   2HB   ALA  50          2HB       ALA  50  -5.887  -7.350  -0.622
  354   3HB   ALA  50          3HB       ALA  50  -5.678  -9.021  -0.095
  355    H    ALA  51           H        ALA  51  -9.169  -8.776  -1.234
  356    HA   ALA  51           HA       ALA  51 -10.489  -7.669  -3.442
  357   1HB   ALA  51          1HB       ALA  51 -11.221  -7.022  -0.579
  358   2HB   ALA  51          2HB       ALA  51 -11.526  -8.600  -1.304
  359   3HB   ALA  51          3HB       ALA  51 -12.302  -7.161  -1.966
  360    H    ILE  52           H        ILE  52 -11.586  -5.384  -3.328
  361    HA   ILE  52           HA       ILE  52  -9.568  -3.351  -2.490
  362    HB   ILE  52           HB       ILE  52 -11.106  -3.319  -5.103
  363   1HG1  ILE  52          2HG1      ILE  52  -8.622  -3.557  -5.956
  364   2HG1  ILE  52          1HG1      ILE  52  -8.339  -4.258  -4.363
  365   1HG2  ILE  52          1HG2      ILE  52 -10.476  -1.103  -4.073
  366   2HG2  ILE  52          2HG2      ILE  52  -9.743  -1.403  -5.648
  367   3HG2  ILE  52          3HG2      ILE  52  -8.788  -1.602  -4.179
  368   1HD1  ILE  52          1HD1      ILE  52  -9.061  -6.215  -5.221
  369   2HD1  ILE  52          2HD1      ILE  52  -9.644  -5.431  -6.688
  370   3HD1  ILE  52          3HD1      ILE  52 -10.679  -5.516  -5.265
  371    HA   PRO  53           HA       PRO  53 -13.217  -1.654  -0.507
  372   1HB   PRO  53          2HB       PRO  53 -12.113   1.004  -0.579
  373   2HB   PRO  53          1HB       PRO  53 -12.213  -0.104   0.793
  374   1HG   PRO  53          2HG       PRO  53  -9.884   0.643  -0.730
  375   2HG   PRO  53          1HG       PRO  53  -9.974  -0.399   0.692
  376   1HD   PRO  53          2HD       PRO  53  -9.438  -1.193  -2.001
  377   2HD   PRO  53          1HD       PRO  53  -9.672  -2.256  -0.591
  378    H    THR  54           H        THR  54 -15.003  -1.458  -1.817
  379    HA   THR  54           HA       THR  54 -14.901   0.512  -4.072
  380    HB   THR  54           HB       THR  54 -16.702  -0.760  -5.090
  381    HG1  THR  54           1HG      THR  54 -17.771  -2.276  -4.023
  382   1HG2  THR  54          1HG2      THR  54 -14.234  -1.565  -5.158
  383   2HG2  THR  54          2HG2      THR  54 -15.489  -2.686  -5.687
  384   3HG2  THR  54          3HG2      THR  54 -14.782  -2.848  -4.080
  385    H    GLY  55           H        GLY  55 -17.317   1.321  -4.507
  386   1HA   GLY  55          2HA       GLY  55 -18.932   2.834  -3.703
  387   2HA   GLY  55          1HA       GLY  55 -19.238   1.583  -2.496
  388    H    TYR  56           H        TYR  56 -16.036   2.722  -2.456
  389    HA   TYR  56           HA       TYR  56 -16.406   3.895   0.182
  390   1HB   TYR  56          2HB       TYR  56 -14.310   2.966   0.137
  391   2HB   TYR  56          1HB       TYR  56 -14.136   3.204  -1.600
  392    HD1  TYR  56           1HD      TYR  56 -13.794   4.786   1.720
  393    HD2  TYR  56           2HD      TYR  56 -13.221   5.257  -2.510
  394    HE1  TYR  56           1HE      TYR  56 -12.405   6.798   2.131
  395    HE2  TYR  56           2HE      TYR  56 -11.832   7.269  -2.100
  396    HH   TYR  56           HH       TYR  56 -11.837   9.047   0.284
  397    H    ASP  57           H        ASP  57 -17.036   5.962   0.515
  398    HA   ASP  57           HA       ASP  57 -16.107   8.075  -1.367
  399   1HB   ASP  57          2HB       ASP  57 -18.387   7.449  -2.084
  400   2HB   ASP  57          1HB       ASP  57 -18.980   7.731  -0.447
  401    H    THR  58           H        THR  58 -15.598   9.989  -0.308
  402    HA   THR  58           HA       THR  58 -16.661  10.643   2.313
  403    HB   THR  58           HB       THR  58 -15.104   8.942   3.057
  404    HG1  THR  58           1HG      THR  58 -13.519  10.447   4.102
  405   1HG2  THR  58          1HG2      THR  58 -13.691   8.884   1.044
  406   2HG2  THR  58          2HG2      THR  58 -12.704   9.084   2.492
  407   3HG2  THR  58          3HG2      THR  58 -13.035  10.469   1.452
  408    H    ASN  59           H        ASN  59 -13.875  11.945   2.815
  409    HA   ASN  59           HA       ASN  59 -14.470  14.362   1.202
  410   1HB   ASN  59          2HB       ASN  59 -12.569  13.914   3.523
  411   2HB   ASN  59          1HB       ASN  59 -12.851  15.466   2.734
  412   1HD2  ASN  59          1HD2      ASN  59 -13.619  14.119   5.528
  413   2HD2  ASN  59          2HD2      ASN  59 -15.232  14.611   5.720
  414    H    LYS  60           H        LYS  60 -11.531  12.518   2.131
  415    HA   LYS  60           HA       LYS  60 -10.579  12.371  -0.582
  416   1HB   LYS  60          2HB       LYS  60  -8.530  13.906  -0.052
  417   2HB   LYS  60          1HB       LYS  60 -10.048  14.657  -0.545
  418   1HG   LYS  60          2HG       LYS  60 -10.616  15.209   1.714
  419   2HG   LYS  60          1HG       LYS  60  -9.321  14.200   2.356
  420   1HD   LYS  60          2HD       LYS  60  -7.637  15.692   1.634
  421   2HD   LYS  60          1HD       LYS  60  -8.723  16.513   0.513
  422   1HE   LYS  60          2HE       LYS  60  -9.275  16.534   3.477
  423   2HE   LYS  60          1HE       LYS  60  -8.158  17.696   2.759
  424   1HZ   LYS  60          1HZ       LYS  60 -10.113  18.820   2.560
  425   2HZ   LYS  60          2HZ       LYS  60 -11.050  17.415   2.382
  426   3HZ   LYS  60          3HZ       LYS  60 -10.123  17.991   1.080
  427    H    CYS  61           H        CYS  61 -10.816  10.435   1.363
  428    HA   CYS  61           HA       CYS  61  -8.207  10.055   2.677
  429   1HB   CYS  61          2HB       CYS  61 -10.555   8.149   2.462
  430   2HB   CYS  61          1HB       CYS  61  -9.186   8.006   3.561
  431    H    GLN  62           H        GLN  62  -7.334   7.650   2.361
  432    HA   GLN  62           HA       GLN  62  -7.339   7.023  -0.563
  433   1HB   GLN  62          2HB       GLN  62  -5.291   8.322   0.133
  434   2HB   GLN  62          1HB       GLN  62  -4.883   6.988   1.213
  435   1HG   GLN  62          2HG       GLN  62  -4.514   5.494  -0.562
  436   2HG   GLN  62          1HG       GLN  62  -5.438   6.472  -1.703
  437   1HE2  GLN  62          1HE2      GLN  62  -3.197   8.101   0.452
  438   2HE2  GLN  62          2HE2      GLN  62  -2.020   8.445  -0.722
  439    H    LYS  63           H        LYS  63  -6.386   4.770  -0.938
  440    HA   LYS  63           HA       LYS  63  -7.303   2.958   1.262
  441   1HB   LYS  63          2HB       LYS  63  -7.504   1.282  -0.674
  442   2HB   LYS  63          1HB       LYS  63  -8.680   2.597  -0.638
  443   1HG   LYS  63          2HG       LYS  63  -7.374   3.863  -2.266
  444   2HG   LYS  63          1HG       LYS  63  -6.118   2.623  -2.259
  445   1HD   LYS  63          2HD       LYS  63  -7.493   1.047  -3.343
  446   2HD   LYS  63          1HD       LYS  63  -8.971   1.917  -2.933
  447   1HE   LYS  63          2HE       LYS  63  -6.859   3.131  -4.719
  448   2HE   LYS  63          1HE       LYS  63  -8.150   2.117  -5.363
  449   1HZ   LYS  63          1HZ       LYS  63  -8.257   4.818  -4.400
  450   2HZ   LYS  63          2HZ       LYS  63  -9.460   3.828  -3.722
  451   3HZ   LYS  63          3HZ       LYS  63  -9.336   3.984  -5.409
  452    H    ILE  64           H        ILE  64  -5.912   1.392   2.002
  453    HA   ILE  64           HA       ILE  64  -3.262   1.121   0.638
  454    HB   ILE  64           HB       ILE  64  -3.208   2.561   2.728
  455   1HG1  ILE  64          2HG1      ILE  64  -1.682  -0.053   2.935
  456   2HG1  ILE  64          1HG1      ILE  64  -1.244   1.257   1.838
  457   1HG2  ILE  64          1HG2      ILE  64  -3.613  -0.042   4.202
  458   2HG2  ILE  64          2HG2      ILE  64  -4.959   1.044   3.861
  459   3HG2  ILE  64          3HG2      ILE  64  -3.611   1.597   4.853
  460   1HD1  ILE  64          1HD1      ILE  64  -1.299   1.320   4.863
  461   2HD1  ILE  64          2HD1      ILE  64  -1.185   2.780   3.881
  462   3HD1  ILE  64          3HD1      ILE  64   0.089   1.564   3.803
  463    H    LEU  65           H        LEU  65  -2.178  -0.971   1.211
  464    HA   LEU  65           HA       LEU  65  -4.207  -3.102   1.764
  465   1HB   LEU  65          2HB       LEU  65  -3.011  -2.900  -0.556
  466   2HB   LEU  65          1HB       LEU  65  -1.627  -3.589   0.289
  467    HG   LEU  65           HG       LEU  65  -4.387  -4.836   0.313
  468   1HD1  LEU  65          1HD1      LEU  65  -3.264  -6.511  -1.264
  469   2HD1  LEU  65          2HD1      LEU  65  -2.015  -5.289  -1.503
  470   3HD1  LEU  65          3HD1      LEU  65  -3.682  -4.946  -1.958
  471   1HD2  LEU  65          1HD2      LEU  65  -2.847  -6.869   0.889
  472   2HD2  LEU  65          2HD2      LEU  65  -3.188  -5.690   2.151
  473   3HD2  LEU  65          3HD2      LEU  65  -1.650  -5.641   1.295
  474    H    ASN  66           H        ASN  66  -3.908  -4.038   3.715
  475    HA   ASN  66           HA       ASN  66  -1.330  -3.795   5.110
  476   1HB   ASN  66          2HB       ASN  66  -3.622  -3.606   6.226
  477   2HB   ASN  66          1HB       ASN  66  -3.768  -5.350   6.007
  478   1HD2  ASN  66          1HD2      ASN  66  -1.668  -2.864   7.526
  479   2HD2  ASN  66          2HD2      ASN  66  -1.058  -3.894   8.729
  480    H    LYS  67           H        LYS  67   0.204  -5.399   5.160
  481    HA   LYS  67           HA       LYS  67  -0.377  -7.886   3.660
  482   1HB   LYS  67          2HB       LYS  67   2.020  -8.213   3.621
  483   2HB   LYS  67          1HB       LYS  67   1.686  -6.537   3.191
  484   1HG   LYS  67          2HG       LYS  67   3.169  -5.984   4.819
  485   2HG   LYS  67          1HG       LYS  67   1.900  -6.425   5.959
  486   1HD   LYS  67          2HD       LYS  67   2.754  -8.768   5.955
  487   2HD   LYS  67          1HD       LYS  67   4.065  -8.261   4.891
  488   1HE   LYS  67          2HE       LYS  67   5.022  -8.163   7.048
  489   2HE   LYS  67          1HE       LYS  67   4.588  -6.488   6.705
  490   1HZ   LYS  67          1HZ       LYS  67   3.497  -6.593   8.631
  491   2HZ   LYS  67          2HZ       LYS  67   3.534  -8.291   8.682
  492   3HZ   LYS  67          3HZ       LYS  67   2.327  -7.491   7.793
  493    H    LYS  68           H        LYS  68  -0.620  -6.938   6.838
  494    HA   LYS  68           HA       LYS  68   0.647  -9.035   8.271
  495   1HB   LYS  68          2HB       LYS  68  -0.553  -6.938   9.192
  496   2HB   LYS  68          1HB       LYS  68  -2.035  -7.884   9.051
  497   1HG   LYS  68          2HG       LYS  68  -1.069  -9.635  10.484
  498   2HG   LYS  68          1HG       LYS  68   0.429  -8.712  10.613
  499   1HD   LYS  68          2HD       LYS  68  -1.033  -6.792  11.511
  500   2HD   LYS  68          1HD       LYS  68  -2.298  -8.006  11.703
  501   1HE   LYS  68          2HE       LYS  68  -1.097  -7.832  13.802
  502   2HE   LYS  68          1HE       LYS  68  -0.683  -9.376  13.059
  503   1HZ   LYS  68          1HZ       LYS  68   1.306  -8.323  13.827
  504   2HZ   LYS  68          2HZ       LYS  68   0.931  -6.886  13.001
  505   3HZ   LYS  68          3HZ       LYS  68   1.312  -8.294  12.130
  506    H    THR  69           H        THR  69  -2.745  -8.810   7.176
  507    HA   THR  69           HA       THR  69  -2.763 -11.793   6.937
  508    HB   THR  69           HB       THR  69  -5.142 -11.732   7.725
  509    HG1  THR  69           1HG      THR  69  -5.792  -9.819   8.785
  510   1HG2  THR  69          1HG2      THR  69  -2.917 -10.780   9.526
  511   2HG2  THR  69          2HG2      THR  69  -3.563 -12.412   9.356
  512   3HG2  THR  69          3HG2      THR  69  -4.520 -11.163  10.154
  513    H    CYS  70           H        CYS  70  -2.370  -9.647   4.931
  514    HA   CYS  70           HA       CYS  70  -3.163  -9.066   2.798
  515   1HB   CYS  70          2HB       CYS  70  -4.923 -11.514   2.931
  516   2HB   CYS  70          1HB       CYS  70  -4.077 -10.836   1.540
  517    H    THR  71           H        THR  71  -4.334  -7.261   3.889
  518    HA   THR  71           HA       THR  71  -7.266  -7.531   3.454
  519    HB   THR  71           HB       THR  71  -7.860  -7.112   5.613
  520    HG1  THR  71           1HG      THR  71  -5.654  -5.347   5.585
  521   1HG2  THR  71          1HG2      THR  71  -6.240  -7.865   7.296
  522   2HG2  THR  71          2HG2      THR  71  -4.932  -7.712   6.124
  523   3HG2  THR  71          3HG2      THR  71  -6.194  -8.921   5.884
  524    H    TYR  72           H        TYR  72  -8.273  -5.227   3.702
  525    HA   TYR  72           HA       TYR  72  -6.382  -3.224   2.519
  526   1HB   TYR  72          2HB       TYR  72  -8.934  -4.279   1.535
  527   2HB   TYR  72          1HB       TYR  72  -8.939  -2.519   1.645
  528    HD1  TYR  72           1HD      TYR  72  -7.419  -1.163   0.306
  529    HD2  TYR  72           2HD      TYR  72  -7.363  -5.451   0.058
  530    HE1  TYR  72           1HE      TYR  72  -6.059  -1.025  -1.761
  531    HE2  TYR  72           2HE      TYR  72  -6.001  -5.313  -2.009
  532    HH   TYR  72           HH       TYR  72  -4.791  -2.206  -3.206
  533    H    THR  73           H        THR  73  -6.537  -1.129   3.322
  534    HA   THR  73           HA       THR  73  -8.669  -0.569   5.332
  535    HB   THR  73           HB       THR  73  -7.218  -0.243   7.058
  536    HG1  THR  73           1HG      THR  73  -5.261   0.851   6.773
  537   1HG2  THR  73          1HG2      THR  73  -5.218  -1.620   6.980
  538   2HG2  THR  73          2HG2      THR  73  -5.236  -1.607   5.217
  539   3HG2  THR  73          3HG2      THR  73  -6.508  -2.444   6.105
  540    H    VAL  74           H        VAL  74  -8.617   1.869   5.880
  541    HA   VAL  74           HA       VAL  74  -7.792   3.449   3.470
  542    HB   VAL  74           HB       VAL  74 -10.292   4.096   5.016
  543   1HG1  VAL  74          1HG1      VAL  74 -10.932   5.169   2.957
  544   2HG1  VAL  74          2HG1      VAL  74  -9.612   4.398   2.079
  545   3HG1  VAL  74          3HG1      VAL  74  -9.264   5.639   3.283
  546   1HG2  VAL  74          1HG2      VAL  74 -11.482   2.746   3.172
  547   2HG2  VAL  74          2HG2      VAL  74 -10.724   1.821   4.468
  548   3HG2  VAL  74          3HG2      VAL  74  -9.925   1.965   2.902
  549    H    VAL  75           H        VAL  75  -6.405   5.011   4.060
  550    HA   VAL  75           HA       VAL  75  -6.511   6.046   6.867
  551    HB   VAL  75           HB       VAL  75  -4.130   6.881   6.196
  552   1HG1  VAL  75          1HG1      VAL  75  -4.344   5.154   7.832
  553   2HG1  VAL  75          2HG1      VAL  75  -3.210   4.535   6.633
  554   3HG1  VAL  75          3HG1      VAL  75  -4.884   3.983   6.629
  555   1HG2  VAL  75          1HG2      VAL  75  -3.057   5.628   4.420
  556   2HG2  VAL  75          2HG2      VAL  75  -4.512   6.372   3.757
  557   3HG2  VAL  75          3HG2      VAL  75  -4.507   4.658   4.167
  558    H    GLU  76           H        GLU  76  -5.824   8.422   7.006
  559    HA   GLU  76           HA       GLU  76  -7.126   9.928   4.771
  560   1HB   GLU  76          2HB       GLU  76  -7.950   9.984   7.286
  561   2HB   GLU  76          1HB       GLU  76  -6.621  11.127   7.478
  562   1HG   GLU  76          2HG       GLU  76  -7.536  12.491   5.626
  563   2HG   GLU  76          1HG       GLU  76  -8.876  11.356   5.462
  564    H    LYS  77           H        LYS  77  -6.033  11.699   3.875
  565    HA   LYS  77           HA       LYS  77  -3.154  11.618   3.998
  566   1HB   LYS  77          2HB       LYS  77  -4.996  13.725   2.826
  567   2HB   LYS  77          1HB       LYS  77  -3.264  13.603   2.521
  568   1HG   LYS  77          2HG       LYS  77  -5.006  11.206   2.019
  569   2HG   LYS  77          1HG       LYS  77  -4.991  12.510   0.836
  570   1HD   LYS  77          2HD       LYS  77  -2.514  11.085   1.860
  571   2HD   LYS  77          1HD       LYS  77  -3.315  10.727   0.333
  572   1HE   LYS  77          2HE       LYS  77  -1.577  13.016   1.060
  573   2HE   LYS  77          1HE       LYS  77  -1.832  12.252  -0.507
  574   1HZ   LYS  77          1HZ       LYS  77  -3.855  13.977   0.803
  575   2HZ   LYS  77          2HZ       LYS  77  -3.842  13.426  -0.805
  576   3HZ   LYS  77          3HZ       LYS  77  -2.699  14.572  -0.287
  577    H    LYS  78           H        LYS  78  -5.551  13.278   5.847
  578    HA   LYS  78           HA       LYS  78  -3.464  15.122   6.947
  579   1HB   LYS  78          2HB       LYS  78  -6.476  15.289   6.808
  580   2HB   LYS  78          1HB       LYS  78  -5.551  16.291   7.925
  581   1HG   LYS  78          2HG       LYS  78  -4.694  16.200   5.052
  582   2HG   LYS  78          1HG       LYS  78  -6.115  17.155   5.475
  583   1HD   LYS  78          2HD       LYS  78  -4.880  18.546   6.951
  584   2HD   LYS  78          1HD       LYS  78  -3.514  17.431   6.987
  585   1HE   LYS  78          2HE       LYS  78  -4.435  18.930   4.518
  586   2HE   LYS  78          1HE       LYS  78  -3.095  19.432   5.548
  587   1HZ   LYS  78          1HZ       LYS  78  -3.171  17.412   3.536
  588   2HZ   LYS  78          2HZ       LYS  78  -2.613  16.793   5.017
  589   3HZ   LYS  78          3HZ       LYS  78  -1.832  18.122   4.301
  590    H    ASP  79           H        ASP  79  -4.543  12.164   7.603
  591    HA   ASP  79           HA       ASP  79  -3.957  12.408  10.448
  592   1HB   ASP  79          2HB       ASP  79  -6.451  13.033  10.078
  593   2HB   ASP  79          1HB       ASP  79  -6.681  11.311   9.778
  594    HA   PRO  80           HA       PRO  80  -3.037   8.359   8.245
  595   1HB   PRO  80          2HB       PRO  80  -0.446   8.459   9.501
  596   2HB   PRO  80          1HB       PRO  80  -0.834   8.590   7.784
  597   1HG   PRO  80          2HG       PRO  80   0.071  10.664   9.531
  598   2HG   PRO  80          1HG       PRO  80  -0.366  10.801   7.827
  599   1HD   PRO  80          2HD       PRO  80  -1.829  11.771  10.130
  600   2HD   PRO  80          1HD       PRO  80  -2.234  11.970   8.408
  601    H    GLY  81           H        GLY  81  -3.081   9.535  11.475
  602   1HA   GLY  81          2HA       GLY  81  -2.630   6.857  12.662
  603   2HA   GLY  81          1HA       GLY  81  -2.855   8.358  13.560
  604    H    LYS  82           H        LYS  82  -5.117   8.072  11.061
  605    HA   LYS  82           HA       LYS  82  -7.113   6.718  12.817
  606   1HB   LYS  82          2HB       LYS  82  -7.310   9.483  11.613
  607   2HB   LYS  82          1HB       LYS  82  -8.748   8.561  12.049
  608   1HG   LYS  82          2HG       LYS  82  -6.558   8.819  14.081
  609   2HG   LYS  82          1HG       LYS  82  -7.604  10.209  13.798
  610   1HD   LYS  82          2HD       LYS  82  -9.591   8.803  14.222
  611   2HD   LYS  82          1HD       LYS  82  -8.545   7.416  14.519
  612   1HE   LYS  82          2HE       LYS  82  -7.877   8.188  16.579
  613   2HE   LYS  82          1HE       LYS  82  -7.953   9.880  16.087
  614   1HZ   LYS  82          1HZ       LYS  82 -10.497   9.339  15.963
  615   2HZ   LYS  82          2HZ       LYS  82  -9.763   9.764  17.434
  616   3HZ   LYS  82          3HZ       LYS  82 -10.083   8.133  17.079
  617    H    THR  83           H        THR  83  -8.600   5.493  11.658
  618    HA   THR  83           HA       THR  83  -8.027   5.109   8.801
  619    HB   THR  83           HB       THR  83  -9.802   3.328   9.004
  620    HG1  THR  83           1HG      THR  83 -11.055   3.497  10.657
  621   1HG2  THR  83          1HG2      THR  83  -7.352   2.940   9.440
  622   2HG2  THR  83          2HG2      THR  83  -8.422   1.829  10.295
  623   3HG2  THR  83          3HG2      THR  83  -7.679   3.177  11.156
  624    H    CYS  84           H        CYS  84  -9.630   5.376   7.133
  625    HA   CYS  84           HA       CYS  84 -11.499   7.597   7.696
  626   1HB   CYS  84          2HB       CYS  84  -9.919   7.385   5.641
  627   2HB   CYS  84          1HB       CYS  84 -11.131   6.267   5.017
  628    H    ASP  85           H        ASP  85 -13.471   7.035   5.770
  629    HA   ASP  85           HA       ASP  85 -14.971   4.912   7.196
  630   1HB   ASP  85          2HB       ASP  85 -16.104   7.055   6.884
  631   2HB   ASP  85          1HB       ASP  85 -15.849   6.962   5.141
  632    H    VAL  86           H        VAL  86 -16.063   3.224   6.010
  633    HA   VAL  86           HA       VAL  86 -14.973   2.705   3.271
  634    HB   VAL  86           HB       VAL  86 -15.458   0.515   5.293
  635   1HG1  VAL  86          1HG1      VAL  86 -13.795   0.748   2.766
  636   2HG1  VAL  86          2HG1      VAL  86 -15.291  -0.165   2.953
  637   3HG1  VAL  86          3HG1      VAL  86 -13.837  -0.673   3.810
  638   1HG2  VAL  86          1HG2      VAL  86 -12.894   0.594   5.534
  639   2HG2  VAL  86          2HG2      VAL  86 -13.811   1.832   6.391
  640   3HG2  VAL  86          3HG2      VAL  86 -13.001   2.225   4.875
  641    H    THR  87           H        THR  87 -16.364   1.023   2.115
  642    HA   THR  87           HA       THR  87 -19.217   1.196   3.005
  643    HB   THR  87           HB       THR  87 -18.161   1.472   0.176
  644    HG1  THR  87           1HG      THR  87 -18.674   3.225   2.162
  645   1HG2  THR  87          1HG2      THR  87 -20.268   0.312   0.125
  646   2HG2  THR  87          2HG2      THR  87 -20.592   1.994  -0.297
  647   3HG2  THR  87          3HG2      THR  87 -20.961   1.405   1.324
  648    H    GLY  88           H        GLY  88 -16.963  -0.502   0.826
  649   1HA   GLY  88          2HA       GLY  88 -17.792  -3.091   1.804
  650   2HA   GLY  88          1HA       GLY  88 -18.512  -2.752   0.230
  651    H    TRP  89           H        TRP  89 -17.067  -4.739  -0.235
  652    HA   TRP  89           HA       TRP  89 -14.520  -3.725  -1.372
  653   1HB   TRP  89          2HB       TRP  89 -14.343  -6.401  -0.078
  654   2HB   TRP  89          1HB       TRP  89 -13.126  -5.131  -0.205
  655    HD1  TRP  89           HD       TRP  89 -13.622  -2.908   1.420
  656    HE1  TRP  89           1HE      TRP  89 -14.503  -2.881   3.842
  657    HE3  TRP  89           3HE      TRP  89 -15.730  -7.554   1.642
  658    HZ2  TRP  89           2HZ      TRP  89 -15.917  -4.604   5.637
  659    HZ3  TRP  89           3HZ      TRP  89 -16.835  -8.335   3.717
  660    HH2  TRP  89           HH       TRP  89 -16.931  -6.867   5.714
  661    H    VAL  90           H        VAL  90 -13.581  -5.443  -2.892
  662    HA   VAL  90           HA       VAL  90 -15.729  -7.195  -4.014
  663    HB   VAL  90           HB       VAL  90 -15.596  -5.143  -5.377
  664   1HG1  VAL  90          1HG1      VAL  90 -13.618  -4.308  -6.278
  665   2HG1  VAL  90          2HG1      VAL  90 -12.796  -5.865  -6.189
  666   3HG1  VAL  90          3HG1      VAL  90 -13.046  -4.914  -4.724
  667   1HG2  VAL  90          1HG2      VAL  90 -15.920  -7.489  -6.374
  668   2HG2  VAL  90          2HG2      VAL  90 -14.234  -7.386  -6.882
  669   3HG2  VAL  90          3HG2      VAL  90 -15.411  -6.224  -7.493
  670    H    LEU  91           H        LEU  91 -14.941  -9.227  -3.773
  671    HA   LEU  91           HA       LEU  91 -12.039  -9.712  -3.775
  672   1HB   LEU  91          2HB       LEU  91 -13.541 -10.892  -2.178
  673   2HB   LEU  91          1HB       LEU  91 -14.349 -11.666  -3.540
  674    HG   LEU  91           HG       LEU  91 -12.179 -12.675  -4.225
  675   1HD1  LEU  91          1HD1      LEU  91 -10.454 -12.623  -2.211
  676   2HD1  LEU  91          2HD1      LEU  91 -11.242 -11.086  -1.855
  677   3HD1  LEU  91          3HD1      LEU  91 -10.458 -11.336  -3.415
  678   1HD2  LEU  91          1HD2      LEU  91 -13.760 -13.899  -2.754
  679   2HD2  LEU  91          2HD2      LEU  91 -12.952 -13.221  -1.341
  680   3HD2  LEU  91          3HD2      LEU  91 -12.085 -14.328  -2.407
  Start of MODEL   16
    1   1H    GLN   1          1HT       GLN   1  -3.402  -6.218 -12.224
    2   2H    GLN   1          2HT       GLN   1  -4.957  -5.755 -12.726
    3   3H    GLN   1          3HT       GLN   1  -4.336  -5.192 -11.249
    4    HA   GLN   1           HA       GLN   1  -2.984  -4.584 -13.803
    5   1HB   GLN   1          2HB       GLN   1  -5.285  -3.119 -12.480
    6   2HB   GLN   1          1HB       GLN   1  -4.230  -2.383 -13.688
    7   1HG   GLN   1          2HG       GLN   1  -4.863  -4.068 -15.332
    8   2HG   GLN   1          1HG       GLN   1  -5.827  -4.923 -14.127
    9   1HE2  GLN   1          1HE2      GLN   1  -6.020  -1.539 -13.684
   10   2HE2  GLN   1          2HE2      GLN   1  -7.503  -1.283 -14.469
   11    H    CYS   2           H        CYS   2  -0.970  -4.155 -12.991
   12    HA   CYS   2           HA       CYS   2  -0.663  -2.941 -10.324
   13   1HB   CYS   2          2HB       CYS   2   0.880  -4.735 -11.242
   14   2HB   CYS   2          1HB       CYS   2   1.495  -3.526 -12.367
   15    H    TYR   3           H        TYR   3   0.967  -1.040 -10.207
   16    HA   TYR   3           HA       TYR   3   0.837   0.780 -12.533
   17   1HB   TYR   3          2HB       TYR   3  -1.262   1.169 -11.203
   18   2HB   TYR   3          1HB       TYR   3  -0.251   1.620  -9.831
   19    HD1  TYR   3           1HD      TYR   3  -0.635   2.391 -13.485
   20    HD2  TYR   3           2HD      TYR   3   0.305   3.875  -9.566
   21    HE1  TYR   3           1HE      TYR   3  -0.420   4.684 -14.405
   22    HE2  TYR   3           2HE      TYR   3   0.520   6.168 -10.485
   23    HH   TYR   3           HH       TYR   3  -0.537   7.379 -12.667
   24    H    PHE   4           H        PHE   4   2.331   2.582 -12.303
   25    HA   PHE   4           HA       PHE   4   4.452   2.056 -10.256
   26   1HB   PHE   4          2HB       PHE   4   4.507   3.028 -13.096
   27   2HB   PHE   4          1HB       PHE   4   5.772   3.568 -11.993
   28    HD1  PHE   4           1HD      PHE   4   3.973   0.410 -12.946
   29    HD2  PHE   4           2HD      PHE   4   7.683   2.245 -11.790
   30    HE1  PHE   4           1HE      PHE   4   5.135  -1.765 -13.213
   31    HE2  PHE   4           2HE      PHE   4   8.842   0.070 -12.058
   32    HZ   PHE   4           HZ       PHE   4   7.568  -1.935 -12.769
   33    H    ILE   5           H        ILE   5   5.087   3.734  -8.923
   34    HA   ILE   5           HA       ILE   5   3.713   6.362  -9.312
   35    HB   ILE   5           HB       ILE   5   4.279   4.877  -6.739
   36   1HG1  ILE   5          2HG1      ILE   5   2.228   4.349  -8.315
   37   2HG1  ILE   5          1HG1      ILE   5   1.978   4.508  -6.579
   38   1HG2  ILE   5          1HG2      ILE   5   4.651   7.156  -6.225
   39   2HG2  ILE   5          2HG2      ILE   5   2.969   6.881  -5.774
   40   3HG2  ILE   5          3HG2      ILE   5   3.353   7.697  -7.289
   41   1HD1  ILE   5          1HD1      ILE   5   0.379   5.798  -8.176
   42   2HD1  ILE   5          2HD1      ILE   5   1.730   6.911  -8.381
   43   3HD1  ILE   5          3HD1      ILE   5   1.036   6.653  -6.782
   44    HA   PRO   6           HA       PRO   6   8.066   7.582  -9.421
   45   1HB   PRO   6          2HB       PRO   6   7.280  10.344  -9.182
   46   2HB   PRO   6          1HB       PRO   6   7.848   9.488 -10.618
   47   1HG   PRO   6          2HG       PRO   6   5.187  10.390 -10.042
   48   2HG   PRO   6          1HG       PRO   6   5.759   9.535 -11.478
   49   1HD   PRO   6          2HD       PRO   6   4.087   8.514  -9.364
   50   2HD   PRO   6          1HD       PRO   6   4.680   7.647 -10.804
   51    H    ASN   7           H        ASN   7   9.365   7.561  -7.636
   52    HA   ASN   7           HA       ASN   7   8.544   7.770  -4.982
   53   1HB   ASN   7          2HB       ASN   7  10.832   7.049  -5.908
   54   2HB   ASN   7          1HB       ASN   7  11.249   8.764  -5.899
   55   1HD2  ASN   7          1HD2      ASN   7  12.869   7.579  -4.219
   56   2HD2  ASN   7          2HD2      ASN   7  12.362   7.645  -2.601
   57    H    GLN   8           H        GLN   8   7.531   9.457  -4.006
   58    HA   GLN   8           HA       GLN   8   7.848  12.188  -5.019
   59   1HB   GLN   8          2HB       GLN   8   6.407  11.290  -2.508
   60   2HB   GLN   8          1HB       GLN   8   6.166  12.791  -3.400
   61   1HG   GLN   8          2HG       GLN   8   4.509  11.714  -4.512
   62   2HG   GLN   8          1HG       GLN   8   5.784  10.822  -5.340
   63   1HE2  GLN   8          1HE2      GLN   8   5.357   8.616  -5.261
   64   2HE2  GLN   8          2HE2      GLN   8   4.679   7.797  -3.938
   65    H    SER   9           H        SER   9   9.260  10.221  -2.541
   66    HA   SER   9           HA       SER   9  10.050  12.061  -0.597
   67   1HB   SER   9          2HB       SER   9  10.873   9.999  -0.027
   68   2HB   SER   9          1HB       SER   9  11.194   9.556  -1.702
   69    HG   SER   9           HG       SER   9  12.723  11.209   0.021
   70    H    LEU  10           H        LEU  10  12.448  12.883  -0.399
   71    HA   LEU  10           HA       LEU  10  12.947  14.543  -2.802
   72   1HB   LEU  10          2HB       LEU  10  13.885  14.642   0.065
   73   2HB   LEU  10          1HB       LEU  10  14.652  15.624  -1.183
   74    HG   LEU  10           HG       LEU  10  11.661  15.671  -1.011
   75   1HD1  LEU  10          1HD1      LEU  10  11.868  17.551   0.667
   76   2HD1  LEU  10          2HD1      LEU  10  13.540  17.049   0.927
   77   3HD1  LEU  10          3HD1      LEU  10  12.217  15.949   1.317
   78   1HD2  LEU  10          1HD2      LEU  10  11.944  17.875  -1.883
   79   2HD2  LEU  10          2HD2      LEU  10  13.127  16.882  -2.736
   80   3HD2  LEU  10          3HD2      LEU  10  13.642  17.924  -1.409
   81    H    LYS  11           H        LYS  11  15.249  13.146  -0.480
   82    HA   LYS  11           HA       LYS  11  17.022  12.466  -2.753
   83   1HB   LYS  11          2HB       LYS  11  17.700  12.068   0.157
   84   2HB   LYS  11          1HB       LYS  11  18.786  12.402  -1.192
   85   1HG   LYS  11          2HG       LYS  11  16.795  14.321   0.050
   86   2HG   LYS  11          1HG       LYS  11  18.553  14.428   0.127
   87   1HD   LYS  11          2HD       LYS  11  18.526  14.524  -2.426
   88   2HD   LYS  11          1HD       LYS  11  16.783  14.760  -2.304
   89   1HE   LYS  11          2HE       LYS  11  17.226  16.970  -2.078
   90   2HE   LYS  11          1HE       LYS  11  17.834  16.588  -0.467
   91   1HZ   LYS  11          1HZ       LYS  11  19.537  16.331  -2.869
   92   2HZ   LYS  11          2HZ       LYS  11  20.011  16.448  -1.241
   93   3HZ   LYS  11          3HZ       LYS  11  19.382  17.806  -2.046
   94    HA   PRO  12           HA       PRO  12  15.945   8.159  -2.730
   95   1HB   PRO  12          2HB       PRO  12  18.675   7.263  -2.981
   96   2HB   PRO  12          1HB       PRO  12  17.443   7.386  -4.239
   97   1HG   PRO  12          2HG       PRO  12  19.742   9.081  -3.806
   98   2HG   PRO  12          1HG       PRO  12  18.579   9.123  -5.134
   99   1HD   PRO  12          2HD       PRO  12  18.844  11.031  -3.033
  100   2HD   PRO  12          1HD       PRO  12  17.552  10.957  -4.256
  101    H    ASN  13           H        ASN  13  17.817   6.107  -1.803
  102    HA   ASN  13           HA       ASN  13  18.279   4.954   0.181
  103   1HB   ASN  13          2HB       ASN  13  18.855   7.737   1.239
  104   2HB   ASN  13          1HB       ASN  13  19.440   6.217   1.914
  105   1HD2  ASN  13          1HD2      ASN  13  21.446   7.921   1.241
  106   2HD2  ASN  13          2HD2      ASN  13  22.193   7.466  -0.215
  107    H    GLU  14           H        GLU  14  15.559   5.623  -0.267
  108    HA   GLU  14           HA       GLU  14  14.481   5.170   2.352
  109   1HB   GLU  14          2HB       GLU  14  13.283   7.256   2.713
  110   2HB   GLU  14          1HB       GLU  14  15.002   7.616   2.554
  111   1HG   GLU  14          2HG       GLU  14  14.516   8.004   0.057
  112   2HG   GLU  14          1HG       GLU  14  12.812   8.026   0.516
  113    H    CYS  15           H        CYS  15  12.017   5.201   2.251
  114    HA   CYS  15           HA       CYS  15  10.960   5.007  -0.524
  115   1HB   CYS  15          2HB       CYS  15  10.670   2.828   1.569
  116   2HB   CYS  15          1HB       CYS  15   9.912   2.834  -0.025
  117    H    GLN  16           H        GLN  16   9.846   6.976   0.101
  118    HA   GLN  16           HA       GLN  16   7.801   6.683   2.247
  119   1HB   GLN  16          2HB       GLN  16   9.319   8.722   2.116
  120   2HB   GLN  16          1HB       GLN  16   8.468   9.158   0.635
  121   1HG   GLN  16          2HG       GLN  16   6.310   9.046   1.940
  122   2HG   GLN  16          1HG       GLN  16   7.278   8.848   3.402
  123   1HE2  GLN  16          1HE2      GLN  16   9.205  10.635   3.428
  124   2HE2  GLN  16          2HE2      GLN  16   8.679  12.216   3.107
  125    H    ASP  17           H        ASP  17   5.585   6.820   1.771
  126    HA   ASP  17           HA       ASP  17   4.729   7.386  -0.993
  127   1HB   ASP  17          2HB       ASP  17   5.370   4.881  -0.781
  128   2HB   ASP  17          1HB       ASP  17   3.923   4.738   0.217
  129    H    LEU  18           H        LEU  18   2.324   7.528  -1.103
  130    HA   LEU  18           HA       LEU  18   0.381   8.497  -0.190
  131   1HB   LEU  18          2HB       LEU  18   0.741   5.917   0.787
  132   2HB   LEU  18          1HB       LEU  18   0.449   6.849   2.253
  133    HG   LEU  18           HG       LEU  18  -1.319   6.988  -0.207
  134   1HD1  LEU  18          1HD1      LEU  18  -2.907   5.671   1.319
  135   2HD1  LEU  18          2HD1      LEU  18  -1.483   5.295   2.290
  136   3HD1  LEU  18          3HD1      LEU  18  -1.569   4.767   0.610
  137   1HD2  LEU  18          1HD2      LEU  18  -1.766   7.870   2.663
  138   2HD2  LEU  18          2HD2      LEU  18  -2.879   8.100   1.314
  139   3HD2  LEU  18          3HD2      LEU  18  -1.336   8.952   1.339
  140    H    LYS  19           H        LYS  19  -0.124   8.542   2.777
  141    HA   LYS  19           HA       LYS  19   1.811  10.728   3.455
  142   1HB   LYS  19          2HB       LYS  19  -0.852  11.058   3.124
  143   2HB   LYS  19          1HB       LYS  19  -0.835  10.601   4.826
  144   1HG   LYS  19          2HG       LYS  19  -0.564  12.920   4.959
  145   2HG   LYS  19          1HG       LYS  19   1.109  12.363   5.000
  146   1HD   LYS  19          2HD       LYS  19   0.972  12.584   2.387
  147   2HD   LYS  19          1HD       LYS  19  -0.405  13.630   2.728
  148   1HE   LYS  19          2HE       LYS  19   0.989  15.061   4.141
  149   2HE   LYS  19          1HE       LYS  19   2.369  13.987   3.903
  150   1HZ   LYS  19          1HZ       LYS  19   2.389  15.945   2.430
  151   2HZ   LYS  19          2HZ       LYS  19   0.946  15.402   1.715
  152   3HZ   LYS  19          3HZ       LYS  19   2.366  14.480   1.575
  153    H    GLY  20           H        GLY  20   1.066   7.593   4.177
  154   1HA   GLY  20          2HA       GLY  20   1.842   7.928   7.054
  155   2HA   GLY  20          1HA       GLY  20   0.839   6.605   6.465
  156    H    VAL  21           H        VAL  21   2.592   6.349   4.016
  157    HA   VAL  21           HA       VAL  21   4.451   4.439   5.177
  158    HB   VAL  21           HB       VAL  21   4.558   5.422   2.328
  159   1HG1  VAL  21          1HG1      VAL  21   6.265   3.819   3.016
  160   2HG1  VAL  21          2HG1      VAL  21   5.118   3.022   1.939
  161   3HG1  VAL  21          3HG1      VAL  21   5.030   2.748   3.679
  162   1HG2  VAL  21          1HG2      VAL  21   2.219   5.052   2.639
  163   2HG2  VAL  21          2HG2      VAL  21   2.505   3.630   3.641
  164   3HG2  VAL  21          3HG2      VAL  21   2.834   3.570   1.911
  165    H    SER  22           H        SER  22   6.440   4.933   5.953
  166    HA   SER  22           HA       SER  22   8.186   6.819   4.592
  167   1HB   SER  22          2HB       SER  22   7.078   7.552   7.318
  168   2HB   SER  22          1HB       SER  22   8.416   8.375   6.521
  169    HG   SER  22           HG       SER  22   6.349   8.147   4.830
  170    H    HIS  23           H        HIS  23   9.729   5.151   4.616
  171    HA   HIS  23           HA       HIS  23  11.034   4.698   7.229
  172   1HB   HIS  23          2HB       HIS  23  11.121   2.139   6.369
  173   2HB   HIS  23          1HB       HIS  23   9.834   2.735   7.416
  174    HD1  HIS  23           1HD      HIS  23  10.529   2.511   3.664
  175    HD2  HIS  23           2HD      HIS  23   7.335   2.310   6.335
  176    HE1  HIS  23           1HE      HIS  23   8.474   1.977   2.284
  177    HA   PRO  24           HA       PRO  24  14.746   4.997   4.864
  178   1HB   PRO  24          2HB       PRO  24  15.976   2.611   5.913
  179   2HB   PRO  24          1HB       PRO  24  16.280   4.290   6.367
  180   1HG   PRO  24          2HG       PRO  24  14.821   2.257   7.832
  181   2HG   PRO  24          1HG       PRO  24  15.284   3.878   8.358
  182   1HD   PRO  24          2HD       PRO  24  12.659   2.997   7.758
  183   2HD   PRO  24          1HD       PRO  24  13.175   4.685   7.993
  184    H    LEU  25           H        LEU  25  16.375   3.200   3.669
  185    HA   LEU  25           HA       LEU  25  14.923   2.269   1.432
  186   1HB   LEU  25          2HB       LEU  25  17.563   2.528   1.995
  187   2HB   LEU  25          1HB       LEU  25  17.405   0.779   2.141
  188    HG   LEU  25           HG       LEU  25  16.524   2.422  -0.252
  189   1HD1  LEU  25          1HD1      LEU  25  18.831   0.475   0.037
  190   2HD1  LEU  25          2HD1      LEU  25  19.003   2.231   0.054
  191   3HD1  LEU  25          3HD1      LEU  25  18.421   1.416  -1.398
  192   1HD2  LEU  25          1HD2      LEU  25  15.118   0.503  -0.112
  193   2HD2  LEU  25          2HD2      LEU  25  16.453  -0.530   0.403
  194   3HD2  LEU  25          3HD2      LEU  25  16.385   0.061  -1.257
  195    H    ASN  26           H        ASN  26  13.096   1.115   2.319
  196    HA   ASN  26           HA       ASN  26  13.418  -1.210   3.982
  197   1HB   ASN  26          2HB       ASN  26  11.309   0.187   3.725
  198   2HB   ASN  26          1HB       ASN  26  11.075  -0.610   2.169
  199   1HD2  ASN  26          1HD2      ASN  26  10.392  -2.830   2.170
  200   2HD2  ASN  26          2HD2      ASN  26   9.977  -3.657   3.593
  201    H    SER  27           H        SER  27  14.723  -0.904   1.121
  202    HA   SER  27           HA       SER  27  15.300  -2.387  -0.610
  203   1HB   SER  27          2HB       SER  27  14.293  -4.577   1.210
  204   2HB   SER  27          1HB       SER  27  15.576  -4.667   0.008
  205    HG   SER  27           HG       SER  27  16.083  -4.367   2.396
  206    H    VAL  28           H        VAL  28  14.043  -4.877  -1.264
  207    HA   VAL  28           HA       VAL  28  11.410  -3.863  -2.250
  208    HB   VAL  28           HB       VAL  28  11.756  -5.777  -3.928
  209   1HG1  VAL  28          1HG1      VAL  28  13.075  -4.389  -5.374
  210   2HG1  VAL  28          2HG1      VAL  28  13.861  -3.606  -4.003
  211   3HG1  VAL  28          3HG1      VAL  28  12.159  -3.296  -4.338
  212   1HG2  VAL  28          1HG2      VAL  28  14.590  -5.551  -2.877
  213   2HG2  VAL  28          2HG2      VAL  28  14.049  -6.561  -4.217
  214   3HG2  VAL  28          3HG2      VAL  28  13.518  -6.917  -2.574
  215    H    TRP  29           H        TRP  29   9.573  -5.024  -1.745
  216    HA   TRP  29           HA       TRP  29   9.903  -7.692  -0.446
  217   1HB   TRP  29          2HB       TRP  29   8.260  -7.065   1.276
  218   2HB   TRP  29          1HB       TRP  29   9.662  -5.996   1.341
  219    HD1  TRP  29           HD       TRP  29   5.958  -6.039   0.643
  220    HE1  TRP  29           1HE      TRP  29   5.130  -3.630   0.248
  221    HE3  TRP  29           3HE      TRP  29  10.437  -3.601   0.374
  222    HZ2  TRP  29           2HZ      TRP  29   6.224  -1.012  -0.132
  223    HZ3  TRP  29           3HZ      TRP  29  10.514  -1.153  -0.005
  224    HH2  TRP  29           HH       TRP  29   8.417   0.143  -0.257
  225    H    LYS  30           H        LYS  30   8.394  -9.159  -1.126
  226    HA   LYS  30           HA       LYS  30   5.967  -8.147  -2.536
  227   1HB   LYS  30          2HB       LYS  30   6.358 -10.095  -4.177
  228   2HB   LYS  30          1HB       LYS  30   7.385  -8.675  -4.367
  229   1HG   LYS  30          2HG       LYS  30   8.359 -10.815  -2.523
  230   2HG   LYS  30          1HG       LYS  30   8.399 -11.166  -4.249
  231   1HD   LYS  30          2HD       LYS  30   9.465  -8.527  -3.284
  232   2HD   LYS  30          1HD       LYS  30  10.455  -9.972  -3.087
  233   1HE   LYS  30          2HE       LYS  30   9.195  -9.220  -5.732
  234   2HE   LYS  30          1HE       LYS  30  10.806  -8.678  -5.259
  235   1HZ   LYS  30          1HZ       LYS  30  10.689 -10.794  -6.592
  236   2HZ   LYS  30          2HZ       LYS  30  10.011 -11.530  -5.218
  237   3HZ   LYS  30          3HZ       LYS  30  11.578 -10.877  -5.150
  238    H    THR  31           H        THR  31   4.151  -9.484  -2.291
  239    HA   THR  31           HA       THR  31   4.378 -11.497  -0.130
  240    HB   THR  31           HB       THR  31   1.938 -11.417  -0.088
  241    HG1  THR  31           1HG      THR  31   1.345 -11.166  -2.153
  242   1HG2  THR  31          1HG2      THR  31   3.600  -8.982   0.083
  243   2HG2  THR  31          2HG2      THR  31   2.461  -9.654   1.248
  244   3HG2  THR  31          3HG2      THR  31   1.873  -8.676  -0.096
  245    H    LYS  32           H        LYS  32   3.086 -13.559  -0.438
  246    HA   LYS  32           HA       LYS  32   3.759 -14.707  -3.082
  247   1HB   LYS  32          2HB       LYS  32   4.041 -15.717  -0.576
  248   2HB   LYS  32          1HB       LYS  32   2.467 -16.390  -0.992
  249   1HG   LYS  32          2HG       LYS  32   3.431 -17.294  -3.097
  250   2HG   LYS  32          1HG       LYS  32   5.011 -16.671  -2.622
  251   1HD   LYS  32          2HD       LYS  32   3.489 -18.480  -0.756
  252   2HD   LYS  32          1HD       LYS  32   4.413 -19.168  -2.089
  253   1HE   LYS  32          2HE       LYS  32   5.514 -17.332   0.062
  254   2HE   LYS  32          1HE       LYS  32   5.789 -19.068  -0.053
  255   1HZ   LYS  32          1HZ       LYS  32   6.777 -18.665  -2.268
  256   2HZ   LYS  32          2HZ       LYS  32   7.644 -17.938  -1.001
  257   3HZ   LYS  32          3HZ       LYS  32   6.642 -16.995  -1.998
  258    H    ASP  33           H        ASP  33   1.084 -13.356  -1.478
  259    HA   ASP  33           HA       ASP  33  -0.679 -13.859  -3.700
  260   1HB   ASP  33          2HB       ASP  33  -0.669 -16.100  -2.467
  261   2HB   ASP  33          1HB       ASP  33  -1.477 -15.263  -1.142
  262    H    CYS  34           H        CYS  34   0.028 -11.489  -2.548
  263    HA   CYS  34           HA       CYS  34  -2.560 -10.553  -1.486
  264   1HB   CYS  34          2HB       CYS  34   0.024 -10.083   0.026
  265   2HB   CYS  34          1HB       CYS  34  -1.556  -9.424   0.446
  266    H    GLU  35           H        GLU  35   0.676  -9.085  -1.419
  267    HA   GLU  35           HA       GLU  35  -0.150  -7.260  -3.623
  268   1HB   GLU  35          2HB       GLU  35  -0.520  -6.324  -1.224
  269   2HB   GLU  35          1HB       GLU  35   1.237  -6.203  -1.161
  270   1HG   GLU  35          2HG       GLU  35   1.134  -4.917  -3.330
  271   2HG   GLU  35          1HG       GLU  35  -0.620  -4.885  -3.151
  272    H    GLU  36           H        GLU  36   1.727  -6.106  -4.555
  273    HA   GLU  36           HA       GLU  36   4.365  -7.378  -3.974
  274   1HB   GLU  36          2HB       GLU  36   3.329  -6.861  -6.775
  275   2HB   GLU  36          1HB       GLU  36   4.808  -7.707  -6.320
  276   1HG   GLU  36          2HG       GLU  36   3.349  -9.397  -5.116
  277   2HG   GLU  36          1HG       GLU  36   1.957  -8.623  -5.873
  278    H    CYS  37           H        CYS  37   5.277  -5.526  -3.079
  279    HA   CYS  37           HA       CYS  37   5.262  -3.077  -4.796
  280   1HB   CYS  37          2HB       CYS  37   5.120  -3.408  -1.811
  281   2HB   CYS  37          1HB       CYS  37   5.738  -1.915  -2.520
  282    H    THR  38           H        THR  38   7.182  -2.157  -5.277
  283    HA   THR  38           HA       THR  38   9.651  -3.267  -3.991
  284    HB   THR  38           HB       THR  38  10.747  -3.282  -6.153
  285    HG1  THR  38           1HG      THR  38   9.926  -1.642  -7.268
  286   1HG2  THR  38          1HG2      THR  38   9.439  -4.986  -7.319
  287   2HG2  THR  38          2HG2      THR  38   7.991  -4.509  -6.431
  288   3HG2  THR  38          3HG2      THR  38   9.345  -5.252  -5.578
  289    H    CYS  39           H        CYS  39  11.409  -1.725  -3.886
  290    HA   CYS  39           HA       CYS  39  10.486   1.113  -4.146
  291   1HB   CYS  39          2HB       CYS  39  11.171   0.118  -1.853
  292   2HB   CYS  39          1HB       CYS  39  12.821   0.190  -2.471
  293    H    GLY  40           H        GLY  40  11.170   1.590  -6.241
  294   1HA   GLY  40          2HA       GLY  40  13.903   0.872  -7.083
  295   2HA   GLY  40          1HA       GLY  40  12.699   1.701  -8.071
  296    H    GLN  41           H        GLN  41  15.616   2.209  -6.777
  297    HA   GLN  41           HA       GLN  41  15.540   4.588  -5.298
  298   1HB   GLN  41          2HB       GLN  41  17.523   3.755  -7.436
  299   2HB   GLN  41          1HB       GLN  41  17.785   5.069  -6.290
  300   1HG   GLN  41          2HG       GLN  41  17.420   3.411  -4.425
  301   2HG   GLN  41          1HG       GLN  41  17.402   2.134  -5.642
  302   1HE2  GLN  41          1HE2      GLN  41  19.452   2.904  -7.368
  303   2HE2  GLN  41          2HE2      GLN  41  20.930   2.950  -6.534
  304    H    ASP  42           H        ASP  42  14.432   4.090  -8.471
  305    HA   ASP  42           HA       ASP  42  14.511   7.036  -9.019
  306   1HB   ASP  42          2HB       ASP  42  14.234   4.757 -11.002
  307   2HB   ASP  42          1HB       ASP  42  14.348   6.472 -11.395
  308    H    ALA  43           H        ALA  43  12.507   4.215  -8.620
  309    HA   ALA  43           HA       ALA  43  10.123   5.909  -8.533
  310   1HB   ALA  43          1HB       ALA  43   8.903   4.731 -10.306
  311   2HB   ALA  43          2HB       ALA  43  10.323   3.744 -10.650
  312   3HB   ALA  43          3HB       ALA  43  10.356   5.477 -10.971
  313    H    ILE  44           H        ILE  44   8.243   4.697  -7.745
  314    HA   ILE  44           HA       ILE  44   9.040   2.169  -6.340
  315    HB   ILE  44           HB       ILE  44   7.034   4.322  -5.601
  316   1HG1  ILE  44          2HG1      ILE  44   9.419   3.218  -4.087
  317   2HG1  ILE  44          1HG1      ILE  44   9.487   4.669  -5.090
  318   1HG2  ILE  44          1HG2      ILE  44   5.972   2.265  -5.020
  319   2HG2  ILE  44          2HG2      ILE  44   6.733   2.832  -3.535
  320   3HG2  ILE  44          3HG2      ILE  44   7.490   1.550  -4.479
  321   1HD1  ILE  44          1HD1      ILE  44   7.699   5.692  -3.716
  322   2HD1  ILE  44          2HD1      ILE  44   9.103   5.268  -2.733
  323   3HD1  ILE  44          3HD1      ILE  44   7.663   4.248  -2.701
  324    H    SER  45           H        SER  45   7.924   0.354  -6.916
  325    HA   SER  45           HA       SER  45   5.505   0.706  -8.646
  326   1HB   SER  45          2HB       SER  45   6.085  -1.273  -9.761
  327   2HB   SER  45          1HB       SER  45   7.659  -0.546  -9.446
  328    HG   SER  45           HG       SER  45   7.435  -1.838  -7.369
  329    H    CYS  46           H        CYS  46   3.621  -0.449  -8.121
  330    HA   CYS  46           HA       CYS  46   3.665  -2.267  -5.794
  331   1HB   CYS  46          2HB       CYS  46   2.479   0.471  -5.787
  332   2HB   CYS  46          1HB       CYS  46   1.549  -0.809  -5.008
  333    H    CYS  47           H        CYS  47   2.148  -3.856  -6.020
  334    HA   CYS  47           HA       CYS  47  -0.033  -3.449  -8.028
  335   1HB   CYS  47          2HB       CYS  47   1.310  -6.123  -7.712
  336   2HB   CYS  47          1HB       CYS  47   0.415  -5.485  -9.090
  337    H    ASN  48           H        ASN  48  -2.017  -4.254  -7.374
  338    HA   ASN  48           HA       ASN  48  -2.073  -5.784  -4.795
  339   1HB   ASN  48          2HB       ASN  48  -4.274  -4.590  -4.388
  340   2HB   ASN  48          1HB       ASN  48  -2.846  -3.557  -4.311
  341   1HD2  ASN  48          1HD2      ASN  48  -5.922  -3.782  -5.694
  342   2HD2  ASN  48          2HD2      ASN  48  -5.705  -2.686  -6.972
  343    H    THR  49           H        THR  49  -3.480  -7.527  -4.733
  344    HA   THR  49           HA       THR  49  -5.232  -7.974  -7.115
  345    HB   THR  49           HB       THR  49  -4.541 -10.347  -7.134
  346    HG1  THR  49           1HG      THR  49  -3.898 -10.305  -4.878
  347   1HG2  THR  49          1HG2      THR  49  -2.269  -8.351  -7.309
  348   2HG2  THR  49          2HG2      THR  49  -3.362  -8.813  -8.613
  349   3HG2  THR  49          3HG2      THR  49  -2.217  -9.987  -7.966
  350    H    ALA  50           H        ALA  50  -5.114  -7.571  -3.872
  351    HA   ALA  50           HA       ALA  50  -6.992  -9.715  -3.121
  352   1HB   ALA  50          1HB       ALA  50  -5.206  -8.822  -1.566
  353   2HB   ALA  50          2HB       ALA  50  -6.834  -8.818  -0.888
  354   3HB   ALA  50          3HB       ALA  50  -6.123  -7.318  -1.484
  355    H    ALA  51           H        ALA  51  -9.046  -8.966  -1.907
  356    HA   ALA  51           HA       ALA  51 -10.844  -7.701  -3.607
  357   1HB   ALA  51          1HB       ALA  51 -12.320  -7.471  -1.736
  358   2HB   ALA  51          2HB       ALA  51 -10.974  -7.395  -0.599
  359   3HB   ALA  51          3HB       ALA  51 -11.352  -8.910  -1.418
  360    H    ILE  52           H        ILE  52 -11.949  -5.507  -3.189
  361    HA   ILE  52           HA       ILE  52  -9.952  -3.442  -2.389
  362    HB   ILE  52           HB       ILE  52 -11.771  -3.144  -4.783
  363   1HG1  ILE  52          2HG1      ILE  52  -9.521  -3.491  -6.041
  364   2HG1  ILE  52          1HG1      ILE  52  -8.980  -4.282  -4.563
  365   1HG2  ILE  52          1HG2      ILE  52 -10.192  -1.335  -5.342
  366   2HG2  ILE  52          2HG2      ILE  52  -9.261  -1.696  -3.889
  367   3HG2  ILE  52          3HG2      ILE  52 -10.907  -1.076  -3.750
  368   1HD1  ILE  52          1HD1      ILE  52 -11.574  -5.318  -5.215
  369   2HD1  ILE  52          2HD1      ILE  52 -10.031  -6.169  -5.187
  370   3HD1  ILE  52          3HD1      ILE  52 -10.572  -5.377  -6.665
  371    HA   PRO  53           HA       PRO  53 -13.486  -2.139   0.052
  372   1HB   PRO  53          2HB       PRO  53 -12.491   0.560   0.187
  373   2HB   PRO  53          1HB       PRO  53 -12.435  -0.690   1.433
  374   1HG   PRO  53          2HG       PRO  53 -10.267   0.325  -0.164
  375   2HG   PRO  53          1HG       PRO  53 -10.205  -0.882   1.123
  376   1HD   PRO  53          2HD       PRO  53  -9.876  -1.320  -1.689
  377   2HD   PRO  53          1HD       PRO  53  -9.921  -2.549  -0.399
  378    H    THR  54           H        THR  54 -15.435  -1.727  -0.903
  379    HA   THR  54           HA       THR  54 -15.557   0.371  -3.040
  380    HB   THR  54           HB       THR  54 -17.288  -0.857  -4.088
  381    HG1  THR  54           1HG      THR  54 -18.665  -1.526  -2.627
  382   1HG2  THR  54          1HG2      THR  54 -16.290  -2.954  -4.558
  383   2HG2  THR  54          2HG2      THR  54 -15.593  -3.075  -2.943
  384   3HG2  THR  54          3HG2      THR  54 -14.944  -1.912  -4.098
  385    H    GLY  55           H        GLY  55 -18.125   1.026  -3.153
  386   1HA   GLY  55          2HA       GLY  55 -19.753   2.344  -2.094
  387   2HA   GLY  55          1HA       GLY  55 -19.633   1.190  -0.765
  388    H    TYR  56           H        TYR  56 -16.601   2.464  -1.336
  389    HA   TYR  56           HA       TYR  56 -16.785   4.135   1.080
  390   1HB   TYR  56          2HB       TYR  56 -14.764   3.047   1.201
  391   2HB   TYR  56          1HB       TYR  56 -14.617   2.914  -0.549
  392    HD1  TYR  56           1HD      TYR  56 -12.793   4.066  -1.427
  393    HD2  TYR  56           2HD      TYR  56 -14.895   5.726   1.932
  394    HE1  TYR  56           1HE      TYR  56 -11.279   6.030  -1.450
  395    HE2  TYR  56           2HE      TYR  56 -13.379   7.689   1.909
  396    HH   TYR  56           HH       TYR  56 -11.701   8.684  -0.465
  397    H    ASP  57           H        ASP  57 -17.651   6.134   0.713
  398    HA   ASP  57           HA       ASP  57 -16.358   7.822  -1.372
  399   1HB   ASP  57          2HB       ASP  57 -18.493   6.950  -2.318
  400   2HB   ASP  57          1HB       ASP  57 -19.358   7.651  -0.949
  401    H    THR  58           H        THR  58 -15.374   9.260   0.003
  402    HA   THR  58           HA       THR  58 -17.140  10.697   1.945
  403    HB   THR  58           HB       THR  58 -15.357  10.737   3.574
  404    HG1  THR  58           1HG      THR  58 -13.903   9.906   1.378
  405   1HG2  THR  58          1HG2      THR  58 -15.704   7.969   2.392
  406   2HG2  THR  58          2HG2      THR  58 -16.737   8.723   3.607
  407   3HG2  THR  58          3HG2      THR  58 -15.070   8.301   4.003
  408    H    ASN  59           H        ASN  59 -13.891  11.614   2.071
  409    HA   ASN  59           HA       ASN  59 -14.503  14.036   0.446
  410   1HB   ASN  59          2HB       ASN  59 -13.642  14.094   2.901
  411   2HB   ASN  59          1HB       ASN  59 -12.077  13.675   2.203
  412   1HD2  ASN  59          1HD2      ASN  59 -13.497  16.316   3.335
  413   2HD2  ASN  59          2HD2      ASN  59 -12.990  17.485   2.214
  414    H    LYS  60           H        LYS  60 -11.610  12.005   1.077
  415    HA   LYS  60           HA       LYS  60 -11.172  11.429  -1.703
  416   1HB   LYS  60          2HB       LYS  60  -9.048  12.867  -1.879
  417   2HB   LYS  60          1HB       LYS  60 -10.590  13.710  -2.030
  418   1HG   LYS  60          2HG       LYS  60 -10.491  14.425   0.287
  419   2HG   LYS  60          1HG       LYS  60  -9.040  13.459   0.562
  420   1HD   LYS  60          2HD       LYS  60  -7.820  14.822  -1.101
  421   2HD   LYS  60          1HD       LYS  60  -9.266  15.801  -1.354
  422   1HE   LYS  60          2HE       LYS  60  -7.897  15.467   1.329
  423   2HE   LYS  60          1HE       LYS  60  -7.627  16.833   0.246
  424   1HZ   LYS  60          1HZ       LYS  60  -9.311  17.302   1.939
  425   2HZ   LYS  60          2HZ       LYS  60 -10.265  16.025   1.348
  426   3HZ   LYS  60          3HZ       LYS  60  -9.954  17.381   0.371
  427    H    CYS  61           H        CYS  61 -10.972  10.333   1.135
  428    HA   CYS  61           HA       CYS  61  -8.317   9.805   1.898
  429   1HB   CYS  61          2HB       CYS  61 -10.114   7.455   2.041
  430   2HB   CYS  61          1HB       CYS  61  -9.237   8.279   3.329
  431    H    GLN  62           H        GLN  62  -7.338   7.454   1.631
  432    HA   GLN  62           HA       GLN  62  -7.559   6.648  -1.247
  433   1HB   GLN  62          2HB       GLN  62  -5.513   7.938  -1.023
  434   2HB   GLN  62          1HB       GLN  62  -5.037   7.010   0.401
  435   1HG   GLN  62          2HG       GLN  62  -4.684   5.034  -0.874
  436   2HG   GLN  62          1HG       GLN  62  -5.536   5.690  -2.272
  437   1HE2  GLN  62          1HE2      GLN  62  -3.699   8.181  -0.952
  438   2HE2  GLN  62          2HE2      GLN  62  -2.320   8.036  -1.932
  439    H    LYS  63           H        LYS  63  -6.810   4.397  -1.616
  440    HA   LYS  63           HA       LYS  63  -7.341   2.694   0.788
  441   1HB   LYS  63          2HB       LYS  63  -7.852   0.924  -0.972
  442   2HB   LYS  63          1HB       LYS  63  -8.987   2.273  -0.905
  443   1HG   LYS  63          2HG       LYS  63  -7.850   3.362  -2.780
  444   2HG   LYS  63          1HG       LYS  63  -6.648   2.072  -2.824
  445   1HD   LYS  63          2HD       LYS  63  -8.438   0.431  -3.309
  446   2HD   LYS  63          1HD       LYS  63  -9.624   1.736  -3.304
  447   1HE   LYS  63          2HE       LYS  63  -7.250   1.506  -5.178
  448   2HE   LYS  63          1HE       LYS  63  -8.936   1.212  -5.606
  449   1HZ   LYS  63          1HZ       LYS  63  -8.871   3.367  -6.177
  450   2HZ   LYS  63          2HZ       LYS  63  -7.539   3.717  -5.183
  451   3HZ   LYS  63          3HZ       LYS  63  -9.101   3.637  -4.518
  452    H    ILE  64           H        ILE  64  -5.811   1.176   1.373
  453    HA   ILE  64           HA       ILE  64  -3.477   0.770  -0.438
  454    HB   ILE  64           HB       ILE  64  -3.118   2.535   1.438
  455   1HG1  ILE  64          2HG1      ILE  64  -1.282   0.130   1.199
  456   2HG1  ILE  64          1HG1      ILE  64  -1.299   1.521   0.114
  457   1HG2  ILE  64          1HG2      ILE  64  -2.695   0.066   3.123
  458   2HG2  ILE  64          2HG2      ILE  64  -4.224   0.944   3.144
  459   3HG2  ILE  64          3HG2      ILE  64  -2.738   1.753   3.639
  460   1HD1  ILE  64          1HD1      ILE  64  -0.584   1.501   3.057
  461   2HD1  ILE  64          2HD1      ILE  64  -0.830   2.980   2.127
  462   3HD1  ILE  64          3HD1      ILE  64   0.479   1.877   1.701
  463    H    LEU  65           H        LEU  65  -2.204  -1.177   0.203
  464    HA   LEU  65           HA       LEU  65  -3.960  -3.206   1.528
  465   1HB   LEU  65          2HB       LEU  65  -3.197  -3.329  -1.032
  466   2HB   LEU  65          1HB       LEU  65  -1.744  -4.020  -0.315
  467    HG   LEU  65           HG       LEU  65  -4.520  -5.018   0.367
  468   1HD1  LEU  65          1HD1      LEU  65  -4.383  -5.450  -1.951
  469   2HD1  LEU  65          2HD1      LEU  65  -3.813  -6.943  -1.206
  470   3HD1  LEU  65          3HD1      LEU  65  -2.656  -5.793  -1.875
  471   1HD2  LEU  65          1HD2      LEU  65  -2.841  -5.656   1.981
  472   2HD2  LEU  65          2HD2      LEU  65  -1.707  -6.099   0.707
  473   3HD2  LEU  65          3HD2      LEU  65  -3.156  -7.066   0.972
  474    H    ASN  66           H        ASN  66  -3.202  -3.614   3.540
  475    HA   ASN  66           HA       ASN  66  -0.405  -3.125   4.236
  476   1HB   ASN  66          2HB       ASN  66  -2.837  -4.100   5.723
  477   2HB   ASN  66          1HB       ASN  66  -1.238  -4.236   6.453
  478   1HD2  ASN  66          1HD2      ASN  66  -1.748  -2.592   8.077
  479   2HD2  ASN  66          2HD2      ASN  66  -1.866  -0.951   7.661
  480    H    LYS  67           H        LYS  67   1.197  -4.652   4.388
  481    HA   LYS  67           HA       LYS  67   0.537  -7.377   3.430
  482   1HB   LYS  67          2HB       LYS  67   2.418  -6.282   2.348
  483   2HB   LYS  67          1HB       LYS  67   3.174  -5.947   3.904
  484   1HG   LYS  67          2HG       LYS  67   2.536  -8.804   3.400
  485   2HG   LYS  67          1HG       LYS  67   3.779  -8.118   2.359
  486   1HD   LYS  67          2HD       LYS  67   3.913  -7.621   5.323
  487   2HD   LYS  67          1HD       LYS  67   4.458  -9.168   4.677
  488   1HE   LYS  67          2HE       LYS  67   5.413  -6.544   3.528
  489   2HE   LYS  67          1HE       LYS  67   6.229  -7.316   4.886
  490   1HZ   LYS  67          1HZ       LYS  67   6.461  -9.321   3.524
  491   2HZ   LYS  67          2HZ       LYS  67   7.246  -7.986   2.828
  492   3HZ   LYS  67          3HZ       LYS  67   5.753  -8.513   2.212
  493    H    LYS  68           H        LYS  68   0.844  -5.792   6.377
  494    HA   LYS  68           HA       LYS  68   2.302  -7.605   7.982
  495   1HB   LYS  68          2HB       LYS  68  -0.109  -5.881   8.602
  496   2HB   LYS  68          1HB       LYS  68   0.738  -6.815   9.835
  497   1HG   LYS  68          2HG       LYS  68   2.756  -5.595   9.527
  498   2HG   LYS  68          1HG       LYS  68   2.188  -4.890   8.012
  499   1HD   LYS  68          2HD       LYS  68   0.565  -3.534   9.157
  500   2HD   LYS  68          1HD       LYS  68   0.850  -4.379  10.679
  501   1HE   LYS  68          2HE       LYS  68   1.998  -2.061  10.287
  502   2HE   LYS  68          1HE       LYS  68   2.940  -3.372  10.998
  503   1HZ   LYS  68          1HZ       LYS  68   3.901  -3.862   8.895
  504   2HZ   LYS  68          2HZ       LYS  68   4.062  -2.189   9.146
  505   3HZ   LYS  68          3HZ       LYS  68   2.867  -2.782   8.092
  506    H    THR  69           H        THR  69  -1.194  -7.556   7.266
  507    HA   THR  69           HA       THR  69  -1.233 -10.507   7.766
  508    HB   THR  69           HB       THR  69  -3.548 -10.171   8.714
  509    HG1  THR  69           1HG      THR  69  -2.689  -7.484   8.516
  510   1HG2  THR  69          1HG2      THR  69  -1.130  -8.951  10.054
  511   2HG2  THR  69          2HG2      THR  69  -1.805 -10.565  10.287
  512   3HG2  THR  69          3HG2      THR  69  -2.670  -9.151  10.893
  513    H    CYS  70           H        CYS  70  -1.093  -8.804   5.285
  514    HA   CYS  70           HA       CYS  70  -2.136  -8.684   3.177
  515   1HB   CYS  70          2HB       CYS  70  -3.061 -11.357   4.251
  516   2HB   CYS  70          1HB       CYS  70  -3.464 -10.810   2.624
  517    H    THR  71           H        THR  71  -3.449  -6.837   4.042
  518    HA   THR  71           HA       THR  71  -6.329  -7.477   3.785
  519    HB   THR  71           HB       THR  71  -6.573  -7.500   6.053
  520    HG1  THR  71           1HG      THR  71  -7.517  -5.641   6.173
  521   1HG2  THR  71          1HG2      THR  71  -3.918  -6.057   6.125
  522   2HG2  THR  71          2HG2      THR  71  -4.247  -7.733   6.557
  523   3HG2  THR  71          3HG2      THR  71  -4.846  -6.426   7.579
  524    H    TYR  72           H        TYR  72  -7.624  -5.341   3.815
  525    HA   TYR  72           HA       TYR  72  -6.031  -3.264   2.367
  526   1HB   TYR  72          2HB       TYR  72  -8.566  -4.556   1.822
  527   2HB   TYR  72          1HB       TYR  72  -8.799  -2.814   1.961
  528    HD1  TYR  72           1HD      TYR  72  -7.200  -1.284   0.636
  529    HD2  TYR  72           2HD      TYR  72  -7.636  -5.486  -0.136
  530    HE1  TYR  72           1HE      TYR  72  -6.225  -0.970  -1.621
  531    HE2  TYR  72           2HE      TYR  72  -6.662  -5.172  -2.395
  532    HH   TYR  72           HH       TYR  72  -5.911  -3.707  -3.884
  533    H    THR  73           H        THR  73  -6.181  -1.114   3.042
  534    HA   THR  73           HA       THR  73  -8.031  -0.478   5.283
  535    HB   THR  73           HB       THR  73  -6.408  -0.122   6.836
  536    HG1  THR  73           1HG      THR  73  -5.044   1.410   6.449
  537   1HG2  THR  73          1HG2      THR  73  -5.724  -2.325   5.921
  538   2HG2  THR  73          2HG2      THR  73  -4.348  -1.414   6.541
  539   3HG2  THR  73          3HG2      THR  73  -4.632  -1.504   4.803
  540    H    VAL  74           H        VAL  74  -8.591   1.734   5.356
  541    HA   VAL  74           HA       VAL  74  -7.658   3.339   3.004
  542    HB   VAL  74           HB       VAL  74 -10.196   3.842   4.557
  543   1HG1  VAL  74          1HG1      VAL  74 -10.857   5.032   2.603
  544   2HG1  VAL  74          2HG1      VAL  74  -9.576   4.303   1.633
  545   3HG1  VAL  74          3HG1      VAL  74  -9.175   5.490   2.875
  546   1HG2  VAL  74          1HG2      VAL  74 -10.324   1.512   3.856
  547   2HG2  VAL  74          2HG2      VAL  74  -9.763   1.933   2.238
  548   3HG2  VAL  74          3HG2      VAL  74 -11.346   2.478   2.791
  549    H    VAL  75           H        VAL  75  -6.323   4.979   3.558
  550    HA   VAL  75           HA       VAL  75  -6.527   6.111   6.323
  551    HB   VAL  75           HB       VAL  75  -4.182   6.962   5.814
  552   1HG1  VAL  75          1HG1      VAL  75  -4.772   3.990   5.836
  553   2HG1  VAL  75          2HG1      VAL  75  -4.454   5.026   7.227
  554   3HG1  VAL  75          3HG1      VAL  75  -3.161   4.663   6.084
  555   1HG2  VAL  75          1HG2      VAL  75  -4.437   6.732   3.326
  556   2HG2  VAL  75          2HG2      VAL  75  -4.409   4.980   3.528
  557   3HG2  VAL  75          3HG2      VAL  75  -2.993   5.940   3.955
  558    H    GLU  76           H        GLU  76  -5.920   8.512   6.395
  559    HA   GLU  76           HA       GLU  76  -7.235   9.903   4.092
  560   1HB   GLU  76          2HB       GLU  76  -7.116  10.457   7.047
  561   2HB   GLU  76          1HB       GLU  76  -7.409  11.780   5.918
  562   1HG   GLU  76          2HG       GLU  76  -9.334  10.576   4.981
  563   2HG   GLU  76          1HG       GLU  76  -9.033   9.222   6.070
  564    H    LYS  77           H        LYS  77  -6.146  11.554   3.068
  565    HA   LYS  77           HA       LYS  77  -3.295  11.648   3.226
  566   1HB   LYS  77          2HB       LYS  77  -5.222  13.684   2.065
  567   2HB   LYS  77          1HB       LYS  77  -3.492  13.616   1.738
  568   1HG   LYS  77          2HG       LYS  77  -5.226  11.197   1.258
  569   2HG   LYS  77          1HG       LYS  77  -5.135  12.479   0.052
  570   1HD   LYS  77          2HD       LYS  77  -2.607  12.251   0.150
  571   2HD   LYS  77          1HD       LYS  77  -2.853  10.801   1.126
  572   1HE   LYS  77          2HE       LYS  77  -2.626  10.079  -1.156
  573   2HE   LYS  77          1HE       LYS  77  -4.331   9.923  -0.734
  574   1HZ   LYS  77          1HZ       LYS  77  -4.112  12.478  -1.639
  575   2HZ   LYS  77          2HZ       LYS  77  -4.713  11.158  -2.525
  576   3HZ   LYS  77          3HZ       LYS  77  -3.084  11.616  -2.678
  577    H    LYS  78           H        LYS  78  -5.624  13.006   5.282
  578    HA   LYS  78           HA       LYS  78  -3.682  15.088   6.223
  579   1HB   LYS  78          2HB       LYS  78  -6.097  15.706   5.437
  580   2HB   LYS  78          1HB       LYS  78  -6.597  15.030   6.988
  581   1HG   LYS  78          2HG       LYS  78  -4.884  16.556   8.081
  582   2HG   LYS  78          1HG       LYS  78  -4.699  17.340   6.512
  583   1HD   LYS  78          2HD       LYS  78  -7.092  17.889   6.481
  584   2HD   LYS  78          1HD       LYS  78  -7.312  17.065   8.026
  585   1HE   LYS  78          2HE       LYS  78  -7.034  19.620   8.111
  586   2HE   LYS  78          1HE       LYS  78  -6.010  18.675   9.192
  587   1HZ   LYS  78          1HZ       LYS  78  -5.000  20.522   7.675
  588   2HZ   LYS  78          2HZ       LYS  78  -5.023  19.294   6.501
  589   3HZ   LYS  78          3HZ       LYS  78  -4.157  19.076   7.947
  590    H    ASP  79           H        ASP  79  -4.711  12.023   6.922
  591    HA   ASP  79           HA       ASP  79  -3.769  12.264   9.705
  592   1HB   ASP  79          2HB       ASP  79  -6.308  12.652   9.658
  593   2HB   ASP  79          1HB       ASP  79  -6.444  10.956   9.191
  594    HA   PRO  80           HA       PRO  80  -2.577   8.398   7.375
  595   1HB   PRO  80          2HB       PRO  80   0.031   8.674   8.567
  596   2HB   PRO  80          1HB       PRO  80  -0.419   8.848   6.869
  597   1HG   PRO  80          2HG       PRO  80   0.376  10.911   8.662
  598   2HG   PRO  80          1HG       PRO  80  -0.191  11.096   7.000
  599   1HD   PRO  80          2HD       PRO  80  -1.586  11.744   9.476
  600   2HD   PRO  80          1HD       PRO  80  -2.081  12.094   7.801
  601    H    GLY  81           H        GLY  81  -3.786   8.828  10.135
  602   1HA   GLY  81          2HA       GLY  81  -2.669   6.348  11.374
  603   2HA   GLY  81          1HA       GLY  81  -2.961   7.776  12.370
  604    H    LYS  82           H        LYS  82  -5.387   8.564  10.950
  605    HA   LYS  82           HA       LYS  82  -7.233   6.621  12.222
  606   1HB   LYS  82          2HB       LYS  82  -7.643   9.397  11.075
  607   2HB   LYS  82          1HB       LYS  82  -8.951   8.406  11.720
  608   1HG   LYS  82          2HG       LYS  82  -6.513   8.836  13.416
  609   2HG   LYS  82          1HG       LYS  82  -7.678  10.150  13.272
  610   1HD   LYS  82          2HD       LYS  82  -8.693   7.388  13.873
  611   2HD   LYS  82          1HD       LYS  82  -7.948   8.319  15.172
  612   1HE   LYS  82          2HE       LYS  82 -10.209   9.340  13.427
  613   2HE   LYS  82          1HE       LYS  82 -10.428   8.642  15.032
  614   1HZ   LYS  82          1HZ       LYS  82 -10.024  10.643  15.855
  615   2HZ   LYS  82          2HZ       LYS  82  -9.634  11.264  14.323
  616   3HZ   LYS  82          3HZ       LYS  82  -8.433  10.535  15.278
  617    H    THR  83           H        THR  83  -8.810   5.492  11.036
  618    HA   THR  83           HA       THR  83  -8.260   5.266   8.144
  619    HB   THR  83           HB       THR  83  -9.839   3.343   8.264
  620    HG1  THR  83           1HG      THR  83 -11.213   3.575   9.841
  621   1HG2  THR  83          1HG2      THR  83  -8.374   1.904   9.490
  622   2HG2  THR  83          2HG2      THR  83  -7.833   3.228  10.523
  623   3HG2  THR  83          3HG2      THR  83  -7.361   3.185   8.824
  624    H    CYS  84           H        CYS  84  -9.835   5.678   6.531
  625    HA   CYS  84           HA       CYS  84 -11.770   7.747   7.222
  626   1HB   CYS  84          2HB       CYS  84 -10.462   6.829   4.852
  627   2HB   CYS  84          1HB       CYS  84 -12.199   6.734   4.566
  628    H    ASP  85           H        ASP  85 -14.001   7.242   5.748
  629    HA   ASP  85           HA       ASP  85 -15.317   5.172   7.345
  630   1HB   ASP  85          2HB       ASP  85 -16.356   7.404   6.691
  631   2HB   ASP  85          1HB       ASP  85 -16.507   6.756   5.058
  632    H    VAL  86           H        VAL  86 -16.140   3.216   6.566
  633    HA   VAL  86           HA       VAL  86 -15.495   2.517   3.728
  634    HB   VAL  86           HB       VAL  86 -15.226   0.594   6.043
  635   1HG1  VAL  86          1HG1      VAL  86 -14.255   0.611   3.171
  636   2HG1  VAL  86          2HG1      VAL  86 -15.488  -0.444   3.859
  637   3HG1  VAL  86          3HG1      VAL  86 -13.807  -0.609   4.363
  638   1HG2  VAL  86          1HG2      VAL  86 -12.731   0.988   5.710
  639   2HG2  VAL  86          2HG2      VAL  86 -13.605   2.306   6.491
  640   3HG2  VAL  86          3HG2      VAL  86 -13.168   2.426   4.787
  641    H    THR  87           H        THR  87 -16.828   0.674   2.933
  642    HA   THR  87           HA       THR  87 -19.449   0.487   4.373
  643    HB   THR  87           HB       THR  87 -19.126   0.339   1.372
  644    HG1  THR  87           1HG      THR  87 -18.886   2.474   2.982
  645   1HG2  THR  87          1HG2      THR  87 -21.191  -0.584   2.332
  646   2HG2  THR  87          2HG2      THR  87 -21.534   0.898   1.438
  647   3HG2  THR  87          3HG2      THR  87 -21.472   0.926   3.202
  648    H    GLY  88           H        GLY  88 -17.096  -1.135   2.284
  649   1HA   GLY  88          2HA       GLY  88 -17.266  -3.650   3.491
  650   2HA   GLY  88          1HA       GLY  88 -18.501  -3.663   2.230
  651    H    TRP  89           H        TRP  89 -16.337  -5.405   2.061
  652    HA   TRP  89           HA       TRP  89 -14.594  -4.177  -0.042
  653   1HB   TRP  89          2HB       TRP  89 -14.122  -6.768   1.454
  654   2HB   TRP  89          1HB       TRP  89 -12.970  -5.879   0.457
  655    HD1  TRP  89           HD       TRP  89 -11.696  -3.891   1.532
  656    HE1  TRP  89           1HE      TRP  89 -11.591  -2.916   3.917
  657    HE3  TRP  89           3HE      TRP  89 -15.626  -6.355   3.666
  658    HZ2  TRP  89           2HZ      TRP  89 -12.989  -3.151   6.401
  659    HZ3  TRP  89           3HZ      TRP  89 -16.218  -5.961   6.040
  660    HH2  TRP  89           HH       TRP  89 -14.905  -4.364   7.409
  661    H    VAL  90           H        VAL  90 -14.311  -5.340  -2.019
  662    HA   VAL  90           HA       VAL  90 -16.115  -7.668  -2.466
  663    HB   VAL  90           HB       VAL  90 -15.994  -5.250  -4.288
  664   1HG1  VAL  90          1HG1      VAL  90 -17.938  -6.429  -5.372
  665   2HG1  VAL  90          2HG1      VAL  90 -17.601  -7.819  -4.341
  666   3HG1  VAL  90          3HG1      VAL  90 -16.406  -7.290  -5.526
  667   1HG2  VAL  90          1HG2      VAL  90 -17.225  -4.647  -2.300
  668   2HG2  VAL  90          2HG2      VAL  90 -18.082  -6.189  -2.302
  669   3HG2  VAL  90          3HG2      VAL  90 -18.408  -4.999  -3.560
  670    H    LEU  91           H        LEU  91 -15.370  -9.071  -4.115
  671    HA   LEU  91           HA       LEU  91 -12.523  -9.033  -4.588
  672   1HB   LEU  91          2HB       LEU  91 -14.761 -10.697  -5.771
  673   2HB   LEU  91          1HB       LEU  91 -13.056 -10.969  -6.130
  674    HG   LEU  91           HG       LEU  91 -13.894 -10.799  -3.253
  675   1HD1  LEU  91          1HD1      LEU  91 -14.293 -13.297  -3.330
  676   2HD1  LEU  91          2HD1      LEU  91 -14.357 -13.164  -5.088
  677   3HD1  LEU  91          3HD1      LEU  91 -15.552 -12.327  -4.096
  678   1HD2  LEU  91          1HD2      LEU  91 -11.501 -11.011  -3.973
  679   2HD2  LEU  91          2HD2      LEU  91 -11.902 -12.553  -4.727
  680   3HD2  LEU  91          3HD2      LEU  91 -12.041 -12.364  -2.980
  Start of MODEL   17
    1   1H    GLN   1          1HT       GLN   1  -4.222  -5.505 -12.736
    2   2H    GLN   1          2HT       GLN   1  -2.920  -6.134 -11.843
    3   3H    GLN   1          3HT       GLN   1  -3.414  -6.894 -13.281
    4    HA   GLN   1           HA       GLN   1  -1.680  -5.755 -14.135
    5   1HB   GLN   1          2HB       GLN   1  -4.080  -4.719 -14.788
    6   2HB   GLN   1          1HB       GLN   1  -3.355  -3.282 -14.066
    7   1HG   GLN   1          2HG       GLN   1  -2.233  -4.930 -16.352
    8   2HG   GLN   1          1HG       GLN   1  -2.851  -3.280 -16.440
    9   1HE2  GLN   1          1HE2      GLN   1  -1.409  -1.580 -15.916
   10   2HE2  GLN   1          2HE2      GLN   1   0.176  -1.827 -15.360
   11    H    CYS   2           H        CYS   2   0.180  -4.953 -13.291
   12    HA   CYS   2           HA       CYS   2   0.143  -3.516 -10.749
   13   1HB   CYS   2          2HB       CYS   2   1.919  -5.206 -11.593
   14   2HB   CYS   2          1HB       CYS   2   2.564  -3.851 -12.519
   15    H    TYR   3           H        TYR   3   1.588  -1.461 -10.610
   16    HA   TYR   3           HA       TYR   3   1.442   0.239 -13.026
   17   1HB   TYR   3          2HB       TYR   3   0.330   2.049 -11.518
   18   2HB   TYR   3          1HB       TYR   3  -0.693   0.785 -12.199
   19    HD1  TYR   3           1HD      TYR   3   1.035   1.953  -9.142
   20    HD2  TYR   3           2HD      TYR   3  -1.687  -0.921 -10.808
   21    HE1  TYR   3           1HE      TYR   3   0.379   1.249  -6.856
   22    HE2  TYR   3           2HE      TYR   3  -2.344  -1.625  -8.523
   23    HH   TYR   3           HH       TYR   3  -0.667  -1.137  -5.898
   24    H    PHE   4           H        PHE   4   2.707   2.214 -12.776
   25    HA   PHE   4           HA       PHE   4   4.763   1.983 -10.608
   26   1HB   PHE   4          2HB       PHE   4   4.855   2.915 -13.465
   27   2HB   PHE   4          1HB       PHE   4   6.008   3.579 -12.309
   28    HD1  PHE   4           1HD      PHE   4   4.581   0.276 -13.382
   29    HD2  PHE   4           2HD      PHE   4   8.008   2.428 -11.940
   30    HE1  PHE   4           1HE      PHE   4   5.956  -1.780 -13.578
   31    HE2  PHE   4           2HE      PHE   4   9.382   0.373 -12.135
   32    HZ   PHE   4           HZ       PHE   4   8.355  -1.730 -12.954
   33    H    ILE   5           H        ILE   5   5.160   3.782  -9.318
   34    HA   ILE   5           HA       ILE   5   3.595   6.255  -9.913
   35    HB   ILE   5           HB       ILE   5   3.970   5.099  -7.146
   36   1HG1  ILE   5          2HG1      ILE   5   1.617   4.885  -9.051
   37   2HG1  ILE   5          1HG1      ILE   5   2.594   3.551  -8.436
   38   1HG2  ILE   5          1HG2      ILE   5   3.549   7.592  -7.499
   39   2HG2  ILE   5          2HG2      ILE   5   2.380   6.757  -6.476
   40   3HG2  ILE   5          3HG2      ILE   5   1.973   7.139  -8.149
   41   1HD1  ILE   5          1HD1      ILE   5   0.642   3.571  -7.072
   42   2HD1  ILE   5          2HD1      ILE   5   0.690   5.325  -6.899
   43   3HD1  ILE   5          3HD1      ILE   5   1.898   4.326  -6.091
   44    HA   PRO   6           HA       PRO   6   7.749   7.917  -9.423
   45   1HB   PRO   6          2HB       PRO   6   6.681  10.559  -9.007
   46   2HB   PRO   6          1HB       PRO   6   7.440   9.902 -10.460
   47   1HG   PRO   6          2HG       PRO   6   4.661  10.492 -10.028
   48   2HG   PRO   6          1HG       PRO   6   5.428   9.862 -11.490
   49   1HD   PRO   6          2HD       PRO   6   3.703   8.457  -9.669
   50   2HD   PRO   6          1HD       PRO   6   4.524   7.809 -11.111
   51    H    ASN   7           H        ASN   7   9.041   8.417  -7.630
   52    HA   ASN   7           HA       ASN   7   8.141   7.939  -5.021
   53   1HB   ASN   7          2HB       ASN   7  10.517   7.973  -5.550
   54   2HB   ASN   7          1HB       ASN   7  10.439   9.691  -5.942
   55   1HD2  ASN   7          1HD2      ASN   7   8.792   8.123  -3.181
   56   2HD2  ASN   7          2HD2      ASN   7   9.663   8.952  -1.984
   57    H    GLN   8           H        GLN   8   7.748   9.434  -3.228
   58    HA   GLN   8           HA       GLN   8   6.855  12.160  -4.079
   59   1HB   GLN   8          2HB       GLN   8   5.318  10.605  -2.010
   60   2HB   GLN   8          1HB       GLN   8   4.778  11.943  -3.024
   61   1HG   GLN   8          2HG       GLN   8   3.748  10.081  -4.025
   62   2HG   GLN   8          1HG       GLN   8   5.194  10.308  -5.010
   63   1HE2  GLN   8          1HE2      GLN   8   4.076   7.752  -4.972
   64   2HE2  GLN   8          2HE2      GLN   8   5.056   6.702  -4.067
   65    H    SER   9           H        SER   9   8.789  10.333  -2.073
   66    HA   SER   9           HA       SER   9   8.590  11.534   0.467
   67   1HB   SER   9          2HB       SER   9  11.197  10.826  -0.901
   68   2HB   SER   9          1HB       SER   9  10.870  10.851   0.829
   69    HG   SER   9           HG       SER   9  10.103   8.910   0.649
   70    H    LEU  10           H        LEU  10  10.129  13.197   1.386
   71    HA   LEU  10           HA       LEU  10  10.137  15.563  -0.370
   72   1HB   LEU  10          2HB       LEU  10  11.049  15.330   2.510
   73   2HB   LEU  10          1HB       LEU  10  10.660  16.814   1.638
   74    HG   LEU  10           HG       LEU  10   8.681  14.576   2.155
   75   1HD1  LEU  10          1HD1      LEU  10   9.473  15.757   4.232
   76   2HD1  LEU  10          2HD1      LEU  10   7.754  15.974   3.900
   77   3HD1  LEU  10          3HD1      LEU  10   8.893  17.268   3.530
   78   1HD2  LEU  10          1HD2      LEU  10   7.904  15.769   0.282
   79   2HD2  LEU  10          2HD2      LEU  10   8.544  17.303   0.873
   80   3HD2  LEU  10          3HD2      LEU  10   7.111  16.599   1.620
   81    H    LYS  11           H        LYS  11  12.589  14.407   1.939
   82    HA   LYS  11           HA       LYS  11  14.714  15.485   0.250
   83   1HB   LYS  11          2HB       LYS  11  14.677  13.990   2.876
   84   2HB   LYS  11          1HB       LYS  11  16.183  14.405   2.059
   85   1HG   LYS  11          2HG       LYS  11  15.520  16.791   2.065
   86   2HG   LYS  11          1HG       LYS  11  14.036  16.367   2.918
   87   1HD   LYS  11          2HD       LYS  11  15.343  15.488   4.801
   88   2HD   LYS  11          1HD       LYS  11  16.842  15.855   3.948
   89   1HE   LYS  11          2HE       LYS  11  16.149  17.592   5.656
   90   2HE   LYS  11          1HE       LYS  11  16.402  18.219   4.027
   91   1HZ   LYS  11          1HZ       LYS  11  14.327  18.992   5.132
   92   2HZ   LYS  11          2HZ       LYS  11  13.752  17.394   5.071
   93   3HZ   LYS  11          3HZ       LYS  11  14.080  18.238   3.633
   94    HA   PRO  12           HA       PRO  12  15.507  11.858  -2.179
   95   1HB   PRO  12          2HB       PRO  12  18.367  12.015  -1.878
   96   2HB   PRO  12          1HB       PRO  12  17.384  12.524  -3.253
   97   1HG   PRO  12          2HG       PRO  12  18.708  14.174  -1.282
   98   2HG   PRO  12          1HG       PRO  12  17.839  14.678  -2.734
   99   1HD   PRO  12          2HD       PRO  12  16.989  15.018  -0.038
  100   2HD   PRO  12          1HD       PRO  12  16.027  15.319  -1.508
  101    H    ASN  13           H        ASN  13  17.109   9.810  -2.039
  102    HA   ASN  13           HA       ASN  13  17.632   7.862  -0.846
  103   1HB   ASN  13          2HB       ASN  13  19.252   9.581   0.169
  104   2HB   ASN  13          1HB       ASN  13  18.124   9.675   1.522
  105   1HD2  ASN  13          1HD2      ASN  13  18.596   8.234   3.180
  106   2HD2  ASN  13          2HD2      ASN  13  19.405   6.755   2.991
  107    H    GLU  14           H        GLU  14  14.901   8.466  -0.946
  108    HA   GLU  14           HA       GLU  14  14.009   7.272   1.624
  109   1HB   GLU  14          2HB       GLU  14  13.012   9.845   0.407
  110   2HB   GLU  14          1HB       GLU  14  11.967   8.867   1.440
  111   1HG   GLU  14          2HG       GLU  14  13.660   8.947   3.229
  112   2HG   GLU  14          1HG       GLU  14  14.699   9.933   2.200
  113    H    CYS  15           H        CYS  15  11.624   6.592   1.382
  114    HA   CYS  15           HA       CYS  15  10.686   6.097  -1.343
  115   1HB   CYS  15          2HB       CYS  15  12.513   4.326  -0.747
  116   2HB   CYS  15          1HB       CYS  15  11.268   3.634   0.293
  117    H    GLN  16           H        GLN  16   9.192   7.468   0.215
  118    HA   GLN  16           HA       GLN  16   7.480   5.688   1.877
  119   1HB   GLN  16          2HB       GLN  16   6.613   7.691   2.869
  120   2HB   GLN  16          1HB       GLN  16   8.358   7.913   2.751
  121   1HG   GLN  16          2HG       GLN  16   7.621   9.933   1.871
  122   2HG   GLN  16          1HG       GLN  16   7.749   8.971   0.398
  123   1HE2  GLN  16          1HE2      GLN  16   5.364   9.966   2.902
  124   2HE2  GLN  16          2HE2      GLN  16   4.019   9.879   1.870
  125    H    ASP  17           H        ASP  17   5.185   5.653   1.538
  126    HA   ASP  17           HA       ASP  17   4.287   6.655  -1.138
  127   1HB   ASP  17          2HB       ASP  17   3.652   3.980   0.152
  128   2HB   ASP  17          1HB       ASP  17   2.890   4.594  -1.314
  129    H    LEU  18           H        LEU  18   2.535   7.960  -0.931
  130    HA   LEU  18           HA       LEU  18   0.674   9.013   0.033
  131   1HB   LEU  18          2HB       LEU  18   0.249   6.483   1.630
  132   2HB   LEU  18          1HB       LEU  18  -0.961   7.618   1.034
  133    HG   LEU  18           HG       LEU  18   0.715   5.704  -0.609
  134   1HD1  LEU  18          1HD1      LEU  18  -1.553   4.902  -1.301
  135   2HD1  LEU  18          2HD1      LEU  18  -2.263   6.011  -0.130
  136   3HD1  LEU  18          3HD1      LEU  18  -1.242   4.685   0.420
  137   1HD2  LEU  18          1HD2      LEU  18   0.621   7.708  -1.903
  138   2HD2  LEU  18          2HD2      LEU  18  -1.044   8.030  -1.420
  139   3HD2  LEU  18          3HD2      LEU  18  -0.687   6.698  -2.520
  140    H    LYS  19           H        LYS  19  -0.172   8.136   2.863
  141    HA   LYS  19           HA       LYS  19   2.009   9.604   4.303
  142   1HB   LYS  19          2HB       LYS  19  -0.900   9.940   4.233
  143   2HB   LYS  19          1HB       LYS  19  -0.292   9.776   5.880
  144   1HG   LYS  19          2HG       LYS  19   0.996  11.648   3.887
  145   2HG   LYS  19          1HG       LYS  19  -0.359  12.153   4.897
  146   1HD   LYS  19          2HD       LYS  19   0.889  12.134   6.830
  147   2HD   LYS  19          1HD       LYS  19   1.899  10.793   6.292
  148   1HE   LYS  19          2HE       LYS  19   2.081  13.535   5.037
  149   2HE   LYS  19          1HE       LYS  19   3.038  13.084   6.448
  150   1HZ   LYS  19          1HZ       LYS  19   3.694  11.065   5.054
  151   2HZ   LYS  19          2HZ       LYS  19   4.396  12.561   4.660
  152   3HZ   LYS  19          3HZ       LYS  19   3.117  11.946   3.725
  153    H    GLY  20           H        GLY  20   0.592   6.597   3.947
  154   1HA   GLY  20          2HA       GLY  20   0.783   5.816   6.782
  155   2HA   GLY  20          1HA       GLY  20   0.296   4.770   5.451
  156    H    VAL  21           H        VAL  21   2.386   4.818   3.728
  157    HA   VAL  21           HA       VAL  21   4.396   3.290   5.178
  158    HB   VAL  21           HB       VAL  21   4.445   4.207   2.296
  159   1HG1  VAL  21          1HG1      VAL  21   5.794   2.042   2.106
  160   2HG1  VAL  21          2HG1      VAL  21   5.886   2.063   3.866
  161   3HG1  VAL  21          3HG1      VAL  21   6.592   3.380   2.931
  162   1HG2  VAL  21          1HG2      VAL  21   3.376   2.071   1.772
  163   2HG2  VAL  21          2HG2      VAL  21   2.357   2.972   2.891
  164   3HG2  VAL  21          3HG2      VAL  21   3.348   1.639   3.480
  165    H    SER  22           H        SER  22   6.725   3.773   5.058
  166    HA   SER  22           HA       SER  22   7.825   6.252   4.247
  167   1HB   SER  22          2HB       SER  22   6.634   7.494   5.833
  168   2HB   SER  22          1HB       SER  22   6.660   6.190   7.016
  169    HG   SER  22           HG       SER  22   8.354   8.226   6.733
  170    H    HIS  23           H        HIS  23   9.604   4.924   3.729
  171    HA   HIS  23           HA       HIS  23  11.323   4.219   6.024
  172   1HB   HIS  23          2HB       HIS  23  10.199   2.226   4.057
  173   2HB   HIS  23          1HB       HIS  23  11.731   1.926   4.873
  174    HD1  HIS  23           1HD      HIS  23   8.380   1.034   5.260
  175    HD2  HIS  23           2HD      HIS  23  11.178   2.616   7.915
  176    HE1  HIS  23           1HE      HIS  23   7.541   0.497   7.588
  177    HA   PRO  24           HA       PRO  24  14.496   5.723   3.322
  178   1HB   PRO  24          2HB       PRO  24  16.367   3.624   3.949
  179   2HB   PRO  24          1HB       PRO  24  16.328   5.276   4.571
  180   1HG   PRO  24          2HG       PRO  24  15.597   2.825   5.925
  181   2HG   PRO  24          1HG       PRO  24  15.702   4.460   6.586
  182   1HD   PRO  24          2HD       PRO  24  13.326   2.970   6.115
  183   2HD   PRO  24          1HD       PRO  24  13.432   4.694   6.547
  184    H    LEU  25           H        LEU  25  16.066   4.848   1.533
  185    HA   LEU  25           HA       LEU  25  14.521   3.305  -0.329
  186   1HB   LEU  25          2HB       LEU  25  16.908   4.887  -0.379
  187   2HB   LEU  25          1HB       LEU  25  17.290   3.320  -1.091
  188    HG   LEU  25           HG       LEU  25  14.841   4.905  -1.901
  189   1HD1  LEU  25          1HD1      LEU  25  16.228   5.565  -3.901
  190   2HD1  LEU  25          2HD1      LEU  25  17.647   4.963  -3.045
  191   3HD1  LEU  25          3HD1      LEU  25  16.734   6.324  -2.393
  192   1HD2  LEU  25          1HD2      LEU  25  16.441   2.793  -3.377
  193   2HD2  LEU  25          2HD2      LEU  25  14.863   3.443  -3.824
  194   3HD2  LEU  25          3HD2      LEU  25  15.024   2.423  -2.394
  195    H    ASN  26           H        ASN  26  16.304   1.525  -1.495
  196    HA   ASN  26           HA       ASN  26  16.855  -0.752  -1.298
  197   1HB   ASN  26          2HB       ASN  26  18.782   0.536  -0.150
  198   2HB   ASN  26          1HB       ASN  26  18.051   0.013   1.368
  199   1HD2  ASN  26          1HD2      ASN  26  18.881  -1.934   2.122
  200   2HD2  ASN  26          2HD2      ASN  26  19.524  -3.167   1.147
  201    H    SER  27           H        SER  27  14.401  -0.979  -0.870
  202    HA   SER  27           HA       SER  27  14.079  -2.696   1.477
  203   1HB   SER  27          2HB       SER  27  13.662  -0.329   2.311
  204   2HB   SER  27          1HB       SER  27  12.272  -0.278   1.233
  205    HG   SER  27           HG       SER  27  12.036  -1.048   3.546
  206    H    VAL  28           H        VAL  28  13.491  -4.325   0.007
  207    HA   VAL  28           HA       VAL  28  11.061  -3.821  -1.658
  208    HB   VAL  28           HB       VAL  28  11.876  -6.028  -2.742
  209   1HG1  VAL  28          1HG1      VAL  28  12.102  -3.669  -3.680
  210   2HG1  VAL  28          2HG1      VAL  28  13.297  -4.827  -4.255
  211   3HG1  VAL  28          3HG1      VAL  28  13.732  -3.654  -3.013
  212   1HG2  VAL  28          1HG2      VAL  28  14.451  -5.167  -1.402
  213   2HG2  VAL  28          2HG2      VAL  28  14.208  -6.577  -2.435
  214   3HG2  VAL  28          3HG2      VAL  28  13.460  -6.514  -0.839
  215    H    TRP  29           H        TRP  29   9.231  -5.051  -1.244
  216    HA   TRP  29           HA       TRP  29   9.453  -7.449   0.474
  217   1HB   TRP  29          2HB       TRP  29   7.833  -6.635   2.107
  218   2HB   TRP  29          1HB       TRP  29   9.199  -5.521   2.042
  219    HD1  TRP  29           HD       TRP  29   5.519  -5.828   1.123
  220    HE1  TRP  29           1HE      TRP  29   4.609  -3.494   0.516
  221    HE3  TRP  29           3HE      TRP  29   9.875  -3.162   1.103
  222    HZ2  TRP  29           2HZ      TRP  29   5.598  -0.845   0.077
  223    HZ3  TRP  29           3HZ      TRP  29   9.862  -0.737   0.588
  224    HH2  TRP  29           HH       TRP  29   7.732   0.423   0.076
  225    H    LYS  30           H        LYS  30   7.977  -8.958  -0.151
  226    HA   LYS  30           HA       LYS  30   5.642  -8.050  -1.794
  227   1HB   LYS  30          2HB       LYS  30   6.983 -10.702  -2.278
  228   2HB   LYS  30          1HB       LYS  30   5.995  -9.739  -3.375
  229   1HG   LYS  30          2HG       LYS  30   8.061  -9.229  -4.256
  230   2HG   LYS  30          1HG       LYS  30   8.005  -7.988  -3.006
  231   1HD   LYS  30          2HD       LYS  30   9.092  -9.784  -1.474
  232   2HD   LYS  30          1HD       LYS  30   9.473 -10.623  -2.976
  233   1HE   LYS  30          2HE       LYS  30  10.350  -7.849  -2.143
  234   2HE   LYS  30          1HE       LYS  30  11.372  -9.250  -2.463
  235   1HZ   LYS  30          1HZ       LYS  30   9.588  -8.163  -4.546
  236   2HZ   LYS  30          2HZ       LYS  30  10.974  -9.127  -4.729
  237   3HZ   LYS  30          3HZ       LYS  30  11.123  -7.494  -4.284
  238    H    THR  31           H        THR  31   3.730  -8.760  -0.968
  239    HA   THR  31           HA       THR  31   3.700 -10.471   1.381
  240    HB   THR  31           HB       THR  31   1.331 -10.111   1.398
  241    HG1  THR  31           1HG      THR  31   1.347  -8.924  -1.126
  242   1HG2  THR  31          1HG2      THR  31   2.374  -7.603   0.088
  243   2HG2  THR  31          2HG2      THR  31   2.922  -8.094   1.691
  244   3HG2  THR  31          3HG2      THR  31   1.215  -7.752   1.409
  245    H    LYS  32           H        LYS  32   1.059 -11.651   0.149
  246    HA   LYS  32           HA       LYS  32   2.260 -13.706  -1.627
  247   1HB   LYS  32          2HB       LYS  32   2.490 -14.606   0.659
  248   2HB   LYS  32          1HB       LYS  32   0.766 -14.358   0.934
  249   1HG   LYS  32          2HG       LYS  32   0.175 -16.198  -0.277
  250   2HG   LYS  32          1HG       LYS  32   1.392 -15.896  -1.515
  251   1HD   LYS  32          2HD       LYS  32   2.041 -16.972   1.244
  252   2HD   LYS  32          1HD       LYS  32   1.778 -17.997  -0.165
  253   1HE   LYS  32          2HE       LYS  32   4.028 -17.764  -0.469
  254   2HE   LYS  32          1HE       LYS  32   3.603 -16.196  -1.151
  255   1HZ   LYS  32          1HZ       LYS  32   5.319 -16.393   0.785
  256   2HZ   LYS  32          2HZ       LYS  32   3.924 -16.430   1.754
  257   3HZ   LYS  32          3HZ       LYS  32   4.221 -15.102   0.737
  258    H    ASP  33           H        ASP  33   0.940 -13.263  -3.361
  259    HA   ASP  33           HA       ASP  33  -1.026 -13.146  -4.631
  260   1HB   ASP  33          2HB       ASP  33  -1.286 -15.414  -3.413
  261   2HB   ASP  33          1HB       ASP  33  -2.414 -14.565  -2.355
  262    H    CYS  34           H        CYS  34  -0.600 -11.560  -1.778
  263    HA   CYS  34           HA       CYS  34  -3.303 -10.340  -1.707
  264   1HB   CYS  34          2HB       CYS  34  -1.658 -11.001   0.333
  265   2HB   CYS  34          1HB       CYS  34  -1.130  -9.340   0.070
  266    H    GLU  35           H        GLU  35   0.015  -9.033  -1.576
  267    HA   GLU  35           HA       GLU  35  -0.495  -7.275  -3.854
  268   1HB   GLU  35          2HB       GLU  35  -1.622  -5.891  -2.295
  269   2HB   GLU  35          1HB       GLU  35  -0.443  -6.216  -1.025
  270   1HG   GLU  35          2HG       GLU  35   1.224  -4.885  -2.105
  271   2HG   GLU  35          1HG       GLU  35   0.286  -4.797  -3.596
  272    H    GLU  36           H        GLU  36   1.474  -5.915  -4.301
  273    HA   GLU  36           HA       GLU  36   3.942  -6.927  -2.968
  274   1HB   GLU  36          2HB       GLU  36   3.527  -6.778  -5.972
  275   2HB   GLU  36          1HB       GLU  36   5.020  -7.242  -5.157
  276   1HG   GLU  36          2HG       GLU  36   3.824  -9.145  -4.095
  277   2HG   GLU  36          1HG       GLU  36   2.368  -8.703  -4.988
  278    H    CYS  37           H        CYS  37   5.746  -5.439  -3.185
  279    HA   CYS  37           HA       CYS  37   5.349  -2.904  -4.570
  280   1HB   CYS  37          2HB       CYS  37   5.029  -3.136  -1.597
  281   2HB   CYS  37          1HB       CYS  37   5.744  -1.674  -2.275
  282    H    THR  38           H        THR  38   7.317  -2.321  -5.283
  283    HA   THR  38           HA       THR  38   9.717  -3.074  -3.656
  284    HB   THR  38           HB       THR  38  10.902  -3.626  -5.655
  285    HG1  THR  38           1HG      THR  38   8.883  -2.127  -6.794
  286   1HG2  THR  38          1HG2      THR  38   8.077  -4.677  -5.958
  287   2HG2  THR  38          2HG2      THR  38   9.304  -5.356  -4.888
  288   3HG2  THR  38          3HG2      THR  38   9.531  -5.409  -6.636
  289    H    CYS  39           H        CYS  39  11.544  -1.580  -3.948
  290    HA   CYS  39           HA       CYS  39  10.617   1.169  -4.691
  291   1HB   CYS  39          2HB       CYS  39  11.370   0.679  -2.294
  292   2HB   CYS  39          1HB       CYS  39  12.994   0.482  -2.952
  293    H    GLY  40           H        GLY  40  11.305   1.589  -6.747
  294   1HA   GLY  40          2HA       GLY  40  13.799   0.419  -7.765
  295   2HA   GLY  40          1HA       GLY  40  12.692   1.453  -8.671
  296    H    GLN  41           H        GLN  41  14.930   2.390  -9.271
  297    HA   GLN  41           HA       GLN  41  16.554   3.817  -7.477
  298   1HB   GLN  41          2HB       GLN  41  15.816   4.337 -10.361
  299   2HB   GLN  41          1HB       GLN  41  16.964   5.360  -9.496
  300   1HG   GLN  41          2HG       GLN  41  17.252   2.352  -9.619
  301   2HG   GLN  41          1HG       GLN  41  17.976   3.422 -10.820
  302   1HE2  GLN  41          1HE2      GLN  41  18.820   1.779  -8.108
  303   2HE2  GLN  41          2HE2      GLN  41  19.994   2.828  -7.471
  304    H    ASP  42           H        ASP  42  14.572   5.750  -9.659
  305    HA   ASP  42           HA       ASP  42  13.776   7.430  -7.315
  306   1HB   ASP  42          2HB       ASP  42  13.355   9.178  -9.120
  307   2HB   ASP  42          1HB       ASP  42  15.043   8.722  -8.884
  308    H    ALA  43           H        ALA  43  12.349   4.988  -8.125
  309    HA   ALA  43           HA       ALA  43   9.680   6.213  -8.437
  310   1HB   ALA  43          1HB       ALA  43  10.726   4.109 -10.358
  311   2HB   ALA  43          2HB       ALA  43  10.349   5.784 -10.764
  312   3HB   ALA  43          3HB       ALA  43   9.059   4.680 -10.285
  313    H    ILE  44           H        ILE  44   7.987   4.317  -8.338
  314    HA   ILE  44           HA       ILE  44   8.983   2.080  -6.645
  315    HB   ILE  44           HB       ILE  44   6.548   3.714  -5.894
  316   1HG1  ILE  44          2HG1      ILE  44   9.398   3.897  -4.866
  317   2HG1  ILE  44          1HG1      ILE  44   8.492   5.169  -5.685
  318   1HG2  ILE  44          1HG2      ILE  44   6.843   1.282  -5.154
  319   2HG2  ILE  44          2HG2      ILE  44   6.611   2.461  -3.863
  320   3HG2  ILE  44          3HG2      ILE  44   8.226   1.841  -4.212
  321   1HD1  ILE  44          1HD1      ILE  44   6.779   4.962  -3.792
  322   2HD1  ILE  44          2HD1      ILE  44   8.331   5.681  -3.364
  323   3HD1  ILE  44          3HD1      ILE  44   7.992   4.003  -2.942
  324    H    SER  45           H        SER  45   8.038   0.185  -7.245
  325    HA   SER  45           HA       SER  45   5.666   0.337  -9.065
  326   1HB   SER  45          2HB       SER  45   7.582  -0.686 -10.144
  327   2HB   SER  45          1HB       SER  45   7.838  -1.758  -8.770
  328    HG   SER  45           HG       SER  45   5.488  -1.679 -10.367
  329    H    CYS  46           H        CYS  46   3.783  -0.358  -8.194
  330    HA   CYS  46           HA       CYS  46   3.898  -2.427  -6.034
  331   1HB   CYS  46          2HB       CYS  46   2.436   0.198  -6.100
  332   2HB   CYS  46          1HB       CYS  46   1.746  -1.159  -5.207
  333    H    CYS  47           H        CYS  47   2.489  -4.090  -6.292
  334    HA   CYS  47           HA       CYS  47   0.457  -3.854  -8.486
  335   1HB   CYS  47          2HB       CYS  47   1.731  -6.471  -7.714
  336   2HB   CYS  47          1HB       CYS  47   0.972  -6.014  -9.238
  337    H    ASN  48           H        ASN  48  -1.587  -4.123  -7.756
  338    HA   ASN  48           HA       ASN  48  -1.977  -5.500  -5.124
  339   1HB   ASN  48          2HB       ASN  48  -4.023  -4.200  -4.908
  340   2HB   ASN  48          1HB       ASN  48  -2.690  -3.103  -5.274
  341   1HD2  ASN  48          1HD2      ASN  48  -2.789  -4.293  -8.168
  342   2HD2  ASN  48          2HD2      ASN  48  -4.061  -3.433  -8.892
  343    H    THR  49           H        THR  49  -3.797  -6.951  -4.938
  344    HA   THR  49           HA       THR  49  -5.101  -7.792  -7.467
  345    HB   THR  49           HB       THR  49  -4.368 -10.020  -7.380
  346    HG1  THR  49           1HG      THR  49  -3.135  -9.728  -4.889
  347   1HG2  THR  49          1HG2      THR  49  -2.526  -8.438  -7.968
  348   2HG2  THR  49          2HG2      THR  49  -1.940  -9.939  -7.253
  349   3HG2  THR  49          3HG2      THR  49  -2.009  -8.469  -6.282
  350    H    ALA  50           H        ALA  50  -4.859  -8.004  -3.945
  351    HA   ALA  50           HA       ALA  50  -7.226  -9.500  -3.454
  352   1HB   ALA  50          1HB       ALA  50  -7.233  -8.175  -1.248
  353   2HB   ALA  50          2HB       ALA  50  -5.784  -7.380  -1.855
  354   3HB   ALA  50          3HB       ALA  50  -5.789  -9.122  -1.597
  355    H    ALA  51           H        ALA  51  -9.324  -8.604  -2.640
  356    HA   ALA  51           HA       ALA  51 -10.594  -6.921  -4.486
  357   1HB   ALA  51          1HB       ALA  51 -11.700  -8.368  -2.717
  358   2HB   ALA  51          2HB       ALA  51 -12.416  -6.768  -2.922
  359   3HB   ALA  51          3HB       ALA  51 -11.346  -7.089  -1.557
  360    H    ILE  52           H        ILE  52 -11.566  -4.700  -3.936
  361    HA   ILE  52           HA       ILE  52  -9.548  -3.019  -2.503
  362    HB   ILE  52           HB       ILE  52 -11.145  -1.995  -4.844
  363   1HG1  ILE  52          2HG1      ILE  52  -9.926  -4.112  -5.527
  364   2HG1  ILE  52          1HG1      ILE  52  -9.431  -2.664  -6.397
  365   1HG2  ILE  52          1HG2      ILE  52  -9.075  -0.563  -5.065
  366   2HG2  ILE  52          2HG2      ILE  52  -8.499  -1.274  -3.559
  367   3HG2  ILE  52          3HG2      ILE  52  -9.982  -0.319  -3.574
  368   1HD1  ILE  52          1HD1      ILE  52  -7.528  -4.134  -5.583
  369   2HD1  ILE  52          2HD1      ILE  52  -7.978  -3.674  -3.943
  370   3HD1  ILE  52          3HD1      ILE  52  -7.436  -2.446  -5.084
  371    HA   PRO  53           HA       PRO  53 -13.170  -1.898  -0.112
  372   1HB   PRO  53          2HB       PRO  53 -12.041   0.664   0.564
  373   2HB   PRO  53          1HB       PRO  53 -12.147  -0.784   1.568
  374   1HG   PRO  53          2HG       PRO  53  -9.814   0.345   0.319
  375   2HG   PRO  53          1HG       PRO  53  -9.913  -1.067   1.374
  376   1HD   PRO  53          2HD       PRO  53  -9.400  -1.035  -1.445
  377   2HD   PRO  53          1HD       PRO  53  -9.610  -2.462  -0.400
  378    H    THR  54           H        THR  54 -15.028  -1.174  -1.073
  379    HA   THR  54           HA       THR  54 -14.950   1.431  -2.539
  380    HB   THR  54           HB       THR  54 -15.928   0.573  -4.441
  381    HG1  THR  54           1HG      THR  54 -17.787  -0.189  -3.544
  382   1HG2  THR  54          1HG2      THR  54 -14.883  -2.076  -3.456
  383   2HG2  THR  54          2HG2      THR  54 -13.786  -0.751  -3.846
  384   3HG2  THR  54          3HG2      THR  54 -14.842  -1.417  -5.091
  385    H    GLY  55           H        GLY  55 -17.470   1.942  -3.061
  386   1HA   GLY  55          2HA       GLY  55 -19.626   2.338  -2.191
  387   2HA   GLY  55          1HA       GLY  55 -19.338   1.054  -1.017
  388    H    TYR  56           H        TYR  56 -16.746   2.488  -0.247
  389    HA   TYR  56           HA       TYR  56 -17.936   4.072   1.886
  390   1HB   TYR  56          2HB       TYR  56 -15.827   4.076   2.848
  391   2HB   TYR  56          1HB       TYR  56 -15.711   2.635   1.841
  392    HD1  TYR  56           1HD      TYR  56 -14.581   2.771  -0.403
  393    HD2  TYR  56           2HD      TYR  56 -14.492   6.007   2.420
  394    HE1  TYR  56           1HE      TYR  56 -12.674   3.782  -1.623
  395    HE2  TYR  56           2HE      TYR  56 -12.586   7.019   1.200
  396    HH   TYR  56           HH       TYR  56 -10.851   5.321  -1.230
  397    H    ASP  57           H        ASP  57 -18.284   6.248   1.870
  398    HA   ASP  57           HA       ASP  57 -18.180   7.833  -0.435
  399   1HB   ASP  57          2HB       ASP  57 -19.316   8.375   1.785
  400   2HB   ASP  57          1HB       ASP  57 -17.741   8.932   2.351
  401    H    THR  58           H        THR  58 -16.348   8.090  -1.644
  402    HA   THR  58           HA       THR  58 -13.730   8.403  -0.301
  403    HB   THR  58           HB       THR  58 -13.488   7.027  -2.174
  404    HG1  THR  58           1HG      THR  58 -13.145   9.387  -3.608
  405   1HG2  THR  58          1HG2      THR  58 -14.575   7.665  -4.396
  406   2HG2  THR  58          2HG2      THR  58 -15.487   8.871  -3.490
  407   3HG2  THR  58          3HG2      THR  58 -15.675   7.158  -3.114
  408    H    ASN  59           H        ASN  59 -13.829  10.490   0.609
  409    HA   ASN  59           HA       ASN  59 -14.243  12.751  -1.313
  410   1HB   ASN  59          2HB       ASN  59 -14.576  12.543   1.685
  411   2HB   ASN  59          1HB       ASN  59 -14.488  14.098   0.857
  412   1HD2  ASN  59          1HD2      ASN  59 -16.773  14.515   1.451
  413   2HD2  ASN  59          2HD2      ASN  59 -18.029  13.737   0.617
  414    H    LYS  60           H        LYS  60 -12.135  11.507   1.264
  415    HA   LYS  60           HA       LYS  60  -9.807  12.717   0.013
  416   1HB   LYS  60          2HB       LYS  60 -10.949  14.621   1.304
  417   2HB   LYS  60          1HB       LYS  60 -10.496  13.749   2.768
  418   1HG   LYS  60          2HG       LYS  60  -8.134  13.827   2.121
  419   2HG   LYS  60          1HG       LYS  60  -8.558  14.626   0.608
  420   1HD   LYS  60          2HD       LYS  60  -7.986  16.461   1.920
  421   2HD   LYS  60          1HD       LYS  60  -9.723  16.378   2.211
  422   1HE   LYS  60          2HE       LYS  60  -9.291  15.038   4.262
  423   2HE   LYS  60          1HE       LYS  60  -7.558  15.209   3.984
  424   1HZ   LYS  60          1HZ       LYS  60  -7.574  17.276   4.769
  425   2HZ   LYS  60          2HZ       LYS  60  -9.113  16.925   5.397
  426   3HZ   LYS  60          3HZ       LYS  60  -8.963  17.706   3.895
  427    H    CYS  61           H        CYS  61  -9.865  10.172   0.326
  428    HA   CYS  61           HA       CYS  61  -8.147   9.613   2.684
  429   1HB   CYS  61          2HB       CYS  61 -10.733   8.194   2.018
  430   2HB   CYS  61          1HB       CYS  61  -9.471   7.434   2.989
  431    H    GLN  62           H        GLN  62  -7.398   7.173   2.428
  432    HA   GLN  62           HA       GLN  62  -7.006   6.516  -0.455
  433   1HB   GLN  62          2HB       GLN  62  -4.529   5.964   0.445
  434   2HB   GLN  62          1HB       GLN  62  -4.956   7.546  -0.208
  435   1HG   GLN  62          2HG       GLN  62  -5.212   8.496   1.941
  436   2HG   GLN  62          1HG       GLN  62  -5.296   6.919   2.722
  437   1HE2  GLN  62          1HE2      GLN  62  -3.145   5.530   2.151
  438   2HE2  GLN  62          2HE2      GLN  62  -1.695   6.386   2.368
  439    H    LYS  63           H        LYS  63  -5.820   4.306  -0.580
  440    HA   LYS  63           HA       LYS  63  -6.926   2.510   1.548
  441   1HB   LYS  63          2HB       LYS  63  -7.034   0.781  -0.244
  442   2HB   LYS  63          1HB       LYS  63  -8.052   2.177  -0.595
  443   1HG   LYS  63          2HG       LYS  63  -6.180   3.123  -1.973
  444   2HG   LYS  63          1HG       LYS  63  -5.296   1.618  -1.724
  445   1HD   LYS  63          2HD       LYS  63  -6.922   0.344  -2.908
  446   2HD   LYS  63          1HD       LYS  63  -8.091   1.665  -2.872
  447   1HE   LYS  63          2HE       LYS  63  -6.805   2.968  -4.416
  448   2HE   LYS  63          1HE       LYS  63  -5.418   1.887  -4.272
  449   1HZ   LYS  63          1HZ       LYS  63  -6.898   0.104  -5.175
  450   2HZ   LYS  63          2HZ       LYS  63  -6.515   1.342  -6.274
  451   3HZ   LYS  63          3HZ       LYS  63  -8.040   1.308  -5.526
  452    H    ILE  64           H        ILE  64  -5.577   0.783   2.240
  453    HA   ILE  64           HA       ILE  64  -2.836   0.635   1.125
  454    HB   ILE  64           HB       ILE  64  -3.563   1.792   3.756
  455   1HG1  ILE  64          2HG1      ILE  64  -0.986   1.870   2.158
  456   2HG1  ILE  64          1HG1      ILE  64  -2.349   2.949   1.865
  457   1HG2  ILE  64          1HG2      ILE  64  -1.381  -0.292   3.477
  458   2HG2  ILE  64          2HG2      ILE  64  -2.699  -0.260   4.650
  459   3HG2  ILE  64          3HG2      ILE  64  -1.392   0.917   4.760
  460   1HD1  ILE  64          1HD1      ILE  64  -0.279   3.168   3.856
  461   2HD1  ILE  64          2HD1      ILE  64  -1.844   3.037   4.659
  462   3HD1  ILE  64          3HD1      ILE  64  -1.564   4.312   3.474
  463    H    LEU  65           H        LEU  65  -2.005  -1.427   1.261
  464    HA   LEU  65           HA       LEU  65  -3.810  -3.520   2.285
  465   1HB   LEU  65          2HB       LEU  65  -2.213  -3.344   0.062
  466   2HB   LEU  65          1HB       LEU  65  -1.175  -4.266   1.140
  467    HG   LEU  65           HG       LEU  65  -2.596  -5.716  -0.266
  468   1HD1  LEU  65          1HD1      LEU  65  -1.977  -6.803   1.699
  469   2HD1  LEU  65          2HD1      LEU  65  -3.733  -6.945   1.737
  470   3HD1  LEU  65          3HD1      LEU  65  -2.926  -5.726   2.717
  471   1HD2  LEU  65          1HD2      LEU  65  -4.850  -5.506  -0.461
  472   2HD2  LEU  65          2HD2      LEU  65  -4.564  -3.860   0.097
  473   3HD2  LEU  65          3HD2      LEU  65  -5.068  -5.104   1.240
  474    H    ASN  66           H        ASN  66  -3.585  -4.058   4.410
  475    HA   ASN  66           HA       ASN  66  -1.068  -3.580   5.832
  476   1HB   ASN  66          2HB       ASN  66  -3.814  -4.537   6.557
  477   2HB   ASN  66          1HB       ASN  66  -2.484  -4.959   7.636
  478   1HD2  ASN  66          1HD2      ASN  66  -1.675  -3.318   9.006
  479   2HD2  ASN  66          2HD2      ASN  66  -2.200  -1.704   8.961
  480    H    LYS  67           H        LYS  67   0.518  -4.964   5.085
  481    HA   LYS  67           HA       LYS  67   0.099  -7.666   4.281
  482   1HB   LYS  67          2HB       LYS  67   2.737  -6.947   5.476
  483   2HB   LYS  67          1HB       LYS  67   2.376  -7.743   3.947
  484   1HG   LYS  67          2HG       LYS  67   3.085  -5.677   3.167
  485   2HG   LYS  67          1HG       LYS  67   1.358  -5.367   3.326
  486   1HD   LYS  67          2HD       LYS  67   2.199  -3.537   4.478
  487   2HD   LYS  67          1HD       LYS  67   2.052  -4.687   5.807
  488   1HE   LYS  67          2HE       LYS  67   4.250  -3.732   5.964
  489   2HE   LYS  67          1HE       LYS  67   4.454  -5.367   5.338
  490   1HZ   LYS  67          1HZ       LYS  67   5.586  -4.395   3.703
  491   2HZ   LYS  67          2HZ       LYS  67   5.004  -2.845   4.083
  492   3HZ   LYS  67          3HZ       LYS  67   4.085  -3.885   3.102
  493    H    LYS  68           H        LYS  68  -0.358  -6.421   7.303
  494    HA   LYS  68           HA       LYS  68   0.942  -8.246   9.041
  495   1HB   LYS  68          2HB       LYS  68  -0.457  -6.171   9.655
  496   2HB   LYS  68          1HB       LYS  68  -1.869  -7.215   9.481
  497   1HG   LYS  68          2HG       LYS  68  -1.422  -7.495  11.745
  498   2HG   LYS  68          1HG       LYS  68  -0.483  -8.824  11.067
  499   1HD   LYS  68          2HD       LYS  68   1.128  -7.847  12.420
  500   2HD   LYS  68          1HD       LYS  68   1.416  -6.962  10.922
  501   1HE   LYS  68          2HE       LYS  68   1.296  -5.343  12.708
  502   2HE   LYS  68          1HE       LYS  68  -0.185  -5.195  11.761
  503   1HZ   LYS  68          1HZ       LYS  68   0.200  -6.404  14.419
  504   2HZ   LYS  68          2HZ       LYS  68  -1.103  -6.887  13.442
  505   3HZ   LYS  68          3HZ       LYS  68  -0.953  -5.264  13.921
  506    H    THR  69           H        THR  69  -2.372  -8.400   7.732
  507    HA   THR  69           HA       THR  69  -2.165 -11.385   7.787
  508    HB   THR  69           HB       THR  69  -4.669 -11.328   8.345
  509    HG1  THR  69           1HG      THR  69  -3.978  -8.669   8.432
  510   1HG2  THR  69          1HG2      THR  69  -4.173 -10.834  10.806
  511   2HG2  THR  69          2HG2      THR  69  -2.535 -10.439  10.289
  512   3HG2  THR  69          3HG2      THR  69  -3.170 -12.065  10.041
  513    H    CYS  70           H        CYS  70  -1.768  -9.437   5.608
  514    HA   CYS  70           HA       CYS  70  -2.492  -9.054   3.403
  515   1HB   CYS  70          2HB       CYS  70  -2.106 -11.386   3.066
  516   2HB   CYS  70          1HB       CYS  70  -3.546 -11.831   3.982
  517    H    THR  71           H        THR  71  -3.918  -7.358   4.482
  518    HA   THR  71           HA       THR  71  -6.753  -7.913   3.754
  519    HB   THR  71           HB       THR  71  -7.625  -7.305   5.821
  520    HG1  THR  71           1HG      THR  71  -5.317  -5.769   5.925
  521   1HG2  THR  71          1HG2      THR  71  -6.195  -9.376   6.001
  522   2HG2  THR  71          2HG2      THR  71  -6.436  -8.527   7.528
  523   3HG2  THR  71          3HG2      THR  71  -4.912  -8.358   6.655
  524    H    TYR  72           H        TYR  72  -8.011  -5.768   3.736
  525    HA   TYR  72           HA       TYR  72  -6.212  -3.635   2.654
  526   1HB   TYR  72          2HB       TYR  72  -8.641  -4.840   1.679
  527   2HB   TYR  72          1HB       TYR  72  -8.936  -3.128   1.972
  528    HD1  TYR  72           1HD      TYR  72  -7.798  -5.426  -0.414
  529    HD2  TYR  72           2HD      TYR  72  -6.888  -1.548   1.196
  530    HE1  TYR  72           1HE      TYR  72  -6.574  -4.851  -2.492
  531    HE2  TYR  72           2HE      TYR  72  -5.661  -0.976  -0.882
  532    HH   TYR  72           HH       TYR  72  -4.522  -3.032  -2.971
  533    H    THR  73           H        THR  73  -6.460  -1.518   3.397
  534    HA   THR  73           HA       THR  73  -8.493  -1.018   5.516
  535    HB   THR  73           HB       THR  73  -6.849  -0.085   7.016
  536    HG1  THR  73           1HG      THR  73  -4.565  -0.736   5.900
  537   1HG2  THR  73          1HG2      THR  73  -7.149  -2.638   6.831
  538   2HG2  THR  73          2HG2      THR  73  -5.715  -2.054   7.676
  539   3HG2  THR  73          3HG2      THR  73  -5.586  -2.634   6.015
  540    H    VAL  74           H        VAL  74  -8.488   1.424   6.043
  541    HA   VAL  74           HA       VAL  74  -7.729   3.030   3.639
  542    HB   VAL  74           HB       VAL  74 -10.324   3.522   5.084
  543   1HG1  VAL  74          1HG1      VAL  74  -9.527   3.918   2.189
  544   2HG1  VAL  74          2HG1      VAL  74  -9.313   5.153   3.430
  545   3HG1  VAL  74          3HG1      VAL  74 -10.932   4.592   3.014
  546   1HG2  VAL  74          1HG2      VAL  74  -9.811   1.530   2.855
  547   2HG2  VAL  74          2HG2      VAL  74 -11.413   2.118   3.299
  548   3HG2  VAL  74          3HG2      VAL  74 -10.466   1.184   4.456
  549    H    VAL  75           H        VAL  75  -6.324   4.525   4.375
  550    HA   VAL  75           HA       VAL  75  -6.762   5.683   7.101
  551    HB   VAL  75           HB       VAL  75  -4.275   6.480   6.561
  552   1HG1  VAL  75          1HG1      VAL  75  -4.832   5.103   8.471
  553   2HG1  VAL  75          2HG1      VAL  75  -3.479   4.345   7.632
  554   3HG1  VAL  75          3HG1      VAL  75  -5.109   3.702   7.437
  555   1HG2  VAL  75          1HG2      VAL  75  -4.379   3.844   5.087
  556   2HG2  VAL  75          2HG2      VAL  75  -3.061   5.014   5.142
  557   3HG2  VAL  75          3HG2      VAL  75  -4.528   5.381   4.236
  558    H    GLU  76           H        GLU  76  -5.926   8.058   7.186
  559    HA   GLU  76           HA       GLU  76  -7.020   9.476   4.787
  560   1HB   GLU  76          2HB       GLU  76  -8.110   9.743   7.113
  561   2HB   GLU  76          1HB       GLU  76  -6.675  10.678   7.535
  562   1HG   GLU  76          2HG       GLU  76  -7.103  12.148   5.559
  563   2HG   GLU  76          1HG       GLU  76  -8.600  11.262   5.266
  564    H    LYS  77           H        LYS  77  -5.822  11.146   3.867
  565    HA   LYS  77           HA       LYS  77  -2.964  11.020   4.126
  566   1HB   LYS  77          2HB       LYS  77  -4.866  12.914   2.749
  567   2HB   LYS  77          1HB       LYS  77  -3.134  13.237   2.774
  568   1HG   LYS  77          2HG       LYS  77  -4.083  10.508   1.958
  569   2HG   LYS  77          1HG       LYS  77  -4.205  11.829   0.799
  570   1HD   LYS  77          2HD       LYS  77  -1.615  11.438   2.268
  571   2HD   LYS  77          1HD       LYS  77  -2.002  10.360   0.928
  572   1HE   LYS  77          2HE       LYS  77  -2.355  12.325  -0.539
  573   2HE   LYS  77          1HE       LYS  77  -1.926  13.390   0.799
  574   1HZ   LYS  77          1HZ       LYS  77  -0.169  12.473  -0.973
  575   2HZ   LYS  77          2HZ       LYS  77  -0.037  11.266   0.216
  576   3HZ   LYS  77          3HZ       LYS  77   0.243  12.893   0.618
  577    H    LYS  78           H        LYS  78  -5.298  12.512   6.074
  578    HA   LYS  78           HA       LYS  78  -3.256  14.425   7.155
  579   1HB   LYS  78          2HB       LYS  78  -5.427  15.358   6.119
  580   2HB   LYS  78          1HB       LYS  78  -6.241  14.688   7.532
  581   1HG   LYS  78          2HG       LYS  78  -4.080  16.017   8.659
  582   2HG   LYS  78          1HG       LYS  78  -4.521  17.071   7.317
  583   1HD   LYS  78          2HD       LYS  78  -6.510  16.022   9.353
  584   2HD   LYS  78          1HD       LYS  78  -5.719  17.592   9.473
  585   1HE   LYS  78          2HE       LYS  78  -7.214  16.798   6.976
  586   2HE   LYS  78          1HE       LYS  78  -8.053  17.510   8.354
  587   1HZ   LYS  78          1HZ       LYS  78  -5.681  18.947   7.729
  588   2HZ   LYS  78          2HZ       LYS  78  -7.282  19.506   7.836
  589   3HZ   LYS  78          3HZ       LYS  78  -6.702  18.856   6.378
  590    H    ASP  79           H        ASP  79  -4.457  11.474   7.793
  591    HA   ASP  79           HA       ASP  79  -3.972  11.791  10.682
  592   1HB   ASP  79          2HB       ASP  79  -6.478  12.200  10.173
  593   2HB   ASP  79          1HB       ASP  79  -6.549  10.471   9.830
  594    HA   PRO  80           HA       PRO  80  -2.589   7.795   8.660
  595   1HB   PRO  80          2HB       PRO  80  -0.045   8.197   9.949
  596   2HB   PRO  80          1HB       PRO  80  -0.411   8.229   8.222
  597   1HG   PRO  80          2HG       PRO  80   0.288  10.438   9.871
  598   2HG   PRO  80          1HG       PRO  80  -0.213  10.482   8.178
  599   1HD   PRO  80          2HD       PRO  80  -1.719  11.299  10.544
  600   2HD   PRO  80          1HD       PRO  80  -2.131  11.533   8.827
  601    H    GLY  81           H        GLY  81  -3.813   8.573  11.417
  602   1HA   GLY  81          2HA       GLY  81  -2.788   6.162  12.869
  603   2HA   GLY  81          1HA       GLY  81  -3.094   7.673  13.726
  604    H    LYS  82           H        LYS  82  -5.360   7.485  11.319
  605    HA   LYS  82           HA       LYS  82  -7.277   5.880  12.951
  606   1HB   LYS  82          2HB       LYS  82  -7.774   8.676  11.878
  607   2HB   LYS  82          1HB       LYS  82  -8.993   7.646  12.631
  608   1HG   LYS  82          2HG       LYS  82  -7.295   7.520  14.620
  609   2HG   LYS  82          1HG       LYS  82  -6.598   8.967  13.891
  610   1HD   LYS  82          2HD       LYS  82  -8.950   9.950  13.897
  611   2HD   LYS  82          1HD       LYS  82  -9.420   8.589  14.914
  612   1HE   LYS  82          2HE       LYS  82  -7.576  10.871  15.541
  613   2HE   LYS  82          1HE       LYS  82  -8.859  10.171  16.528
  614   1HZ   LYS  82          1HZ       LYS  82  -6.106   9.258  16.131
  615   2HZ   LYS  82          2HZ       LYS  82  -7.307   8.083  16.390
  616   3HZ   LYS  82          3HZ       LYS  82  -7.038   9.298  17.547
  617    H    THR  83           H        THR  83  -8.658   4.666  11.698
  618    HA   THR  83           HA       THR  83  -8.100   4.457   8.863
  619    HB   THR  83           HB       THR  83  -9.961   2.791   8.889
  620    HG1  THR  83           1HG      THR  83 -10.092   3.386  11.650
  621   1HG2  THR  83          1HG2      THR  83  -7.812   1.921   9.419
  622   2HG2  THR  83          2HG2      THR  83  -8.886   1.301  10.673
  623   3HG2  THR  83          3HG2      THR  83  -7.824   2.665  11.018
  624    H    CYS  84           H        CYS  84  -9.640   4.849   7.138
  625    HA   CYS  84           HA       CYS  84 -11.294   7.243   7.645
  626   1HB   CYS  84          2HB       CYS  84  -9.745   6.961   5.630
  627   2HB   CYS  84          1HB       CYS  84 -10.914   5.793   5.016
  628    H    ASP  85           H        ASP  85 -13.413   7.066   6.025
  629    HA   ASP  85           HA       ASP  85 -15.163   5.216   7.388
  630   1HB   ASP  85          2HB       ASP  85 -15.888   7.428   6.458
  631   2HB   ASP  85          1HB       ASP  85 -15.691   6.764   4.835
  632    H    VAL  86           H        VAL  86 -16.027   3.268   6.647
  633    HA   VAL  86           HA       VAL  86 -15.027   2.256   4.015
  634    HB   VAL  86           HB       VAL  86 -15.324   0.463   6.421
  635   1HG1  VAL  86          1HG1      VAL  86 -13.697   0.347   3.862
  636   2HG1  VAL  86          2HG1      VAL  86 -15.133  -0.607   4.231
  637   3HG1  VAL  86          3HG1      VAL  86 -13.645  -0.867   5.140
  638   1HG2  VAL  86          1HG2      VAL  86 -12.832   0.741   6.713
  639   2HG2  VAL  86          2HG2      VAL  86 -13.770   2.169   7.154
  640   3HG2  VAL  86          3HG2      VAL  86 -12.915   2.117   5.612
  641    H    THR  87           H        THR  87 -16.371   0.308   3.296
  642    HA   THR  87           HA       THR  87 -19.110   0.265   4.420
  643    HB   THR  87           HB       THR  87 -18.505   0.939   1.526
  644    HG1  THR  87           1HG      THR  87 -18.681   2.472   3.588
  645   1HG2  THR  87          1HG2      THR  87 -21.073   0.294   2.983
  646   2HG2  THR  87          2HG2      THR  87 -20.417  -0.494   1.549
  647   3HG2  THR  87          3HG2      THR  87 -21.043   1.151   1.442
  648    H    GLY  88           H        GLY  88 -16.921  -0.972   1.902
  649   1HA   GLY  88          2HA       GLY  88 -17.305  -3.702   2.670
  650   2HA   GLY  88          1HA       GLY  88 -18.334  -3.343   1.283
  651    H    TRP  89           H        TRP  89 -17.040  -4.801  -0.018
  652    HA   TRP  89           HA       TRP  89 -14.661  -3.458  -1.146
  653   1HB   TRP  89          2HB       TRP  89 -14.411  -6.374  -0.441
  654   2HB   TRP  89          1HB       TRP  89 -13.137  -5.189  -0.741
  655    HD1  TRP  89           HD       TRP  89 -12.388  -3.645   1.240
  656    HE1  TRP  89           1HE      TRP  89 -12.857  -3.682   3.775
  657    HE3  TRP  89           3HE      TRP  89 -16.262  -6.970   1.371
  658    HZ2  TRP  89           2HZ      TRP  89 -14.641  -4.955   5.614
  659    HZ3  TRP  89           3HZ      TRP  89 -17.327  -7.576   3.526
  660    HH2  TRP  89           HH       TRP  89 -16.521  -6.573   5.646
  661    H    VAL  90           H        VAL  90 -14.045  -4.444  -3.242
  662    HA   VAL  90           HA       VAL  90 -16.027  -6.316  -4.407
  663    HB   VAL  90           HB       VAL  90 -15.413  -3.616  -5.637
  664   1HG1  VAL  90          1HG1      VAL  90 -17.205  -5.918  -6.450
  665   2HG1  VAL  90          2HG1      VAL  90 -15.828  -5.270  -7.342
  666   3HG1  VAL  90          3HG1      VAL  90 -17.297  -4.310  -7.170
  667   1HG2  VAL  90          1HG2      VAL  90 -17.836  -4.678  -4.161
  668   2HG2  VAL  90          2HG2      VAL  90 -17.884  -3.240  -5.182
  669   3HG2  VAL  90          3HG2      VAL  90 -16.863  -3.268  -3.746
  670    H    LEU  91           H        LEU  91 -14.989  -7.742  -5.733
  671    HA   LEU  91           HA       LEU  91 -12.121  -7.380  -6.217
  672   1HB   LEU  91          2HB       LEU  91 -13.466  -9.592  -5.707
  673   2HB   LEU  91          1HB       LEU  91 -13.745  -9.593  -7.447
  674    HG   LEU  91           HG       LEU  91 -11.030  -9.464  -6.100
  675   1HD1  LEU  91          1HD1      LEU  91 -12.500 -11.679  -7.552
  676   2HD1  LEU  91          2HD1      LEU  91 -11.969 -11.679  -5.871
  677   3HD1  LEU  91          3HD1      LEU  91 -10.780 -11.735  -7.171
  678   1HD2  LEU  91          1HD2      LEU  91 -10.344  -9.973  -8.559
  679   2HD2  LEU  91          2HD2      LEU  91 -10.795  -8.318  -8.152
  680   3HD2  LEU  91          3HD2      LEU  91 -11.948  -9.368  -8.975
  Start of MODEL   18
    1   1H    GLN   1          1HT       GLN   1  -4.728  -4.572 -14.439
    2   2H    GLN   1          2HT       GLN   1  -4.269  -3.024 -13.911
    3   3H    GLN   1          3HT       GLN   1  -4.488  -4.278 -12.787
    4    HA   GLN   1           HA       GLN   1  -2.616  -5.484 -13.735
    5   1HB   GLN   1          2HB       GLN   1  -2.377  -2.995 -15.453
    6   2HB   GLN   1          1HB       GLN   1  -1.193  -4.302 -15.386
    7   1HG   GLN   1          2HG       GLN   1  -2.943  -5.898 -16.136
    8   2HG   GLN   1          1HG       GLN   1  -4.085  -4.559 -16.265
    9   1HE2  GLN   1          1HE2      GLN   1  -4.208  -3.666 -18.324
   10   2HE2  GLN   1          2HE2      GLN   1  -2.969  -3.709 -19.484
   11    H    CYS   2           H        CYS   2  -0.209  -4.502 -13.478
   12    HA   CYS   2           HA       CYS   2  -0.185  -3.266 -10.859
   13   1HB   CYS   2          2HB       CYS   2   1.550  -4.889 -11.924
   14   2HB   CYS   2          1HB       CYS   2   2.219  -3.438 -12.672
   15    H    TYR   3           H        TYR   3   1.290  -1.262 -10.514
   16    HA   TYR   3           HA       TYR   3   1.130   0.691 -12.737
   17   1HB   TYR   3          2HB       TYR   3  -1.020   0.752 -11.309
   18   2HB   TYR   3          1HB       TYR   3  -0.002   1.416 -10.030
   19    HD1  TYR   3           1HD      TYR   3   0.394   3.726  -9.959
   20    HD2  TYR   3           2HD      TYR   3  -0.819   1.908 -13.657
   21    HE1  TYR   3           1HE      TYR   3   0.250   5.966 -11.013
   22    HE2  TYR   3           2HE      TYR   3  -0.963   4.147 -14.710
   23    HH   TYR   3           HH       TYR   3   0.354   6.930 -13.297
   24    H    PHE   4           H        PHE   4   2.591   2.450 -12.459
   25    HA   PHE   4           HA       PHE   4   4.598   2.033 -10.275
   26   1HB   PHE   4          2HB       PHE   4   4.792   2.923 -13.130
   27   2HB   PHE   4          1HB       PHE   4   5.951   3.582 -11.976
   28    HD1  PHE   4           1HD      PHE   4   7.794   2.300 -11.238
   29    HD2  PHE   4           2HD      PHE   4   4.531   0.375 -13.263
   30    HE1  PHE   4           1HE      PHE   4   9.100   0.195 -11.339
   31    HE2  PHE   4           2HE      PHE   4   5.837  -1.731 -13.364
   32    HZ   PHE   4           HZ       PHE   4   8.121  -1.822 -12.403
   33    H    ILE   5           H        ILE   5   4.710   3.604  -8.753
   34    HA   ILE   5           HA       ILE   5   3.417   6.233  -9.347
   35    HB   ILE   5           HB       ILE   5   3.850   4.790  -6.723
   36   1HG1  ILE   5          2HG1      ILE   5   1.242   5.163  -6.767
   37   2HG1  ILE   5          1HG1      ILE   5   1.477   5.336  -8.504
   38   1HG2  ILE   5          1HG2      ILE   5   2.462   6.760  -5.848
   39   2HG2  ILE   5          2HG2      ILE   5   2.858   7.572  -7.361
   40   3HG2  ILE   5          3HG2      ILE   5   4.145   7.104  -6.248
   41   1HD1  ILE   5          1HD1      ILE   5   2.334   3.125  -8.713
   42   2HD1  ILE   5          2HD1      ILE   5   0.941   2.977  -7.645
   43   3HD1  ILE   5          3HD1      ILE   5   2.571   2.968  -6.972
   44    HA   PRO   6           HA       PRO   6   7.789   7.484  -9.154
   45   1HB   PRO   6          2HB       PRO   6   6.949  10.225  -9.438
   46   2HB   PRO   6          1HB       PRO   6   7.717   9.185 -10.641
   47   1HG   PRO   6          2HG       PRO   6   4.999  10.085 -10.583
   48   2HG   PRO   6          1HG       PRO   6   5.765   9.025 -11.769
   49   1HD   PRO   6          2HD       PRO   6   3.833   8.319  -9.740
   50   2HD   PRO   6          1HD       PRO   6   4.588   7.253 -10.953
   51    H    ASN   7           H        ASN   7   8.861   7.820  -7.248
   52    HA   ASN   7           HA       ASN   7   7.680   8.343  -4.780
   53   1HB   ASN   7          2HB       ASN   7  10.138   7.682  -5.379
   54   2HB   ASN   7          1HB       ASN   7  10.430   9.421  -5.382
   55   1HD2  ASN   7          1HD2      ASN   7  10.070   6.653  -3.349
   56   2HD2  ASN   7          2HD2      ASN   7  10.060   7.473  -1.862
   57    H    GLN   8           H        GLN   8   7.770  10.318  -3.420
   58    HA   GLN   8           HA       GLN   8   7.484  12.813  -5.059
   59   1HB   GLN   8          2HB       GLN   8   5.928  13.502  -3.105
   60   2HB   GLN   8          1HB       GLN   8   5.306  12.335  -4.271
   61   1HG   GLN   8          2HG       GLN   8   6.730  11.430  -1.769
   62   2HG   GLN   8          1HG       GLN   8   5.004  11.790  -1.759
   63   1HE2  GLN   8          1HE2      GLN   8   7.216   9.291  -2.288
   64   2HE2  GLN   8          2HE2      GLN   8   6.217   8.251  -3.181
   65    H    SER   9           H        SER   9   9.322  11.271  -2.722
   66    HA   SER   9           HA       SER   9   9.857  13.291  -0.812
   67   1HB   SER   9          2HB       SER   9  10.841  11.219  -0.323
   68   2HB   SER   9          1HB       SER   9  11.480  11.029  -1.953
   69    HG   SER   9           HG       SER   9  12.428  12.553   0.199
   70    H    LEU  10           H        LEU  10  11.819  14.701  -0.719
   71    HA   LEU  10           HA       LEU  10  12.158  16.111  -3.281
   72   1HB   LEU  10          2HB       LEU  10  12.979  16.652  -0.429
   73   2HB   LEU  10          1HB       LEU  10  13.661  17.593  -1.755
   74    HG   LEU  10           HG       LEU  10  11.352  18.159  -2.502
   75   1HD1  LEU  10          1HD1      LEU  10  10.048  16.343  -1.688
   76   2HD1  LEU  10          2HD1      LEU  10   9.547  17.730  -0.720
   77   3HD1  LEU  10          3HD1      LEU  10  10.660  16.538  -0.045
   78   1HD2  LEU  10          1HD2      LEU  10  10.929  19.788  -0.764
   79   2HD2  LEU  10          2HD2      LEU  10  12.677  19.596  -0.899
   80   3HD2  LEU  10          3HD2      LEU  10  11.804  18.821   0.423
   81    H    LYS  11           H        LYS  11  13.862  13.790  -1.359
   82    HA   LYS  11           HA       LYS  11  16.049  13.808  -3.355
   83   1HB   LYS  11          2HB       LYS  11  16.852  13.570  -0.477
   84   2HB   LYS  11          1HB       LYS  11  17.785  14.161  -1.853
   85   1HG   LYS  11          2HG       LYS  11  16.351  16.192  -1.921
   86   2HG   LYS  11          1HG       LYS  11  15.493  15.608  -0.495
   87   1HD   LYS  11          2HD       LYS  11  17.718  15.530   0.703
   88   2HD   LYS  11          1HD       LYS  11  18.421  16.353  -0.690
   89   1HE   LYS  11          2HE       LYS  11  17.155  18.312  -0.325
   90   2HE   LYS  11          1HE       LYS  11  16.004  17.481   0.721
   91   1HZ   LYS  11          1HZ       LYS  11  17.538  17.368   2.448
   92   2HZ   LYS  11          2HZ       LYS  11  17.753  18.932   1.822
   93   3HZ   LYS  11          3HZ       LYS  11  18.860  17.701   1.439
   94    HA   PRO  12           HA       PRO  12  15.430   9.421  -3.042
   95   1HB   PRO  12          2HB       PRO  12  18.230   8.808  -3.336
   96   2HB   PRO  12          1HB       PRO  12  16.960   8.726  -4.558
   97   1HG   PRO  12          2HG       PRO  12  19.079  10.668  -4.308
   98   2HG   PRO  12          1HG       PRO  12  17.868  10.522  -5.585
   99   1HD   PRO  12          2HD       PRO  12  18.017  12.550  -3.575
  100   2HD   PRO  12          1HD       PRO  12  16.713  12.304  -4.763
  101    H    ASN  13           H        ASN  13  17.440   7.602  -2.055
  102    HA   ASN  13           HA       ASN  13  18.181   6.666  -0.047
  103   1HB   ASN  13          2HB       ASN  13  19.463   8.931  -0.095
  104   2HB   ASN  13          1HB       ASN  13  18.293   9.444   1.121
  105   1HD2  ASN  13          1HD2      ASN  13  19.392   9.314   3.096
  106   2HD2  ASN  13          2HD2      ASN  13  20.272   7.962   3.621
  107    H    GLU  14           H        GLU  14  15.366   6.926  -0.467
  108    HA   GLU  14           HA       GLU  14  14.405   6.360   2.168
  109   1HB   GLU  14          2HB       GLU  14  13.008   8.285   2.612
  110   2HB   GLU  14          1HB       GLU  14  14.652   8.864   2.356
  111   1HG   GLU  14          2HG       GLU  14  13.972   9.177  -0.108
  112   2HG   GLU  14          1HG       GLU  14  12.311   8.987   0.453
  113    H    CYS  15           H        CYS  15  11.904   6.231   2.128
  114    HA   CYS  15           HA       CYS  15  10.803   5.909  -0.608
  115   1HB   CYS  15          2HB       CYS  15  11.434   3.703   1.279
  116   2HB   CYS  15          1HB       CYS  15   9.841   3.626   0.528
  117    H    GLN  16           H        GLN  16   9.455   7.703   0.008
  118    HA   GLN  16           HA       GLN  16   7.580   7.228   2.274
  119   1HB   GLN  16          2HB       GLN  16   8.868   9.447   1.900
  120   2HB   GLN  16          1HB       GLN  16   7.724   9.729   0.589
  121   1HG   GLN  16          2HG       GLN  16   6.691  10.763   2.438
  122   2HG   GLN  16          1HG       GLN  16   5.893   9.192   2.350
  123   1HE2  GLN  16          1HE2      GLN  16   8.926   8.409   3.355
  124   2HE2  GLN  16          2HE2      GLN  16   8.715   8.494   5.037
  125    H    ASP  17           H        ASP  17   5.314   7.202   1.928
  126    HA   ASP  17           HA       ASP  17   4.250   7.537  -0.786
  127   1HB   ASP  17          2HB       ASP  17   5.210   5.110  -0.487
  128   2HB   ASP  17          1HB       ASP  17   3.763   4.851   0.486
  129    H    LEU  18           H        LEU  18   1.889   7.581  -0.757
  130    HA   LEU  18           HA       LEU  18  -0.080   8.370   0.271
  131   1HB   LEU  18          2HB       LEU  18   0.760   6.059   2.039
  132   2HB   LEU  18          1HB       LEU  18  -0.774   6.901   2.244
  133    HG   LEU  18           HG       LEU  18  -1.240   6.429  -0.208
  134   1HD1  LEU  18          1HD1      LEU  18   1.294   4.843   0.191
  135   2HD1  LEU  18          2HD1      LEU  18   0.856   5.909  -1.144
  136   3HD1  LEU  18          3HD1      LEU  18   0.089   4.330  -0.989
  137   1HD2  LEU  18          1HD2      LEU  18  -1.721   3.959   0.262
  138   2HD2  LEU  18          2HD2      LEU  18  -2.389   5.110   1.420
  139   3HD2  LEU  18          3HD2      LEU  18  -0.928   4.204   1.819
  140    H    LYS  19           H        LYS  19  -0.566   8.272   3.202
  141    HA   LYS  19           HA       LYS  19   1.294  10.482   4.000
  142   1HB   LYS  19          2HB       LYS  19  -1.351  10.762   3.641
  143   2HB   LYS  19          1HB       LYS  19  -1.378  10.179   5.303
  144   1HG   LYS  19          2HG       LYS  19  -1.169  12.470   5.656
  145   2HG   LYS  19          1HG       LYS  19   0.527  11.990   5.639
  146   1HD   LYS  19          2HD       LYS  19   0.508  12.485   3.135
  147   2HD   LYS  19          1HD       LYS  19  -1.066  13.238   3.389
  148   1HE   LYS  19          2HE       LYS  19   1.455  14.012   4.885
  149   2HE   LYS  19          1HE       LYS  19   0.829  14.874   3.478
  150   1HZ   LYS  19          1HZ       LYS  19  -0.495  14.519   6.108
  151   2HZ   LYS  19          2HZ       LYS  19  -1.286  15.135   4.736
  152   3HZ   LYS  19          3HZ       LYS  19   0.034  15.970   5.407
  153    H    GLY  20           H        GLY  20   1.266   7.388   4.490
  154   1HA   GLY  20          2HA       GLY  20   1.979   7.651   7.356
  155   2HA   GLY  20          1HA       GLY  20   0.743   6.464   6.945
  156    H    VAL  21           H        VAL  21   3.214   6.957   4.583
  157    HA   VAL  21           HA       VAL  21   4.487   4.380   5.443
  158    HB   VAL  21           HB       VAL  21   4.347   5.508   2.639
  159   1HG1  VAL  21          1HG1      VAL  21   4.998   3.189   2.033
  160   2HG1  VAL  21          2HG1      VAL  21   5.115   2.794   3.747
  161   3HG1  VAL  21          3HG1      VAL  21   6.215   3.975   3.038
  162   1HG2  VAL  21          1HG2      VAL  21   2.692   3.293   3.889
  163   2HG2  VAL  21          2HG2      VAL  21   2.575   3.880   2.231
  164   3HG2  VAL  21          3HG2      VAL  21   2.096   4.921   3.569
  165    H    SER  22           H        SER  22   6.686   4.392   5.738
  166    HA   SER  22           HA       SER  22   8.431   6.331   4.475
  167   1HB   SER  22          2HB       SER  22   7.456   7.820   6.157
  168   2HB   SER  22          1HB       SER  22   7.817   6.658   7.429
  169    HG   SER  22           HG       SER  22   9.655   8.053   5.772
  170    H    HIS  23           H        HIS  23  10.026   4.873   4.043
  171    HA   HIS  23           HA       HIS  23  11.360   3.567   6.331
  172   1HB   HIS  23          2HB       HIS  23   9.776   2.144   4.250
  173   2HB   HIS  23          1HB       HIS  23  11.346   1.442   4.632
  174    HD1  HIS  23           1HD      HIS  23   8.374   2.820   6.613
  175    HD2  HIS  23           2HD      HIS  23  11.173  -0.265   6.784
  176    HE1  HIS  23           1HE      HIS  23   7.810   1.453   8.670
  177    HA   PRO  24           HA       PRO  24  15.011   4.548   4.040
  178   1HB   PRO  24          2HB       PRO  24  16.249   1.964   4.327
  179   2HB   PRO  24          1HB       PRO  24  16.573   3.438   5.244
  180   1HG   PRO  24          2HG       PRO  24  15.161   1.063   6.099
  181   2HG   PRO  24          1HG       PRO  24  15.604   2.483   7.052
  182   1HD   PRO  24          2HD       PRO  24  12.984   1.739   6.221
  183   2HD   PRO  24          1HD       PRO  24  13.467   3.274   6.987
  184    H    LEU  25           H        LEU  25  15.902   4.267   1.925
  185    HA   LEU  25           HA       LEU  25  14.279   3.039  -0.036
  186   1HB   LEU  25          2HB       LEU  25  16.616   4.606  -0.020
  187   2HB   LEU  25          1HB       LEU  25  17.084   3.125  -0.850
  188    HG   LEU  25           HG       LEU  25  14.586   4.695  -1.551
  189   1HD1  LEU  25          1HD1      LEU  25  16.338   6.194  -2.072
  190   2HD1  LEU  25          2HD1      LEU  25  16.037   5.346  -3.587
  191   3HD1  LEU  25          3HD1      LEU  25  17.415   4.896  -2.583
  192   1HD2  LEU  25          1HD2      LEU  25  14.549   2.361  -2.258
  193   2HD2  LEU  25          2HD2      LEU  25  16.167   2.512  -2.946
  194   3HD2  LEU  25          3HD2      LEU  25  14.815   3.381  -3.671
  195    H    ASN  26           H        ASN  26  15.838   1.403  -1.626
  196    HA   ASN  26           HA       ASN  26  16.230  -0.910  -1.851
  197   1HB   ASN  26          2HB       ASN  26  18.406  -0.042  -0.969
  198   2HB   ASN  26          1HB       ASN  26  17.847  -0.403   0.665
  199   1HD2  ASN  26          1HD2      ASN  26  18.127  -2.537   1.405
  200   2HD2  ASN  26          2HD2      ASN  26  18.619  -3.830   0.422
  201    H    SER  27           H        SER  27  13.834  -1.062  -1.096
  202    HA   SER  27           HA       SER  27  13.763  -3.000   1.146
  203   1HB   SER  27          2HB       SER  27  12.042  -0.508   1.012
  204   2HB   SER  27          1HB       SER  27  11.758  -1.853   2.113
  205    HG   SER  27           HG       SER  27  13.479  -1.301   3.249
  206    H    VAL  28           H        VAL  28  13.080  -4.702  -0.112
  207    HA   VAL  28           HA       VAL  28  10.682  -4.279  -1.850
  208    HB   VAL  28           HB       VAL  28  11.523  -6.654  -2.672
  209   1HG1  VAL  28          1HG1      VAL  28  13.074  -5.457  -4.277
  210   2HG1  VAL  28          2HG1      VAL  28  12.818  -3.996  -3.322
  211   3HG1  VAL  28          3HG1      VAL  28  11.461  -4.757  -4.151
  212   1HG2  VAL  28          1HG2      VAL  28  14.095  -5.413  -1.662
  213   2HG2  VAL  28          2HG2      VAL  28  13.902  -6.977  -2.453
  214   3HG2  VAL  28          3HG2      VAL  28  13.260  -6.725  -0.830
  215    H    TRP  29           H        TRP  29   8.814  -5.362  -1.305
  216    HA   TRP  29           HA       TRP  29   8.961  -7.701   0.499
  217   1HB   TRP  29          2HB       TRP  29   7.424  -6.758   2.136
  218   2HB   TRP  29          1HB       TRP  29   8.826  -5.697   1.992
  219    HD1  TRP  29           HD       TRP  29   5.116  -5.908   1.172
  220    HE1  TRP  29           1HE      TRP  29   4.273  -3.566   0.503
  221    HE3  TRP  29           3HE      TRP  29   9.559  -3.397   0.956
  222    HZ2  TRP  29           2HZ      TRP  29   5.340  -0.971  -0.050
  223    HZ3  TRP  29           3HZ      TRP  29   9.615  -0.993   0.357
  224    HH2  TRP  29           HH       TRP  29   7.513   0.221  -0.146
  225    H    LYS  30           H        LYS  30   7.338  -9.143   0.047
  226    HA   LYS  30           HA       LYS  30   4.927  -8.208  -1.401
  227   1HB   LYS  30          2HB       LYS  30   5.202  -9.909  -3.149
  228   2HB   LYS  30          1HB       LYS  30   6.566  -8.792  -3.152
  229   1HG   LYS  30          2HG       LYS  30   7.497 -10.662  -1.411
  230   2HG   LYS  30          1HG       LYS  30   6.489 -11.676  -2.444
  231   1HD   LYS  30          2HD       LYS  30   7.645 -10.572  -4.430
  232   2HD   LYS  30          1HD       LYS  30   8.794  -9.906  -3.269
  233   1HE   LYS  30          2HE       LYS  30   9.767 -11.947  -4.063
  234   2HE   LYS  30          1HE       LYS  30   9.155 -12.291  -2.445
  235   1HZ   LYS  30          1HZ       LYS  30   8.606 -13.848  -4.459
  236   2HZ   LYS  30          2HZ       LYS  30   7.367 -12.715  -4.726
  237   3HZ   LYS  30          3HZ       LYS  30   7.456 -13.550  -3.248
  238    H    THR  31           H        THR  31   3.169  -9.722  -1.240
  239    HA   THR  31           HA       THR  31   3.435 -11.544   1.077
  240    HB   THR  31           HB       THR  31   1.037 -11.587   1.106
  241    HG1  THR  31           1HG      THR  31   1.390 -10.848  -1.550
  242   1HG2  THR  31          1HG2      THR  31   1.670  -8.798   0.147
  243   2HG2  THR  31          2HG2      THR  31   2.265  -9.401   1.694
  244   3HG2  THR  31          3HG2      THR  31   0.530  -9.293   1.399
  245    H    LYS  32           H        LYS  32   1.415 -13.408   0.326
  246    HA   LYS  32           HA       LYS  32   3.001 -15.099  -1.500
  247   1HB   LYS  32          2HB       LYS  32   0.438 -15.695   0.016
  248   2HB   LYS  32          1HB       LYS  32   1.413 -16.875  -0.859
  249   1HG   LYS  32          2HG       LYS  32   2.367 -17.192   1.204
  250   2HG   LYS  32          1HG       LYS  32   3.332 -15.795   0.727
  251   1HD   LYS  32          2HD       LYS  32   1.633 -14.315   1.830
  252   2HD   LYS  32          1HD       LYS  32   0.809 -15.763   2.410
  253   1HE   LYS  32          2HE       LYS  32   3.060 -16.444   3.434
  254   2HE   LYS  32          1HE       LYS  32   3.582 -14.789   3.116
  255   1HZ   LYS  32          1HZ       LYS  32   2.727 -14.546   5.193
  256   2HZ   LYS  32          2HZ       LYS  32   1.574 -15.779   5.000
  257   3HZ   LYS  32          3HZ       LYS  32   1.319 -14.254   4.296
  258    H    ASP  33           H        ASP  33  -0.005 -13.298  -1.463
  259    HA   ASP  33           HA       ASP  33  -0.198 -13.359  -4.339
  260   1HB   ASP  33          2HB       ASP  33  -1.242 -15.631  -3.104
  261   2HB   ASP  33          1HB       ASP  33  -2.661 -14.617  -3.353
  262    H    CYS  34           H        CYS  34  -0.355 -11.594  -1.884
  263    HA   CYS  34           HA       CYS  34  -3.089 -10.469  -2.180
  264   1HB   CYS  34          2HB       CYS  34  -1.729 -10.884   0.074
  265   2HB   CYS  34          1HB       CYS  34  -1.060  -9.300  -0.317
  266    H    GLU  35           H        GLU  35   0.242  -9.192  -2.018
  267    HA   GLU  35           HA       GLU  35  -0.203  -7.569  -4.412
  268   1HB   GLU  35          2HB       GLU  35  -1.274  -6.037  -2.966
  269   2HB   GLU  35          1HB       GLU  35  -0.151  -6.356  -1.647
  270   1HG   GLU  35          2HG       GLU  35   1.610  -5.156  -2.723
  271   2HG   GLU  35          1HG       GLU  35   0.740  -5.111  -4.256
  272    H    GLU  36           H        GLU  36   1.805  -6.368  -4.988
  273    HA   GLU  36           HA       GLU  36   4.245  -7.372  -3.584
  274   1HB   GLU  36          2HB       GLU  36   4.063  -8.812  -5.492
  275   2HB   GLU  36          1HB       GLU  36   3.632  -7.469  -6.549
  276   1HG   GLU  36          2HG       GLU  36   5.829  -6.569  -6.483
  277   2HG   GLU  36          1HG       GLU  36   6.278  -7.558  -5.094
  278    H    CYS  37           H        CYS  37   4.812  -5.375  -2.714
  279    HA   CYS  37           HA       CYS  37   4.971  -3.060  -4.587
  280   1HB   CYS  37          2HB       CYS  37   4.648  -3.314  -1.620
  281   2HB   CYS  37          1HB       CYS  37   5.383  -1.852  -2.278
  282    H    THR  38           H        THR  38   6.915  -2.225  -5.137
  283    HA   THR  38           HA       THR  38   9.341  -3.181  -3.665
  284    HB   THR  38           HB       THR  38  10.515  -3.386  -5.753
  285    HG1  THR  38           1HG      THR  38   8.164  -2.479  -7.040
  286   1HG2  THR  38          1HG2      THR  38   9.329  -5.179  -6.793
  287   2HG2  THR  38          2HG2      THR  38   7.768  -4.521  -6.300
  288   3HG2  THR  38          3HG2      THR  38   8.856  -5.209  -5.094
  289    H    CYS  39           H        CYS  39  11.145  -1.636  -3.747
  290    HA   CYS  39           HA       CYS  39  10.183   1.178  -4.107
  291   1HB   CYS  39          2HB       CYS  39  11.754  -0.174  -2.039
  292   2HB   CYS  39          1HB       CYS  39  12.562   1.269  -2.647
  293    H    GLY  40           H        GLY  40  10.859   1.898  -6.074
  294   1HA   GLY  40          2HA       GLY  40  13.332   0.895  -7.289
  295   2HA   GLY  40          1HA       GLY  40  12.236   2.080  -7.998
  296    H    GLN  41           H        GLN  41  14.958   2.553  -8.128
  297    HA   GLN  41           HA       GLN  41  16.119   3.990  -5.995
  298   1HB   GLN  41          2HB       GLN  41  17.216   3.292  -8.193
  299   2HB   GLN  41          1HB       GLN  41  16.464   4.719  -8.908
  300   1HG   GLN  41          2HG       GLN  41  17.547   6.002  -6.912
  301   2HG   GLN  41          1HG       GLN  41  18.576   4.578  -6.765
  302   1HE2  GLN  41          1HE2      GLN  41  18.674   7.572  -8.065
  303   2HE2  GLN  41          2HE2      GLN  41  19.617   7.280  -9.446
  304    H    ASP  42           H        ASP  42  14.132   5.205  -8.688
  305    HA   ASP  42           HA       ASP  42  13.502   7.602  -7.006
  306   1HB   ASP  42          2HB       ASP  42  15.125   8.073  -8.913
  307   2HB   ASP  42          1HB       ASP  42  13.812   7.661 -10.017
  308    H    ALA  43           H        ALA  43  12.063   5.019  -7.531
  309    HA   ALA  43           HA       ALA  43   9.458   6.217  -8.108
  310   1HB   ALA  43          1HB       ALA  43  10.313   5.721 -10.390
  311   2HB   ALA  43          2HB       ALA  43   8.908   4.736  -9.983
  312   3HB   ALA  43          3HB       ALA  43  10.524   4.033  -9.925
  313    H    ILE  44           H        ILE  44   7.728   4.405  -7.991
  314    HA   ILE  44           HA       ILE  44   8.623   2.161  -6.237
  315    HB   ILE  44           HB       ILE  44   6.376   4.122  -5.679
  316   1HG1  ILE  44          2HG1      ILE  44   8.700   3.256  -3.936
  317   2HG1  ILE  44          1HG1      ILE  44   8.761   4.673  -4.985
  318   1HG2  ILE  44          1HG2      ILE  44   7.004   1.410  -4.497
  319   2HG2  ILE  44          2HG2      ILE  44   5.472   1.978  -5.160
  320   3HG2  ILE  44          3HG2      ILE  44   6.060   2.618  -3.626
  321   1HD1  ILE  44          1HD1      ILE  44   8.090   5.178  -2.604
  322   2HD1  ILE  44          2HD1      ILE  44   6.622   4.242  -2.884
  323   3HD1  ILE  44          3HD1      ILE  44   6.924   5.710  -3.814
  324    H    SER  45           H        SER  45   7.717   0.260  -6.883
  325    HA   SER  45           HA       SER  45   5.443   0.397  -8.827
  326   1HB   SER  45          2HB       SER  45   6.322  -1.463  -9.908
  327   2HB   SER  45          1HB       SER  45   7.803  -0.701  -9.339
  328    HG   SER  45           HG       SER  45   7.622  -2.971  -8.841
  329    H    CYS  46           H        CYS  46   3.561  -0.706  -8.341
  330    HA   CYS  46           HA       CYS  46   3.564  -2.617  -6.076
  331   1HB   CYS  46          2HB       CYS  46   2.089   0.005  -6.144
  332   2HB   CYS  46          1HB       CYS  46   1.422  -1.365  -5.257
  333    H    CYS  47           H        CYS  47   2.370  -4.338  -6.612
  334    HA   CYS  47           HA       CYS  47   0.283  -4.020  -8.741
  335   1HB   CYS  47          2HB       CYS  47   1.697  -6.602  -8.068
  336   2HB   CYS  47          1HB       CYS  47   0.811  -6.189  -9.535
  337    H    ASN  48           H        ASN  48  -1.692  -4.065  -7.779
  338    HA   ASN  48           HA       ASN  48  -2.073  -5.861  -5.413
  339   1HB   ASN  48          2HB       ASN  48  -3.951  -4.432  -4.813
  340   2HB   ASN  48          1HB       ASN  48  -2.526  -3.426  -5.075
  341   1HD2  ASN  48          1HD2      ASN  48  -5.775  -4.008  -6.120
  342   2HD2  ASN  48          2HD2      ASN  48  -5.779  -2.917  -7.420
  343    H    THR  49           H        THR  49  -3.536  -7.508  -5.554
  344    HA   THR  49           HA       THR  49  -5.384  -7.571  -7.902
  345    HB   THR  49           HB       THR  49  -4.755  -9.749  -8.508
  346    HG1  THR  49           1HG      THR  49  -3.357 -10.968  -7.043
  347   1HG2  THR  49          1HG2      THR  49  -2.943  -8.003  -8.880
  348   2HG2  THR  49          2HG2      THR  49  -2.389  -9.677  -8.871
  349   3HG2  THR  49          3HG2      THR  49  -2.139  -8.658  -7.453
  350    H    ALA  50           H        ALA  50  -5.227  -7.414  -4.683
  351    HA   ALA  50           HA       ALA  50  -7.130  -9.562  -4.020
  352   1HB   ALA  50          1HB       ALA  50  -6.014  -7.278  -2.362
  353   2HB   ALA  50          2HB       ALA  50  -5.434  -8.944  -2.364
  354   3HB   ALA  50          3HB       ALA  50  -7.040  -8.570  -1.737
  355    H    ALA  51           H        ALA  51  -9.163  -8.844  -2.752
  356    HA   ALA  51           HA       ALA  51 -10.944  -7.459  -4.386
  357   1HB   ALA  51          1HB       ALA  51 -10.977  -7.539  -1.353
  358   2HB   ALA  51          2HB       ALA  51 -11.645  -8.777  -2.416
  359   3HB   ALA  51          3HB       ALA  51 -12.357  -7.164  -2.385
  360    H    ILE  52           H        ILE  52 -11.763  -5.284  -4.367
  361    HA   ILE  52           HA       ILE  52  -9.794  -3.297  -3.322
  362    HB   ILE  52           HB       ILE  52 -11.304  -3.569  -5.838
  363   1HG1  ILE  52          2HG1      ILE  52  -9.437  -2.118  -6.644
  364   2HG1  ILE  52          1HG1      ILE  52  -8.871  -1.974  -4.979
  365   1HG2  ILE  52          1HG2      ILE  52 -11.467  -1.059  -6.135
  366   2HG2  ILE  52          2HG2      ILE  52 -11.237  -0.906  -4.395
  367   3HG2  ILE  52          3HG2      ILE  52 -12.650  -1.752  -5.027
  368   1HD1  ILE  52          1HD1      ILE  52  -8.332  -4.278  -4.843
  369   2HD1  ILE  52          2HD1      ILE  52  -7.775  -3.796  -6.445
  370   3HD1  ILE  52          3HD1      ILE  52  -9.294  -4.673  -6.267
  371    HA   PRO  53           HA       PRO  53 -12.916  -2.015  -0.409
  372   1HB   PRO  53          2HB       PRO  53 -12.134   0.751  -0.578
  373   2HB   PRO  53          1HB       PRO  53 -11.760  -0.418   0.692
  374   1HG   PRO  53          2HG       PRO  53 -10.006   0.640  -1.343
  375   2HG   PRO  53          1HG       PRO  53  -9.609  -0.440  -0.005
  376   1HD   PRO  53          2HD       PRO  53  -9.702  -1.112  -2.772
  377   2HD   PRO  53          1HD       PRO  53  -9.501  -2.235  -1.407
  378    H    THR  54           H        THR  54 -15.047  -1.472  -0.713
  379    HA   THR  54           HA       THR  54 -15.729   0.408  -2.940
  380    HB   THR  54           HB       THR  54 -17.441  -1.015  -3.732
  381    HG1  THR  54           1HG      THR  54 -18.447  -1.698  -1.943
  382   1HG2  THR  54          1HG2      THR  54 -15.019  -1.814  -4.085
  383   2HG2  THR  54          2HG2      THR  54 -16.301  -2.992  -4.363
  384   3HG2  THR  54          3HG2      THR  54 -15.375  -3.035  -2.863
  385    H    GLY  55           H        GLY  55 -18.355   0.735  -2.631
  386   1HA   GLY  55          2HA       GLY  55 -19.953   1.824  -1.301
  387   2HA   GLY  55          1HA       GLY  55 -19.418   0.762   0.002
  388    H    TYR  56           H        TYR  56 -16.730   2.345  -1.085
  389    HA   TYR  56           HA       TYR  56 -16.854   4.256   1.183
  390   1HB   TYR  56          2HB       TYR  56 -14.821   3.138   1.322
  391   2HB   TYR  56          1HB       TYR  56 -14.674   2.975  -0.426
  392    HD1  TYR  56           1HD      TYR  56 -12.976   4.232  -1.401
  393    HD2  TYR  56           2HD      TYR  56 -14.995   5.777   2.063
  394    HE1  TYR  56           1HE      TYR  56 -11.544   6.254  -1.469
  395    HE2  TYR  56           2HE      TYR  56 -13.561   7.800   1.994
  396    HH   TYR  56           HH       TYR  56 -10.811   8.031  -0.141
  397    H    ASP  57           H        ASP  57 -17.163   6.404   0.822
  398    HA   ASP  57           HA       ASP  57 -17.436   7.358  -1.943
  399   1HB   ASP  57          2HB       ASP  57 -17.648   8.981   0.604
  400   2HB   ASP  57          1HB       ASP  57 -18.338   9.361  -0.974
  401    H    THR  58           H        THR  58 -15.665   8.056  -3.032
  402    HA   THR  58           HA       THR  58 -13.141   8.590  -1.790
  403    HB   THR  58           HB       THR  58 -12.400   9.287  -3.969
  404    HG1  THR  58           1HG      THR  58 -14.624  10.493  -4.115
  405   1HG2  THR  58          1HG2      THR  58 -13.231   7.453  -5.381
  406   2HG2  THR  58          2HG2      THR  58 -14.592   7.217  -4.285
  407   3HG2  THR  58          3HG2      THR  58 -12.949   6.889  -3.734
  408    H    ASN  59           H        ASN  59 -14.123  10.096  -0.094
  409    HA   ASN  59           HA       ASN  59 -14.747  12.815  -1.045
  410   1HB   ASN  59          2HB       ASN  59 -14.680  11.463   1.651
  411   2HB   ASN  59          1HB       ASN  59 -14.768  13.222   1.532
  412   1HD2  ASN  59          1HD2      ASN  59 -16.259  11.447  -1.067
  413   2HD2  ASN  59          2HD2      ASN  59 -17.867  11.675  -0.573
  414    H    LYS  60           H        LYS  60 -12.255  11.302   1.044
  415    HA   LYS  60           HA       LYS  60 -10.147  12.905  -0.089
  416   1HB   LYS  60          2HB       LYS  60 -11.534  14.526   1.420
  417   2HB   LYS  60          1HB       LYS  60 -10.778  13.668   2.761
  418   1HG   LYS  60          2HG       LYS  60  -8.573  14.269   2.010
  419   2HG   LYS  60          1HG       LYS  60  -9.201  14.896   0.485
  420   1HD   LYS  60          2HD       LYS  60 -10.467  16.627   1.743
  421   2HD   LYS  60          1HD       LYS  60  -9.752  16.032   3.241
  422   1HE   LYS  60          2HE       LYS  60  -8.011  16.864   0.924
  423   2HE   LYS  60          1HE       LYS  60  -8.619  18.053   2.074
  424   1HZ   LYS  60          1HZ       LYS  60  -7.039  15.633   2.754
  425   2HZ   LYS  60          2HZ       LYS  60  -7.637  16.766   3.869
  426   3HZ   LYS  60          3HZ       LYS  60  -6.455  17.225   2.738
  427    H    CYS  61           H        CYS  61 -10.102  10.266   0.164
  428    HA   CYS  61           HA       CYS  61  -8.063   9.808   2.261
  429   1HB   CYS  61          2HB       CYS  61 -10.275   7.784   2.000
  430   2HB   CYS  61          1HB       CYS  61  -9.168   8.051   3.344
  431    H    GLN  62           H        GLN  62  -7.173   7.464   1.945
  432    HA   GLN  62           HA       GLN  62  -7.282   6.684  -0.939
  433   1HB   GLN  62          2HB       GLN  62  -5.270   8.090  -0.555
  434   2HB   GLN  62          1HB       GLN  62  -4.751   6.976   0.710
  435   1HG   GLN  62          2HG       GLN  62  -4.384   5.216  -0.823
  436   2HG   GLN  62          1HG       GLN  62  -5.341   5.998  -2.082
  437   1HE2  GLN  62          1HE2      GLN  62  -3.338   8.223  -0.397
  438   2HE2  GLN  62          2HE2      GLN  62  -2.089   8.315  -1.542
  439    H    LYS  63           H        LYS  63  -6.282   4.453  -1.240
  440    HA   LYS  63           HA       LYS  63  -6.955   2.743   1.120
  441   1HB   LYS  63          2HB       LYS  63  -7.221   0.934  -0.635
  442   2HB   LYS  63          1HB       LYS  63  -8.399   2.243  -0.740
  443   1HG   LYS  63          2HG       LYS  63  -7.022   3.334  -2.484
  444   2HG   LYS  63          1HG       LYS  63  -5.867   2.004  -2.393
  445   1HD   LYS  63          2HD       LYS  63  -7.544   0.417  -3.135
  446   2HD   LYS  63          1HD       LYS  63  -8.801   1.653  -3.065
  447   1HE   LYS  63          2HE       LYS  63  -6.352   1.923  -4.821
  448   2HE   LYS  63          1HE       LYS  63  -7.848   1.176  -5.384
  449   1HZ   LYS  63          1HZ       LYS  63  -8.747   3.440  -4.267
  450   2HZ   LYS  63          2HZ       LYS  63  -8.399   3.260  -5.920
  451   3HZ   LYS  63          3HZ       LYS  63  -7.252   3.957  -4.878
  452    H    ILE  64           H        ILE  64  -5.487   1.121   1.732
  453    HA   ILE  64           HA       ILE  64  -2.912   0.962   0.246
  454    HB   ILE  64           HB       ILE  64  -2.903   2.619   2.254
  455   1HG1  ILE  64          2HG1      ILE  64  -0.928   0.345   1.915
  456   2HG1  ILE  64          1HG1      ILE  64  -0.842   1.954   1.199
  457   1HG2  ILE  64          1HG2      ILE  64  -2.494   0.097   3.849
  458   2HG2  ILE  64          2HG2      ILE  64  -4.103   0.799   3.677
  459   3HG2  ILE  64          3HG2      ILE  64  -2.810   1.733   4.428
  460   1HD1  ILE  64          1HD1      ILE  64  -0.852   2.792   3.674
  461   2HD1  ILE  64          2HD1      ILE  64   0.640   2.124   3.012
  462   3HD1  ILE  64          3HD1      ILE  64  -0.380   1.137   4.060
  463    H    LEU  65           H        LEU  65  -1.956  -1.085   0.357
  464    HA   LEU  65           HA       LEU  65  -3.661  -3.222   1.459
  465   1HB   LEU  65          2HB       LEU  65  -2.136  -2.997  -0.831
  466   2HB   LEU  65          1HB       LEU  65  -1.088  -3.959   0.205
  467    HG   LEU  65           HG       LEU  65  -2.569  -5.365  -1.178
  468   1HD1  LEU  65          1HD1      LEU  65  -2.907  -5.384   1.814
  469   2HD1  LEU  65          2HD1      LEU  65  -1.918  -6.438   0.808
  470   3HD1  LEU  65          3HD1      LEU  65  -3.672  -6.609   0.807
  471   1HD2  LEU  65          1HD2      LEU  65  -4.823  -5.093  -1.329
  472   2HD2  LEU  65          2HD2      LEU  65  -4.484  -3.459  -0.760
  473   3HD2  LEU  65          3HD2      LEU  65  -4.998  -4.704   0.381
  474    H    ASN  66           H        ASN  66  -3.318  -3.790   3.560
  475    HA   ASN  66           HA       ASN  66  -0.762  -3.229   4.876
  476   1HB   ASN  66          2HB       ASN  66  -3.139  -3.187   5.934
  477   2HB   ASN  66          1HB       ASN  66  -2.969  -4.939   6.027
  478   1HD2  ASN  66          1HD2      ASN  66   0.143  -3.889   6.268
  479   2HD2  ASN  66          2HD2      ASN  66   0.274  -3.727   7.951
  480    H    LYS  67           H        LYS  67   0.679  -4.562   3.630
  481    HA   LYS  67           HA       LYS  67   0.333  -7.292   3.045
  482   1HB   LYS  67          2HB       LYS  67   2.864  -7.390   3.046
  483   2HB   LYS  67          1HB       LYS  67   2.171  -6.114   2.049
  484   1HG   LYS  67          2HG       LYS  67   3.733  -4.846   3.174
  485   2HG   LYS  67          1HG       LYS  67   2.421  -4.725   4.340
  486   1HD   LYS  67          2HD       LYS  67   3.363  -6.455   5.713
  487   2HD   LYS  67          1HD       LYS  67   4.531  -6.894   4.466
  488   1HE   LYS  67          2HE       LYS  67   5.787  -4.920   4.781
  489   2HE   LYS  67          1HE       LYS  67   4.472  -4.116   5.637
  490   1HZ   LYS  67          1HZ       LYS  67   5.682  -4.752   7.413
  491   2HZ   LYS  67          2HZ       LYS  67   6.410  -6.058   6.608
  492   3HZ   LYS  67          3HZ       LYS  67   4.829  -6.204   7.212
  493    H    LYS  68           H        LYS  68   0.716  -5.839   6.123
  494    HA   LYS  68           HA       LYS  68   2.143  -7.808   7.555
  495   1HB   LYS  68          2HB       LYS  68  -0.073  -5.910   8.284
  496   2HB   LYS  68          1HB       LYS  68   0.433  -7.128   9.454
  497   1HG   LYS  68          2HG       LYS  68   2.540  -5.475   8.097
  498   2HG   LYS  68          1HG       LYS  68   1.603  -4.749   9.403
  499   1HD   LYS  68          2HD       LYS  68   2.319  -6.390  10.972
  500   2HD   LYS  68          1HD       LYS  68   2.942  -7.444   9.702
  501   1HE   LYS  68          2HE       LYS  68   4.813  -6.313  10.774
  502   2HE   LYS  68          1HE       LYS  68   4.631  -5.688   9.135
  503   1HZ   LYS  68          1HZ       LYS  68   3.641  -3.738   9.913
  504   2HZ   LYS  68          2HZ       LYS  68   4.931  -4.006  10.986
  505   3HZ   LYS  68          3HZ       LYS  68   3.341  -4.382  11.453
  506    H    THR  69           H        THR  69  -1.349  -7.626   6.870
  507    HA   THR  69           HA       THR  69  -1.473 -10.597   7.209
  508    HB   THR  69           HB       THR  69  -3.832 -10.189   8.106
  509    HG1  THR  69           1HG      THR  69  -2.763  -7.605   8.552
  510   1HG2  THR  69          1HG2      THR  69  -2.111 -10.899   9.624
  511   2HG2  THR  69          2HG2      THR  69  -2.958  -9.559  10.398
  512   3HG2  THR  69          3HG2      THR  69  -1.386  -9.290   9.644
  513    H    CYS  70           H        CYS  70  -1.296  -8.680   4.856
  514    HA   CYS  70           HA       CYS  70  -2.313  -8.410   2.754
  515   1HB   CYS  70          2HB       CYS  70  -1.977 -10.753   2.480
  516   2HB   CYS  70          1HB       CYS  70  -3.263 -11.148   3.621
  517    H    THR  71           H        THR  71  -3.598  -6.623   3.775
  518    HA   THR  71           HA       THR  71  -6.498  -7.227   3.525
  519    HB   THR  71           HB       THR  71  -7.093  -6.309   5.621
  520    HG1  THR  71           1HG      THR  71  -5.253  -4.670   5.255
  521   1HG2  THR  71          1HG2      THR  71  -5.879  -7.642   7.237
  522   2HG2  THR  71          2HG2      THR  71  -4.491  -7.761   6.157
  523   3HG2  THR  71          3HG2      THR  71  -6.003  -8.568   5.742
  524    H    TYR  72           H        TYR  72  -7.781  -5.151   3.445
  525    HA   TYR  72           HA       TYR  72  -6.182  -3.020   2.076
  526   1HB   TYR  72          2HB       TYR  72  -8.652  -4.385   1.423
  527   2HB   TYR  72          1HB       TYR  72  -8.956  -2.657   1.584
  528    HD1  TYR  72           1HD      TYR  72  -7.994  -5.151  -0.675
  529    HD2  TYR  72           2HD      TYR  72  -7.014  -1.133   0.486
  530    HE1  TYR  72           1HE      TYR  72  -6.981  -4.755  -2.904
  531    HE2  TYR  72           2HE      TYR  72  -6.000  -0.739  -1.743
  532    HH   TYR  72           HH       TYR  72  -6.378  -1.826  -4.153
  533    H    THR  73           H        THR  73  -5.857  -1.286   3.399
  534    HA   THR  73           HA       THR  73  -8.033  -0.579   5.339
  535    HB   THR  73           HB       THR  73  -6.462  -0.144   6.934
  536    HG1  THR  73           1HG      THR  73  -5.131   1.401   6.520
  537   1HG2  THR  73          1HG2      THR  73  -5.825  -2.388   5.923
  538   2HG2  THR  73          2HG2      THR  73  -4.546  -1.571   6.822
  539   3HG2  THR  73          3HG2      THR  73  -4.543  -1.538   5.060
  540    H    VAL  74           H        VAL  74  -8.351   1.754   5.677
  541    HA   VAL  74           HA       VAL  74  -7.576   3.364   3.270
  542    HB   VAL  74           HB       VAL  74 -10.065   3.889   4.886
  543   1HG1  VAL  74          1HG1      VAL  74 -10.800   4.970   2.870
  544   2HG1  VAL  74          2HG1      VAL  74  -9.481   4.262   1.937
  545   3HG1  VAL  74          3HG1      VAL  74  -9.140   5.498   3.147
  546   1HG2  VAL  74          1HG2      VAL  74  -9.717   1.890   2.629
  547   2HG2  VAL  74          2HG2      VAL  74 -11.281   2.482   3.191
  548   3HG2  VAL  74          3HG2      VAL  74 -10.253   1.546   4.275
  549    H    VAL  75           H        VAL  75  -6.263   5.023   3.795
  550    HA   VAL  75           HA       VAL  75  -6.352   6.088   6.593
  551    HB   VAL  75           HB       VAL  75  -4.047   7.000   5.967
  552   1HG1  VAL  75          1HG1      VAL  75  -4.445   4.947   7.349
  553   2HG1  VAL  75          2HG1      VAL  75  -2.951   4.875   6.415
  554   3HG1  VAL  75          3HG1      VAL  75  -4.374   3.987   5.872
  555   1HG2  VAL  75          1HG2      VAL  75  -4.409   6.758   3.497
  556   2HG2  VAL  75          2HG2      VAL  75  -4.363   5.007   3.701
  557   3HG2  VAL  75          3HG2      VAL  75  -2.932   5.974   4.058
  558    H    GLU  76           H        GLU  76  -5.790   8.503   6.683
  559    HA   GLU  76           HA       GLU  76  -7.245   9.898   4.469
  560   1HB   GLU  76          2HB       GLU  76  -8.097   9.971   6.913
  561   2HB   GLU  76          1HB       GLU  76  -6.728  11.042   7.212
  562   1HG   GLU  76          2HG       GLU  76  -7.511  12.563   5.446
  563   2HG   GLU  76          1HG       GLU  76  -8.868  11.487   5.109
  564    H    LYS  77           H        LYS  77  -6.262  11.623   3.441
  565    HA   LYS  77           HA       LYS  77  -3.391  11.784   3.525
  566   1HB   LYS  77          2HB       LYS  77  -5.434  13.651   2.284
  567   2HB   LYS  77          1HB       LYS  77  -3.700  13.711   1.976
  568   1HG   LYS  77          2HG       LYS  77  -5.134  11.104   1.589
  569   2HG   LYS  77          1HG       LYS  77  -5.313  12.353   0.359
  570   1HD   LYS  77          2HD       LYS  77  -2.628  11.386   1.385
  571   2HD   LYS  77          1HD       LYS  77  -3.408  10.746  -0.059
  572   1HE   LYS  77          2HE       LYS  77  -3.556  13.397  -0.612
  573   2HE   LYS  77          1HE       LYS  77  -2.090  13.377   0.368
  574   1HZ   LYS  77          1HZ       LYS  77  -1.276  11.556  -1.071
  575   2HZ   LYS  77          2HZ       LYS  77  -1.497  13.024  -1.897
  576   3HZ   LYS  77          3HZ       LYS  77  -2.631  11.770  -2.066
  577    H    LYS  78           H        LYS  78  -5.788  13.155   5.509
  578    HA   LYS  78           HA       LYS  78  -3.852  15.242   6.453
  579   1HB   LYS  78          2HB       LYS  78  -6.155  15.935   5.400
  580   2HB   LYS  78          1HB       LYS  78  -6.815  15.416   6.950
  581   1HG   LYS  78          2HG       LYS  78  -6.371  17.720   7.259
  582   2HG   LYS  78          1HG       LYS  78  -5.003  16.909   8.020
  583   1HD   LYS  78          2HD       LYS  78  -4.255  17.210   5.315
  584   2HD   LYS  78          1HD       LYS  78  -5.018  18.738   5.754
  585   1HE   LYS  78          2HE       LYS  78  -2.686  17.385   7.133
  586   2HE   LYS  78          1HE       LYS  78  -2.686  18.940   6.301
  587   1HZ   LYS  78          1HZ       LYS  78  -4.030  18.239   8.846
  588   2HZ   LYS  78          2HZ       LYS  78  -4.396  19.652   7.976
  589   3HZ   LYS  78          3HZ       LYS  78  -2.829  19.409   8.588
  590    H    ASP  79           H        ASP  79  -5.134  12.291   7.227
  591    HA   ASP  79           HA       ASP  79  -4.431  12.657  10.062
  592   1HB   ASP  79          2HB       ASP  79  -6.932  13.219   9.725
  593   2HB   ASP  79          1HB       ASP  79  -7.144  11.495   9.426
  594    HA   PRO  80           HA       PRO  80  -3.424   8.544   8.059
  595   1HB   PRO  80          2HB       PRO  80  -0.822   8.769   9.276
  596   2HB   PRO  80          1HB       PRO  80  -1.234   8.811   7.560
  597   1HG   PRO  80          2HG       PRO  80  -0.339  10.981   9.172
  598   2HG   PRO  80          1HG       PRO  80  -0.862  11.042   7.486
  599   1HD   PRO  80          2HD       PRO  80  -2.258  12.011   9.853
  600   2HD   PRO  80          1HD       PRO  80  -2.702  12.221   8.142
  601    H    GLY  81           H        GLY  81  -3.549   9.857  11.212
  602   1HA   GLY  81          2HA       GLY  81  -2.947   7.284  12.551
  603   2HA   GLY  81          1HA       GLY  81  -3.301   8.813  13.359
  604    H    LYS  82           H        LYS  82  -5.513   8.447  10.909
  605    HA   LYS  82           HA       LYS  82  -7.422   6.859  12.555
  606   1HB   LYS  82          2HB       LYS  82  -7.799   9.697  11.583
  607   2HB   LYS  82          1HB       LYS  82  -9.165   8.657  11.984
  608   1HG   LYS  82          2HG       LYS  82  -8.147   8.292  14.248
  609   2HG   LYS  82          1HG       LYS  82  -6.909   9.479  13.834
  610   1HD   LYS  82          2HD       LYS  82  -8.739  11.143  13.401
  611   2HD   LYS  82          1HD       LYS  82  -9.896   9.959  14.009
  612   1HE   LYS  82          2HE       LYS  82  -7.507  10.907  15.607
  613   2HE   LYS  82          1HE       LYS  82  -9.104  11.645  15.728
  614   1HZ   LYS  82          1HZ       LYS  82  -9.207   8.796  15.913
  615   2HZ   LYS  82          2HZ       LYS  82  -9.840   9.972  16.963
  616   3HZ   LYS  82          3HZ       LYS  82  -8.225   9.470  17.120
  617    H    THR  83           H        THR  83  -8.655   5.526  11.288
  618    HA   THR  83           HA       THR  83  -8.137   5.458   8.423
  619    HB   THR  83           HB       THR  83  -9.852   3.592   8.482
  620    HG1  THR  83           1HG      THR  83  -9.927   3.136  11.030
  621   1HG2  THR  83          1HG2      THR  83  -8.398   2.073   9.779
  622   2HG2  THR  83          2HG2      THR  83  -7.584   3.467  10.489
  623   3HG2  THR  83          3HG2      THR  83  -7.449   3.152   8.758
  624    H    CYS  84           H        CYS  84  -9.820   5.661   6.775
  625    HA   CYS  84           HA       CYS  84 -11.710   7.835   7.428
  626   1HB   CYS  84          2HB       CYS  84 -10.364   6.827   5.029
  627   2HB   CYS  84          1HB       CYS  84 -12.070   7.166   4.744
  628    H    ASP  85           H        ASP  85 -13.821   7.397   5.770
  629    HA   ASP  85           HA       ASP  85 -15.365   5.436   7.211
  630   1HB   ASP  85          2HB       ASP  85 -16.226   7.554   6.057
  631   2HB   ASP  85          1HB       ASP  85 -16.109   6.653   4.545
  632    H    VAL  86           H        VAL  86 -15.826   3.328   6.683
  633    HA   VAL  86           HA       VAL  86 -14.861   2.306   4.041
  634    HB   VAL  86           HB       VAL  86 -14.676   0.693   6.585
  635   1HG1  VAL  86          1HG1      VAL  86 -13.296   0.585   3.886
  636   2HG1  VAL  86          2HG1      VAL  86 -14.509  -0.543   4.488
  637   3HG1  VAL  86          3HG1      VAL  86 -12.918  -0.474   5.243
  638   1HG2  VAL  86          1HG2      VAL  86 -12.234   1.365   6.579
  639   2HG2  VAL  86          2HG2      VAL  86 -13.345   2.653   7.042
  640   3HG2  VAL  86          3HG2      VAL  86 -12.653   2.625   5.420
  641    H    THR  87           H        THR  87 -15.906   0.120   3.551
  642    HA   THR  87           HA       THR  87 -18.560  -0.213   4.856
  643    HB   THR  87           HB       THR  87 -18.155   0.011   1.858
  644    HG1  THR  87           1HG      THR  87 -19.846   1.766   2.584
  645   1HG2  THR  87          1HG2      THR  87 -20.596  -0.503   3.575
  646   2HG2  THR  87          2HG2      THR  87 -19.896  -1.584   2.369
  647   3HG2  THR  87          3HG2      THR  87 -20.670  -0.082   1.863
  648    H    GLY  88           H        GLY  88 -16.129  -1.477   2.609
  649   1HA   GLY  88          2HA       GLY  88 -15.781  -3.986   3.643
  650   2HA   GLY  88          1HA       GLY  88 -17.261  -4.178   2.704
  651    H    TRP  89           H        TRP  89 -15.126  -5.665   1.911
  652    HA   TRP  89           HA       TRP  89 -13.972  -4.198  -0.429
  653   1HB   TRP  89          2HB       TRP  89 -12.985  -6.875   0.528
  654   2HB   TRP  89          1HB       TRP  89 -12.107  -5.609  -0.330
  655    HD1  TRP  89           HD       TRP  89 -12.997  -3.189   1.579
  656    HE1  TRP  89           1HE      TRP  89 -11.929  -2.998   3.916
  657    HE3  TRP  89           3HE      TRP  89 -11.400  -7.999   2.215
  658    HZ2  TRP  89           2HZ      TRP  89 -10.575  -4.663   5.805
  659    HZ3  TRP  89           3HZ      TRP  89 -10.224  -8.667   4.291
  660    HH2  TRP  89           HH       TRP  89  -9.810  -7.007   6.086
  661    H    VAL  90           H        VAL  90 -13.858  -5.449  -2.468
  662    HA   VAL  90           HA       VAL  90 -15.702  -7.764  -2.655
  663    HB   VAL  90           HB       VAL  90 -16.018  -5.309  -4.401
  664   1HG1  VAL  90          1HG1      VAL  90 -16.658  -7.332  -5.557
  665   2HG1  VAL  90          2HG1      VAL  90 -18.137  -6.520  -5.044
  666   3HG1  VAL  90          3HG1      VAL  90 -17.541  -7.916  -4.147
  667   1HG2  VAL  90          1HG2      VAL  90 -16.802  -4.753  -2.184
  668   2HG2  VAL  90          2HG2      VAL  90 -17.619  -6.309  -2.029
  669   3HG2  VAL  90          3HG2      VAL  90 -18.221  -5.108  -3.171
  670    H    LEU  91           H        LEU  91 -15.329  -9.031  -4.561
  671    HA   LEU  91           HA       LEU  91 -12.666  -9.234  -5.439
  672   1HB   LEU  91          2HB       LEU  91 -15.279 -10.132  -6.655
  673   2HB   LEU  91          1HB       LEU  91 -13.745 -10.443  -7.468
  674    HG   LEU  91           HG       LEU  91 -12.907 -11.601  -5.458
  675   1HD1  LEU  91          1HD1      LEU  91 -14.703 -12.150  -3.696
  676   2HD1  LEU  91          2HD1      LEU  91 -15.619 -10.810  -4.386
  677   3HD1  LEU  91          3HD1      LEU  91 -14.034 -10.518  -3.668
  678   1HD2  LEU  91          1HD2      LEU  91 -14.202 -13.596  -5.715
  679   2HD2  LEU  91          2HD2      LEU  91 -14.283 -12.770  -7.270
  680   3HD2  LEU  91          3HD2      LEU  91 -15.646 -12.684  -6.155
  Start of MODEL   19
    1   1H    GLN   1          1HT       GLN   1  -4.597  -4.629 -13.052
    2   2H    GLN   1          2HT       GLN   1  -3.851  -4.572 -11.526
    3   3H    GLN   1          3HT       GLN   1  -3.899  -6.030 -12.397
    4    HA   GLN   1           HA       GLN   1  -1.968  -5.559 -13.334
    5   1HB   GLN   1          2HB       GLN   1  -3.680  -3.305 -14.324
    6   2HB   GLN   1          1HB       GLN   1  -1.947  -3.237 -14.640
    7   1HG   GLN   1          2HG       GLN   1  -3.236  -4.354 -16.474
    8   2HG   GLN   1          1HG       GLN   1  -2.011  -5.398 -15.752
    9   1HE2  GLN   1          1HE2      GLN   1  -5.193  -5.425 -16.753
   10   2HE2  GLN   1          2HE2      GLN   1  -5.788  -6.659 -15.751
   11    H    CYS   2           H        CYS   2  -0.096  -4.934 -12.374
   12    HA   CYS   2           HA       CYS   2   0.020  -3.395 -10.022
   13   1HB   CYS   2          2HB       CYS   2   1.814  -4.935 -11.069
   14   2HB   CYS   2          1HB       CYS   2   2.312  -3.513 -11.985
   15    H    TYR   3           H        TYR   3   1.429  -1.295  -9.893
   16    HA   TYR   3           HA       TYR   3   0.924   0.547 -12.161
   17   1HB   TYR   3          2HB       TYR   3  -0.003   2.234 -10.460
   18   2HB   TYR   3          1HB       TYR   3  -1.079   0.918 -10.928
   19    HD1  TYR   3           1HD      TYR   3  -1.436  -1.016  -9.412
   20    HD2  TYR   3           2HD      TYR   3   0.903   2.386  -8.230
   21    HE1  TYR   3           1HE      TYR   3  -1.592  -1.733  -7.043
   22    HE2  TYR   3           2HE      TYR   3   0.747   1.670  -5.861
   23    HH   TYR   3           HH       TYR   3   0.341  -0.348  -4.575
   24    H    PHE   4           H        PHE   4   2.329   2.363 -12.138
   25    HA   PHE   4           HA       PHE   4   4.573   2.150 -10.166
   26   1HB   PHE   4          2HB       PHE   4   4.421   2.846 -13.072
   27   2HB   PHE   4          1HB       PHE   4   5.646   3.666 -12.103
   28    HD1  PHE   4           1HD      PHE   4   4.296   0.259 -12.878
   29    HD2  PHE   4           2HD      PHE   4   7.669   2.587 -11.590
   30    HE1  PHE   4           1HE      PHE   4   5.728  -1.763 -12.969
   31    HE2  PHE   4           2HE      PHE   4   9.101   0.564 -11.682
   32    HZ   PHE   4           HZ       PHE   4   8.130  -1.611 -12.371
   33    H    ILE   5           H        ILE   5   5.036   3.914  -8.906
   34    HA   ILE   5           HA       ILE   5   3.505   6.428  -9.443
   35    HB   ILE   5           HB       ILE   5   4.321   5.351  -6.737
   36   1HG1  ILE   5          2HG1      ILE   5   1.613   5.304  -8.108
   37   2HG1  ILE   5          1HG1      ILE   5   2.642   3.897  -7.843
   38   1HG2  ILE   5          1HG2      ILE   5   2.378   7.543  -7.521
   39   2HG2  ILE   5          2HG2      ILE   5   4.024   7.827  -6.955
   40   3HG2  ILE   5          3HG2      ILE   5   2.837   7.085  -5.881
   41   1HD1  ILE   5          1HD1      ILE   5   1.415   5.656  -5.700
   42   2HD1  ILE   5          2HD1      ILE   5   2.547   4.341  -5.385
   43   3HD1  ILE   5          3HD1      ILE   5   0.964   3.994  -6.078
   44    HA   PRO   6           HA       PRO   6   7.697   8.052  -9.749
   45   1HB   PRO   6          2HB       PRO   6   6.725  10.730  -9.322
   46   2HB   PRO   6          1HB       PRO   6   7.230   9.978 -10.838
   47   1HG   PRO   6          2HG       PRO   6   4.565  10.634  -9.993
   48   2HG   PRO   6          1HG       PRO   6   5.075   9.905 -11.518
   49   1HD   PRO   6          2HD       PRO   6   3.669   8.641  -9.350
   50   2HD   PRO   6          1HD       PRO   6   4.229   7.895 -10.869
   51    H    ASN   7           H        ASN   7   9.269   8.942  -8.297
   52    HA   ASN   7           HA       ASN   7   8.828   8.520  -5.525
   53   1HB   ASN   7          2HB       ASN   7  11.066   8.585  -6.702
   54   2HB   ASN   7          1HB       ASN   7  10.926  10.343  -6.727
   55   1HD2  ASN   7          1HD2      ASN   7  10.305   7.802  -4.226
   56   2HD2  ASN   7          2HD2      ASN   7  11.193   8.584  -3.009
   57    H    GLN   8           H        GLN   8   8.427   9.988  -3.820
   58    HA   GLN   8           HA       GLN   8   7.717  12.784  -4.608
   59   1HB   GLN   8          2HB       GLN   8   5.837  12.528  -2.839
   60   2HB   GLN   8          1HB       GLN   8   5.578  11.798  -4.423
   61   1HG   GLN   8          2HG       GLN   8   6.886  10.160  -2.274
   62   2HG   GLN   8          1HG       GLN   8   5.139  10.394  -2.222
   63   1HE2  GLN   8          1HE2      GLN   8   3.850   9.483  -3.978
   64   2HE2  GLN   8          2HE2      GLN   8   4.501   8.335  -5.046
   65    H    SER   9           H        SER   9   9.839  11.073  -2.951
   66    HA   SER   9           HA       SER   9  10.091  13.147  -0.841
   67   1HB   SER   9          2HB       SER   9   9.962  10.164  -0.360
   68   2HB   SER   9          1HB       SER   9  10.688  11.276   0.796
   69    HG   SER   9           HG       SER   9   8.077  10.768   0.273
   70    H    LEU  10           H        LEU  10  12.168  13.854  -0.799
   71    HA   LEU  10           HA       LEU  10  14.216  12.302  -2.273
   72   1HB   LEU  10          2HB       LEU  10  13.665  15.067  -1.928
   73   2HB   LEU  10          1HB       LEU  10  15.202  14.774  -1.119
   74    HG   LEU  10           HG       LEU  10  14.618  13.799  -3.927
   75   1HD1  LEU  10          1HD1      LEU  10  15.944  15.751  -4.686
   76   2HD1  LEU  10          2HD1      LEU  10  15.990  16.349  -3.028
   77   3HD1  LEU  10          3HD1      LEU  10  14.453  16.248  -3.886
   78   1HD2  LEU  10          1HD2      LEU  10  17.000  13.476  -4.046
   79   2HD2  LEU  10          2HD2      LEU  10  16.472  12.755  -2.526
   80   3HD2  LEU  10          3HD2      LEU  10  17.252  14.336  -2.527
   81    H    LYS  11           H        LYS  11  13.172  11.525   0.426
   82    HA   LYS  11           HA       LYS  11  14.815  12.084   2.580
   83   1HB   LYS  11          2HB       LYS  11  13.422   9.600   1.656
   84   2HB   LYS  11          1HB       LYS  11  14.540   9.460   3.010
   85   1HG   LYS  11          2HG       LYS  11  13.328  11.281   4.183
   86   2HG   LYS  11          1HG       LYS  11  12.187  11.367   2.840
   87   1HD   LYS  11          2HD       LYS  11  11.779   8.859   3.250
   88   2HD   LYS  11          1HD       LYS  11  12.610   9.098   4.788
   89   1HE   LYS  11          2HE       LYS  11  10.995  10.899   5.355
   90   2HE   LYS  11          1HE       LYS  11  10.139  10.583   3.847
   91   1HZ   LYS  11          1HZ       LYS  11   9.988   9.194   6.317
   92   2HZ   LYS  11          2HZ       LYS  11  10.431   8.133   5.066
   93   3HZ   LYS  11          3HZ       LYS  11   9.004   9.047   4.944
   94    HA   PRO  12           HA       PRO  12  18.981  10.971   1.656
   95   1HB   PRO  12          2HB       PRO  12  19.360   9.287   3.964
   96   2HB   PRO  12          1HB       PRO  12  19.891  10.954   3.723
   97   1HG   PRO  12          2HG       PRO  12  17.699   9.968   5.350
   98   2HG   PRO  12          1HG       PRO  12  18.354  11.605   5.254
   99   1HD   PRO  12          2HD       PRO  12  15.845  10.752   4.268
  100   2HD   PRO  12          1HD       PRO  12  16.645  12.300   3.903
  101    H    ASN  13           H        ASN  13  17.130   8.168   2.932
  102    HA   ASN  13           HA       ASN  13  17.868   6.621   0.567
  103   1HB   ASN  13          2HB       ASN  13  18.904   5.943   3.320
  104   2HB   ASN  13          1HB       ASN  13  18.762   4.730   2.048
  105   1HD2  ASN  13          1HD2      ASN  13  20.682   7.393   3.206
  106   2HD2  ASN  13          2HD2      ASN  13  21.816   7.391   1.944
  107    H    GLU  14           H        GLU  14  15.367   7.500   1.541
  108    HA   GLU  14           HA       GLU  14  14.081   4.864   2.049
  109   1HB   GLU  14          2HB       GLU  14  13.709   7.399   3.646
  110   2HB   GLU  14          1HB       GLU  14  12.465   6.151   3.591
  111   1HG   GLU  14          2HG       GLU  14  13.932   4.516   4.526
  112   2HG   GLU  14          1HG       GLU  14  15.338   5.559   4.310
  113    H    CYS  15           H        CYS  15  11.618   5.135   1.718
  114    HA   CYS  15           HA       CYS  15  11.023   7.210  -0.345
  115   1HB   CYS  15          2HB       CYS  15   9.769   5.365  -1.602
  116   2HB   CYS  15          1HB       CYS  15  11.529   5.300  -1.686
  117    H    GLN  16           H        GLN  16   9.394   8.335   0.602
  118    HA   GLN  16           HA       GLN  16   7.392   6.865   2.246
  119   1HB   GLN  16          2HB       GLN  16   8.599   8.987   3.063
  120   2HB   GLN  16          1HB       GLN  16   7.591   9.861   1.908
  121   1HG   GLN  16          2HG       GLN  16   5.596   8.647   3.010
  122   2HG   GLN  16          1HG       GLN  16   6.720   8.259   4.314
  123   1HE2  GLN  16          1HE2      GLN  16   8.114  10.418   4.920
  124   2HE2  GLN  16          2HE2      GLN  16   7.155  11.797   5.172
  125    H    ASP  17           H        ASP  17   5.240   6.774   1.647
  126    HA   ASP  17           HA       ASP  17   4.417   8.246  -0.819
  127   1HB   ASP  17          2HB       ASP  17   5.058   5.747  -1.181
  128   2HB   ASP  17          1HB       ASP  17   3.557   5.396  -0.323
  129    H    LEU  18           H        LEU  18   1.987   8.332  -0.989
  130    HA   LEU  18           HA       LEU  18   0.014   9.085   0.065
  131   1HB   LEU  18          2HB       LEU  18   0.401   6.689   1.864
  132   2HB   LEU  18          1HB       LEU  18  -1.108   7.371   1.260
  133    HG   LEU  18           HG       LEU  18   1.011   5.958  -0.385
  134   1HD1  LEU  18          1HD1      LEU  18  -0.368   4.417   0.899
  135   2HD1  LEU  18          2HD1      LEU  18  -0.867   4.354  -0.793
  136   3HD1  LEU  18          3HD1      LEU  18  -1.837   5.247   0.380
  137   1HD2  LEU  18          1HD2      LEU  18  -0.813   6.222  -2.186
  138   2HD2  LEU  18          2HD2      LEU  18   0.120   7.663  -1.786
  139   3HD2  LEU  18          3HD2      LEU  18  -1.507   7.457  -1.136
  140    H    LYS  19           H        LYS  19  -0.559   8.382   2.949
  141    HA   LYS  19           HA       LYS  19   1.272  10.404   4.183
  142   1HB   LYS  19          2HB       LYS  19  -1.408  10.679   3.840
  143   2HB   LYS  19          1HB       LYS  19  -1.384   9.898   5.417
  144   1HG   LYS  19          2HG       LYS  19  -1.145  12.054   6.161
  145   2HG   LYS  19          1HG       LYS  19   0.555  11.752   5.819
  146   1HD   LYS  19          2HD       LYS  19  -1.348  12.906   3.760
  147   2HD   LYS  19          1HD       LYS  19  -0.411  13.913   4.859
  148   1HE   LYS  19          2HE       LYS  19   0.651  11.994   2.770
  149   2HE   LYS  19          1HE       LYS  19   0.841  13.744   2.814
  150   1HZ   LYS  19          1HZ       LYS  19   2.718  13.395   3.910
  151   2HZ   LYS  19          2HZ       LYS  19   2.393  11.739   4.101
  152   3HZ   LYS  19          3HZ       LYS  19   1.796  12.860   5.229
  153    H    GLY  20           H        GLY  20   0.825   7.170   4.132
  154   1HA   GLY  20          2HA       GLY  20   1.829   6.921   6.917
  155   2HA   GLY  20          1HA       GLY  20   0.404   5.982   6.480
  156    H    VAL  21           H        VAL  21   3.023   6.585   4.198
  157    HA   VAL  21           HA       VAL  21   3.716   3.672   4.378
  158    HB   VAL  21           HB       VAL  21   3.941   5.494   1.971
  159   1HG1  VAL  21          1HG1      VAL  21   4.205   3.232   0.822
  160   2HG1  VAL  21          2HG1      VAL  21   4.422   2.544   2.431
  161   3HG1  VAL  21          3HG1      VAL  21   5.564   3.743   1.824
  162   1HG2  VAL  21          1HG2      VAL  21   1.986   3.225   2.403
  163   2HG2  VAL  21          2HG2      VAL  21   1.971   4.438   1.122
  164   3HG2  VAL  21          3HG2      VAL  21   1.581   4.900   2.778
  165    H    SER  22           H        SER  22   6.004   3.165   3.878
  166    HA   SER  22           HA       SER  22   8.059   5.078   3.583
  167   1HB   SER  22          2HB       SER  22   7.721   6.111   5.637
  168   2HB   SER  22          1HB       SER  22   7.124   4.638   6.395
  169    HG   SER  22           HG       SER  22   9.509   5.602   6.600
  170    H    HIS  23           H        HIS  23   9.650   3.794   2.795
  171    HA   HIS  23           HA       HIS  23  10.405   1.349   4.268
  172   1HB   HIS  23          2HB       HIS  23   9.392   1.368   1.418
  173   2HB   HIS  23          1HB       HIS  23  10.388   0.059   2.055
  174    HD1  HIS  23           1HD      HIS  23   6.989   0.750   1.524
  175    HD2  HIS  23           2HD      HIS  23   9.085  -0.745   4.802
  176    HE1  HIS  23           1HE      HIS  23   5.291  -0.443   2.977
  177    HA   PRO  24           HA       PRO  24  14.472   2.726   3.140
  178   1HB   PRO  24          2HB       PRO  24  15.457   0.082   2.561
  179   2HB   PRO  24          1HB       PRO  24  15.707   1.047   4.019
  180   1HG   PRO  24          2HG       PRO  24  14.007  -1.265   3.665
  181   2HG   PRO  24          1HG       PRO  24  14.361  -0.376   5.150
  182   1HD   PRO  24          2HD       PRO  24  11.895  -0.401   3.725
  183   2HD   PRO  24          1HD       PRO  24  12.327   0.652   5.094
  184    H    LEU  25           H        LEU  25  15.544   3.310   1.231
  185    HA   LEU  25           HA       LEU  25  14.259   2.652  -1.278
  186   1HB   LEU  25          2HB       LEU  25  16.451   4.443  -0.375
  187   2HB   LEU  25          1HB       LEU  25  16.553   3.901  -2.048
  188    HG   LEU  25           HG       LEU  25  13.958   4.983  -0.956
  189   1HD1  LEU  25          1HD1      LEU  25  15.783   6.647  -0.506
  190   2HD1  LEU  25          2HD1      LEU  25  14.592   7.219  -1.672
  191   3HD1  LEU  25          3HD1      LEU  25  16.161   6.636  -2.228
  192   1HD2  LEU  25          1HD2      LEU  25  13.440   5.339  -3.247
  193   2HD2  LEU  25          2HD2      LEU  25  14.256   3.777  -3.229
  194   3HD2  LEU  25          3HD2      LEU  25  15.130   5.221  -3.733
  195    H    ASN  26           H        ASN  26  15.842   2.018  -3.185
  196    HA   ASN  26           HA       ASN  26  16.941   0.158  -4.126
  197   1HB   ASN  26          2HB       ASN  26  18.780   1.657  -3.139
  198   2HB   ASN  26          1HB       ASN  26  18.850   0.501  -1.808
  199   1HD2  ASN  26          1HD2      ASN  26  17.978  -1.538  -4.121
  200   2HD2  ASN  26          2HD2      ASN  26  19.478  -1.951  -4.798
  201    H    SER  27           H        SER  27  14.914  -0.980  -2.989
  202    HA   SER  27           HA       SER  27  15.866  -3.511  -2.016
  203   1HB   SER  27          2HB       SER  27  14.783  -1.546   0.004
  204   2HB   SER  27          1HB       SER  27  14.648  -3.283   0.256
  205    HG   SER  27           HG       SER  27  16.604  -3.074   1.001
  206    H    VAL  28           H        VAL  28  14.104  -5.038  -1.812
  207    HA   VAL  28           HA       VAL  28  11.424  -3.977  -2.603
  208    HB   VAL  28           HB       VAL  28  12.064  -4.821  -4.660
  209   1HG1  VAL  28          1HG1      VAL  28  14.292  -5.531  -4.073
  210   2HG1  VAL  28          2HG1      VAL  28  13.501  -6.881  -4.885
  211   3HG1  VAL  28          3HG1      VAL  28  13.665  -6.883  -3.130
  212   1HG2  VAL  28          1HG2      VAL  28  11.228  -7.424  -3.365
  213   2HG2  VAL  28          2HG2      VAL  28  10.961  -6.913  -5.030
  214   3HG2  VAL  28          3HG2      VAL  28  10.089  -6.125  -3.718
  215    H    TRP  29           H        TRP  29   9.667  -5.445  -2.051
  216    HA   TRP  29           HA       TRP  29  10.293  -7.644  -0.181
  217   1HB   TRP  29          2HB       TRP  29   8.570  -6.577   1.459
  218   2HB   TRP  29          1HB       TRP  29  10.223  -5.960   1.460
  219    HD1  TRP  29           HD       TRP  29   6.669  -5.020   0.563
  220    HE1  TRP  29           1HE      TRP  29   6.584  -2.518  -0.054
  221    HE3  TRP  29           3HE      TRP  29  11.665  -3.975   0.420
  222    HZ2  TRP  29           2HZ      TRP  29   8.395  -0.361  -0.548
  223    HZ3  TRP  29           3HZ      TRP  29  12.456  -1.692  -0.126
  224    HH2  TRP  29           HH       TRP  29  10.830   0.115  -0.610
  225    H    LYS  30           H        LYS  30   8.947  -9.273  -0.717
  226    HA   LYS  30           HA       LYS  30   6.284  -8.587  -1.909
  227   1HB   LYS  30          2HB       LYS  30   8.171 -10.890  -2.444
  228   2HB   LYS  30          1HB       LYS  30   6.487 -10.892  -2.973
  229   1HG   LYS  30          2HG       LYS  30   6.816  -9.043  -4.413
  230   2HG   LYS  30          1HG       LYS  30   8.333  -8.598  -3.633
  231   1HD   LYS  30          2HD       LYS  30   8.690  -9.706  -5.832
  232   2HD   LYS  30          1HD       LYS  30   9.410 -10.609  -4.498
  233   1HE   LYS  30          2HE       LYS  30   7.654 -12.216  -4.500
  234   2HE   LYS  30          1HE       LYS  30   6.627 -11.204  -5.516
  235   1HZ   LYS  30          1HZ       LYS  30   8.480 -13.135  -6.316
  236   2HZ   LYS  30          2HZ       LYS  30   9.059 -11.626  -6.841
  237   3HZ   LYS  30          3HZ       LYS  30   7.507 -12.148  -7.295
  238    H    THR  31           H        THR  31   5.031  -8.706  -0.031
  239    HA   THR  31           HA       THR  31   5.370 -10.698   2.006
  240    HB   THR  31           HB       THR  31   3.312  -9.887   2.910
  241    HG1  THR  31           1HG      THR  31   2.463  -9.990   0.526
  242   1HG2  THR  31          1HG2      THR  31   5.246  -8.254   2.746
  243   2HG2  THR  31          2HG2      THR  31   3.657  -7.513   2.924
  244   3HG2  THR  31          3HG2      THR  31   4.436  -7.557   1.343
  245    H    LYS  32           H        LYS  32   5.477 -12.753   0.985
  246    HA   LYS  32           HA       LYS  32   4.641 -14.687  -0.065
  247   1HB   LYS  32          2HB       LYS  32   2.347 -13.584   1.546
  248   2HB   LYS  32          1HB       LYS  32   2.119 -15.033   0.568
  249   1HG   LYS  32          2HG       LYS  32   4.513 -14.889   2.374
  250   2HG   LYS  32          1HG       LYS  32   2.935 -15.218   3.089
  251   1HD   LYS  32          2HD       LYS  32   2.626 -17.172   1.735
  252   2HD   LYS  32          1HD       LYS  32   4.016 -16.771   0.726
  253   1HE   LYS  32          2HE       LYS  32   4.636 -18.519   2.322
  254   2HE   LYS  32          1HE       LYS  32   5.496 -17.029   2.709
  255   1HZ   LYS  32          1HZ       LYS  32   3.250 -18.297   4.116
  256   2HZ   LYS  32          2HZ       LYS  32   3.446 -16.612   4.215
  257   3HZ   LYS  32          3HZ       LYS  32   4.683 -17.647   4.748
  258    H    ASP  33           H        ASP  33   1.464 -13.314  -0.347
  259    HA   ASP  33           HA       ASP  33   1.904 -12.452  -3.136
  260   1HB   ASP  33          2HB       ASP  33   1.519 -14.885  -3.333
  261   2HB   ASP  33          1HB       ASP  33   0.015 -14.718  -2.426
  262    H    CYS  34           H        CYS  34   0.769 -11.650  -0.307
  263    HA   CYS  34           HA       CYS  34  -1.987 -10.902  -0.978
  264   1HB   CYS  34          2HB       CYS  34  -0.186 -10.384   1.394
  265   2HB   CYS  34          1HB       CYS  34  -1.772  -9.627   1.247
  266    H    GLU  35           H        GLU  35   1.189  -9.378  -0.894
  267    HA   GLU  35           HA       GLU  35   0.178  -7.174  -2.532
  268   1HB   GLU  35          2HB       GLU  35  -0.422  -6.350  -0.309
  269   2HB   GLU  35          1HB       GLU  35   1.210  -6.666   0.275
  270   1HG   GLU  35          2HG       GLU  35   2.143  -5.002  -1.194
  271   2HG   GLU  35          1HG       GLU  35   0.602  -4.801  -2.028
  272    H    GLU  36           H        GLU  36   1.920  -5.909  -3.422
  273    HA   GLU  36           HA       GLU  36   4.677  -6.921  -2.876
  274   1HB   GLU  36          2HB       GLU  36   3.831  -6.269  -5.691
  275   2HB   GLU  36          1HB       GLU  36   5.142  -7.310  -5.137
  276   1HG   GLU  36          2HG       GLU  36   2.176  -7.917  -4.938
  277   2HG   GLU  36          1HG       GLU  36   3.322  -8.675  -6.044
  278    H    CYS  37           H        CYS  37   6.194  -5.244  -2.821
  279    HA   CYS  37           HA       CYS  37   5.523  -2.659  -4.054
  280   1HB   CYS  37          2HB       CYS  37   5.360  -3.175  -1.136
  281   2HB   CYS  37          1HB       CYS  37   6.161  -1.680  -1.616
  282    H    THR  38           H        THR  38   7.337  -1.706  -4.787
  283    HA   THR  38           HA       THR  38   9.949  -2.367  -3.505
  284    HB   THR  38           HB       THR  38  10.928  -2.989  -5.517
  285    HG1  THR  38           1HG      THR  38  10.310  -1.104  -6.626
  286   1HG2  THR  38          1HG2      THR  38   8.091  -3.719  -6.226
  287   2HG2  THR  38          2HG2      THR  38   8.931  -4.486  -4.878
  288   3HG2  THR  38          3HG2      THR  38   9.565  -4.644  -6.516
  289    H    CYS  39           H        CYS  39  11.429  -0.624  -3.543
  290    HA   CYS  39           HA       CYS  39  10.284   1.971  -4.502
  291   1HB   CYS  39          2HB       CYS  39  12.105   1.247  -2.215
  292   2HB   CYS  39          1HB       CYS  39  12.106   2.886  -2.870
  293    H    GLY  40           H        GLY  40  11.151   2.466  -6.458
  294   1HA   GLY  40          2HA       GLY  40  13.860   1.560  -7.171
  295   2HA   GLY  40          1HA       GLY  40  12.742   2.422  -8.230
  296    H    GLN  41           H        GLN  41  15.579   3.027  -7.712
  297    HA   GLN  41           HA       GLN  41  15.778   5.306  -5.980
  298   1HB   GLN  41          2HB       GLN  41  17.701   3.882  -6.841
  299   2HB   GLN  41          1HB       GLN  41  17.525   4.725  -8.381
  300   1HG   GLN  41          2HG       GLN  41  18.032   6.845  -7.377
  301   2HG   GLN  41          1HG       GLN  41  17.917   6.173  -5.752
  302   1HE2  GLN  41          1HE2      GLN  41  20.120   6.575  -5.134
  303   2HE2  GLN  41          2HE2      GLN  41  21.435   5.805  -5.883
  304    H    ASP  42           H        ASP  42  14.157   4.928  -8.882
  305    HA   ASP  42           HA       ASP  42  14.264   7.880  -9.390
  306   1HB   ASP  42          2HB       ASP  42  15.427   6.420 -11.143
  307   2HB   ASP  42          1HB       ASP  42  13.824   5.796 -11.537
  308    H    ALA  43           H        ALA  43  12.365   5.027  -8.931
  309    HA   ALA  43           HA       ALA  43   9.933   6.647  -8.774
  310   1HB   ALA  43          1HB       ALA  43   8.686   5.519 -10.498
  311   2HB   ALA  43          2HB       ALA  43  10.009   4.393 -10.797
  312   3HB   ALA  43          3HB       ALA  43  10.182   6.092 -11.236
  313    H    ILE  44           H        ILE  44   7.999   4.995  -8.387
  314    HA   ILE  44           HA       ILE  44   9.032   2.794  -6.632
  315    HB   ILE  44           HB       ILE  44   6.617   4.590  -6.244
  316   1HG1  ILE  44          2HG1      ILE  44   9.092   4.191  -4.533
  317   2HG1  ILE  44          1HG1      ILE  44   8.885   5.525  -5.665
  318   1HG2  ILE  44          1HG2      ILE  44   6.003   2.392  -5.502
  319   2HG2  ILE  44          2HG2      ILE  44   6.454   3.295  -4.057
  320   3HG2  ILE  44          3HG2      ILE  44   7.581   2.135  -4.757
  321   1HD1  ILE  44          1HD1      ILE  44   7.851   5.250  -2.976
  322   2HD1  ILE  44          2HD1      ILE  44   6.524   5.485  -4.114
  323   3HD1  ILE  44          3HD1      ILE  44   7.834   6.662  -4.030
  324    H    SER  45           H        SER  45   7.604   0.912  -6.498
  325    HA   SER  45           HA       SER  45   5.510   0.726  -8.599
  326   1HB   SER  45          2HB       SER  45   6.470  -1.124  -9.687
  327   2HB   SER  45          1HB       SER  45   7.857  -0.079  -9.403
  328    HG   SER  45           HG       SER  45   7.061  -2.424  -8.063
  329    H    CYS  46           H        CYS  46   3.751  -0.257  -7.732
  330    HA   CYS  46           HA       CYS  46   4.159  -2.314  -5.619
  331   1HB   CYS  46          2HB       CYS  46   2.578   0.234  -5.383
  332   2HB   CYS  46          1HB       CYS  46   2.090  -1.196  -4.474
  333    H    CYS  47           H        CYS  47   2.766  -4.008  -5.791
  334    HA   CYS  47           HA       CYS  47   0.506  -3.746  -7.743
  335   1HB   CYS  47          2HB       CYS  47   1.916  -6.359  -7.281
  336   2HB   CYS  47          1HB       CYS  47   1.035  -5.804  -8.705
  337    H    ASN  48           H        ASN  48  -1.455  -4.490  -7.014
  338    HA   ASN  48           HA       ASN  48  -1.498  -5.746  -4.291
  339   1HB   ASN  48          2HB       ASN  48  -3.787  -4.816  -4.109
  340   2HB   ASN  48          1HB       ASN  48  -2.598  -3.545  -4.399
  341   1HD2  ASN  48          1HD2      ASN  48  -4.960  -2.643  -5.151
  342   2HD2  ASN  48          2HD2      ASN  48  -5.247  -2.789  -6.818
  343    H    THR  49           H        THR  49  -3.027  -7.474  -3.946
  344    HA   THR  49           HA       THR  49  -4.224  -8.661  -6.407
  345    HB   THR  49           HB       THR  49  -3.270 -10.797  -6.025
  346    HG1  THR  49           1HG      THR  49  -3.040  -9.808  -3.477
  347   1HG2  THR  49          1HG2      THR  49  -1.099  -8.812  -5.302
  348   2HG2  THR  49          2HG2      THR  49  -1.680  -9.105  -6.941
  349   3HG2  THR  49          3HG2      THR  49  -0.870 -10.394  -6.049
  350    H    ALA  50           H        ALA  50  -4.911  -7.401  -3.562
  351    HA   ALA  50           HA       ALA  50  -6.783  -9.560  -2.683
  352   1HB   ALA  50          1HB       ALA  50  -5.248  -8.564  -0.974
  353   2HB   ALA  50          2HB       ALA  50  -6.954  -8.336  -0.585
  354   3HB   ALA  50          3HB       ALA  50  -6.014  -7.000  -1.250
  355    H    ALA  51           H        ALA  51  -8.958  -8.649  -1.875
  356    HA   ALA  51           HA       ALA  51 -10.367  -7.451  -4.013
  357   1HB   ALA  51          1HB       ALA  51 -11.470  -8.707  -2.194
  358   2HB   ALA  51          2HB       ALA  51 -12.193  -7.110  -2.389
  359   3HB   ALA  51          3HB       ALA  51 -11.071  -7.414  -1.062
  360    H    ILE  52           H        ILE  52 -11.430  -5.284  -4.016
  361    HA   ILE  52           HA       ILE  52  -9.628  -3.215  -2.830
  362    HB   ILE  52           HB       ILE  52 -10.790  -3.587  -5.505
  363   1HG1  ILE  52          2HG1      ILE  52  -8.941  -1.963  -6.062
  364   2HG1  ILE  52          1HG1      ILE  52  -8.576  -1.875  -4.339
  365   1HG2  ILE  52          1HG2      ILE  52 -11.085  -1.105  -5.879
  366   2HG2  ILE  52          2HG2      ILE  52 -11.066  -0.900  -4.129
  367   3HG2  ILE  52          3HG2      ILE  52 -12.342  -1.849  -4.892
  368   1HD1  ILE  52          1HD1      ILE  52  -7.114  -3.527  -5.369
  369   2HD1  ILE  52          2HD1      ILE  52  -8.498  -4.358  -6.078
  370   3HD1  ILE  52          3HD1      ILE  52  -8.268  -4.361  -4.330
  371    HA   PRO  53           HA       PRO  53 -13.121  -1.991  -0.344
  372   1HB   PRO  53          2HB       PRO  53 -12.369   0.789  -0.421
  373   2HB   PRO  53          1HB       PRO  53 -12.136  -0.372   0.889
  374   1HG   PRO  53          2HG       PRO  53 -10.155   0.722  -0.898
  375   2HG   PRO  53          1HG       PRO  53  -9.915  -0.378   0.463
  376   1HD   PRO  53          2HD       PRO  53  -9.680  -0.996  -2.320
  377   2HD   PRO  53          1HD       PRO  53  -9.582  -2.130  -0.952
  378    H    THR  54           H        THR  54 -15.209  -1.430  -0.884
  379    HA   THR  54           HA       THR  54 -15.614   0.338  -3.271
  380    HB   THR  54           HB       THR  54 -17.425  -1.062  -4.005
  381    HG1  THR  54           1HG      THR  54 -17.942  -1.557  -1.687
  382   1HG2  THR  54          1HG2      THR  54 -14.980  -1.821  -4.361
  383   2HG2  THR  54          2HG2      THR  54 -16.251  -3.011  -4.637
  384   3HG2  THR  54          3HG2      THR  54 -15.325  -3.042  -3.137
  385    H    GLY  55           H        GLY  55 -18.126   0.974  -3.255
  386   1HA   GLY  55          2HA       GLY  55 -19.749   2.279  -2.171
  387   2HA   GLY  55          1HA       GLY  55 -19.553   1.165  -0.815
  388    H    TYR  56           H        TYR  56 -16.567   2.447  -1.508
  389    HA   TYR  56           HA       TYR  56 -16.768   4.301   0.794
  390   1HB   TYR  56          2HB       TYR  56 -14.819   3.157   1.167
  391   2HB   TYR  56          1HB       TYR  56 -14.620   2.753  -0.536
  392    HD1  TYR  56           1HD      TYR  56 -12.943   3.823  -1.760
  393    HD2  TYR  56           2HD      TYR  56 -14.506   5.719   1.762
  394    HE1  TYR  56           1HE      TYR  56 -11.271   5.637  -1.996
  395    HE2  TYR  56           2HE      TYR  56 -12.833   7.535   1.526
  396    HH   TYR  56           HH       TYR  56 -10.228   7.459   0.106
  397    H    ASP  57           H        ASP  57 -17.232   6.393   0.341
  398    HA   ASP  57           HA       ASP  57 -17.031   7.500  -2.318
  399   1HB   ASP  57          2HB       ASP  57 -17.553   9.666  -1.161
  400   2HB   ASP  57          1HB       ASP  57 -18.687   8.374  -0.769
  401    H    THR  58           H        THR  58 -15.298   8.480  -3.268
  402    HA   THR  58           HA       THR  58 -12.798   8.698  -1.707
  403    HB   THR  58           HB       THR  58 -12.353   7.761  -3.800
  404    HG1  THR  58           1HG      THR  58 -11.127   9.262  -4.783
  405   1HG2  THR  58          1HG2      THR  58 -14.379   9.735  -4.865
  406   2HG2  THR  58          2HG2      THR  58 -14.498   7.976  -4.836
  407   3HG2  THR  58          3HG2      THR  58 -13.348   8.764  -5.916
  408    H    ASN  59           H        ASN  59 -13.414  10.526  -0.379
  409    HA   ASN  59           HA       ASN  59 -13.882  13.094  -1.801
  410   1HB   ASN  59          2HB       ASN  59 -15.248  12.404   0.232
  411   2HB   ASN  59          1HB       ASN  59 -13.782  12.622   1.188
  412   1HD2  ASN  59          1HD2      ASN  59 -14.694  14.480   2.338
  413   2HD2  ASN  59          2HD2      ASN  59 -14.902  15.977   1.565
  414    H    LYS  60           H        LYS  60 -11.694  11.761   0.700
  415    HA   LYS  60           HA       LYS  60  -9.400  13.089  -0.484
  416   1HB   LYS  60          2HB       LYS  60 -10.681  14.922   0.814
  417   2HB   LYS  60          1HB       LYS  60 -10.160  14.072   2.269
  418   1HG   LYS  60          2HG       LYS  60  -7.787  14.204   1.339
  419   2HG   LYS  60          1HG       LYS  60  -8.420  15.333   0.140
  420   1HD   LYS  60          2HD       LYS  60  -9.366  16.665   2.113
  421   2HD   LYS  60          1HD       LYS  60  -8.350  15.658   3.144
  422   1HE   LYS  60          2HE       LYS  60  -7.532  17.679   1.081
  423   2HE   LYS  60          1HE       LYS  60  -6.929  17.461   2.723
  424   1HZ   LYS  60          1HZ       LYS  60  -5.235  16.502   1.602
  425   2HZ   LYS  60          2HZ       LYS  60  -6.196  16.069   0.268
  426   3HZ   LYS  60          3HZ       LYS  60  -6.241  15.139   1.690
  427    H    CYS  61           H        CYS  61  -9.840  10.429   0.084
  428    HA   CYS  61           HA       CYS  61  -7.899   9.951   2.306
  429   1HB   CYS  61          2HB       CYS  61 -10.446   8.396   1.760
  430   2HB   CYS  61          1HB       CYS  61  -9.206   7.916   2.913
  431    H    GLN  62           H        GLN  62  -7.058   7.576   2.094
  432    HA   GLN  62           HA       GLN  62  -6.781   6.892  -0.814
  433   1HB   GLN  62          2HB       GLN  62  -4.562   6.446   1.178
  434   2HB   GLN  62          1HB       GLN  62  -4.469   6.539  -0.580
  435   1HG   GLN  62          2HG       GLN  62  -3.727   8.662  -0.146
  436   2HG   GLN  62          1HG       GLN  62  -5.453   9.010  -0.050
  437   1HE2  GLN  62          1HE2      GLN  62  -6.430   8.970   2.192
  438   2HE2  GLN  62          2HE2      GLN  62  -5.444   9.333   3.524
  439    H    LYS  63           H        LYS  63  -5.823   4.581  -0.997
  440    HA   LYS  63           HA       LYS  63  -7.148   2.819   1.036
  441   1HB   LYS  63          2HB       LYS  63  -6.711   1.999  -1.831
  442   2HB   LYS  63          1HB       LYS  63  -7.879   1.376  -0.667
  443   1HG   LYS  63          2HG       LYS  63  -9.302   2.714  -1.895
  444   2HG   LYS  63          1HG       LYS  63  -8.732   3.919  -0.742
  445   1HD   LYS  63          2HD       LYS  63  -8.358   5.041  -2.744
  446   2HD   LYS  63          1HD       LYS  63  -6.797   4.249  -2.529
  447   1HE   LYS  63          2HE       LYS  63  -7.469   3.827  -4.793
  448   2HE   LYS  63          1HE       LYS  63  -7.715   2.320  -3.909
  449   1HZ   LYS  63          1HZ       LYS  63  -9.894   4.291  -4.166
  450   2HZ   LYS  63          2HZ       LYS  63  -9.993   2.622  -3.856
  451   3HZ   LYS  63          3HZ       LYS  63  -9.587   3.179  -5.409
  452    H    ILE  64           H        ILE  64  -5.790   1.365   1.997
  453    HA   ILE  64           HA       ILE  64  -3.185   0.785   0.644
  454    HB   ILE  64           HB       ILE  64  -3.149   2.448   2.657
  455   1HG1  ILE  64          2HG1      ILE  64  -1.029   1.352   3.505
  456   2HG1  ILE  64          1HG1      ILE  64  -1.420  -0.039   2.493
  457   1HG2  ILE  64          1HG2      ILE  64  -4.654   0.824   3.989
  458   2HG2  ILE  64          2HG2      ILE  64  -3.280   1.538   4.832
  459   3HG2  ILE  64          3HG2      ILE  64  -3.186  -0.121   4.240
  460   1HD1  ILE  64          1HD1      ILE  64  -0.671   1.003   0.636
  461   2HD1  ILE  64          2HD1      ILE  64  -0.005   2.240   1.699
  462   3HD1  ILE  64          3HD1      ILE  64  -1.603   2.457   0.988
  463    H    LEU  65           H        LEU  65  -2.314  -1.308   1.097
  464    HA   LEU  65           HA       LEU  65  -4.368  -3.256   2.044
  465   1HB   LEU  65          2HB       LEU  65  -3.295  -3.345  -0.327
  466   2HB   LEU  65          1HB       LEU  65  -1.875  -3.969   0.505
  467    HG   LEU  65           HG       LEU  65  -4.643  -5.161   0.821
  468   1HD1  LEU  65          1HD1      LEU  65  -3.537  -7.013  -0.644
  469   2HD1  LEU  65          2HD1      LEU  65  -2.442  -5.729  -1.157
  470   3HD1  LEU  65          3HD1      LEU  65  -4.174  -5.577  -1.442
  471   1HD2  LEU  65          1HD2      LEU  65  -3.066  -7.155   1.473
  472   2HD2  LEU  65          2HD2      LEU  65  -3.353  -5.874   2.648
  473   3HD2  LEU  65          3HD2      LEU  65  -1.858  -5.894   1.713
  474    H    ASN  66           H        ASN  66  -4.026  -3.871   4.124
  475    HA   ASN  66           HA       ASN  66  -1.383  -3.645   5.357
  476   1HB   ASN  66          2HB       ASN  66  -3.520  -3.213   6.603
  477   2HB   ASN  66          1HB       ASN  66  -3.897  -4.931   6.466
  478   1HD2  ASN  66          1HD2      ASN  66  -0.555  -4.662   6.695
  479   2HD2  ASN  66          2HD2      ASN  66  -0.387  -4.886   8.369
  480    H    LYS  67           H        LYS  67   0.138  -5.208   5.147
  481    HA   LYS  67           HA       LYS  67  -0.587  -7.845   4.105
  482   1HB   LYS  67          2HB       LYS  67   1.851  -8.275   4.201
  483   2HB   LYS  67          1HB       LYS  67   1.488  -6.763   3.371
  484   1HG   LYS  67          2HG       LYS  67   3.014  -5.844   4.792
  485   2HG   LYS  67          1HG       LYS  67   1.719  -5.917   5.985
  486   1HD   LYS  67          2HD       LYS  67   2.507  -8.114   6.743
  487   2HD   LYS  67          1HD       LYS  67   3.769  -8.103   5.510
  488   1HE   LYS  67          2HE       LYS  67   4.871  -6.230   6.535
  489   2HE   LYS  67          1HE       LYS  67   3.517  -5.960   7.632
  490   1HZ   LYS  67          1HZ       LYS  67   4.214  -8.564   8.048
  491   2HZ   LYS  67          2HZ       LYS  67   4.612  -7.249   9.050
  492   3HZ   LYS  67          3HZ       LYS  67   5.708  -7.780   7.866
  493    H    LYS  68           H        LYS  68  -0.399  -6.456   7.199
  494    HA   LYS  68           HA       LYS  68   0.669  -8.528   8.788
  495   1HB   LYS  68          2HB       LYS  68  -0.101  -6.259   9.601
  496   2HB   LYS  68          1HB       LYS  68  -1.758  -6.857   9.502
  497   1HG   LYS  68          2HG       LYS  68  -1.183  -8.693  11.059
  498   2HG   LYS  68          1HG       LYS  68   0.462  -8.066  11.177
  499   1HD   LYS  68          2HD       LYS  68  -0.378  -5.958  12.101
  500   2HD   LYS  68          1HD       LYS  68  -2.039  -6.526  11.928
  501   1HE   LYS  68          2HE       LYS  68   0.106  -7.707  13.714
  502   2HE   LYS  68          1HE       LYS  68  -1.360  -6.871  14.229
  503   1HZ   LYS  68          1HZ       LYS  68  -2.310  -8.809  12.608
  504   2HZ   LYS  68          2HZ       LYS  68  -2.238  -8.904  14.303
  505   3HZ   LYS  68          3HZ       LYS  68  -1.006  -9.591  13.357
  506    H    THR  69           H        THR  69  -2.681  -8.055   7.668
  507    HA   THR  69           HA       THR  69  -3.118 -10.994   8.036
  508    HB   THR  69           HB       THR  69  -5.530 -10.341   8.599
  509    HG1  THR  69           1HG      THR  69  -4.555  -7.926   9.527
  510   1HG2  THR  69          1HG2      THR  69  -3.222  -9.670  10.436
  511   2HG2  THR  69          2HG2      THR  69  -4.120 -11.186  10.344
  512   3HG2  THR  69          3HG2      THR  69  -4.897  -9.738  10.984
  513    H    CYS  70           H        CYS  70  -2.480  -9.134   5.697
  514    HA   CYS  70           HA       CYS  70  -3.200  -8.827   3.480
  515   1HB   CYS  70          2HB       CYS  70  -4.650 -11.420   4.107
  516   2HB   CYS  70          1HB       CYS  70  -4.338 -10.786   2.492
  517    H    THR  71           H        THR  71  -4.500  -6.957   4.363
  518    HA   THR  71           HA       THR  71  -7.367  -7.369   3.697
  519    HB   THR  71           HB       THR  71  -8.204  -6.547   5.715
  520    HG1  THR  71           1HG      THR  71  -6.451  -5.604   7.206
  521   1HG2  THR  71          1HG2      THR  71  -7.049  -8.750   6.024
  522   2HG2  THR  71          2HG2      THR  71  -7.135  -7.793   7.502
  523   3HG2  THR  71          3HG2      THR  71  -5.627  -7.876   6.593
  524    H    TYR  72           H        TYR  72  -8.480  -5.114   3.680
  525    HA   TYR  72           HA       TYR  72  -6.563  -3.120   2.529
  526   1HB   TYR  72          2HB       TYR  72  -8.964  -4.310   1.450
  527   2HB   TYR  72          1HB       TYR  72  -9.194  -2.571   1.611
  528    HD1  TYR  72           1HD      TYR  72  -7.426  -1.010   0.635
  529    HD2  TYR  72           2HD      TYR  72  -7.600  -5.205  -0.270
  530    HE1  TYR  72           1HE      TYR  72  -6.030  -0.634  -1.379
  531    HE2  TYR  72           2HE      TYR  72  -6.205  -4.828  -2.285
  532    HH   TYR  72           HH       TYR  72  -4.437  -2.070  -2.804
  533    H    THR  73           H        THR  73  -6.522  -1.159   3.515
  534    HA   THR  73           HA       THR  73  -8.827  -0.419   5.278
  535    HB   THR  73           HB       THR  73  -7.450   0.077   7.057
  536    HG1  THR  73           1HG      THR  73  -5.960   1.458   6.602
  537   1HG2  THR  73          1HG2      THR  73  -5.841  -1.647   7.370
  538   2HG2  THR  73          2HG2      THR  73  -5.526  -1.768   5.639
  539   3HG2  THR  73          3HG2      THR  73  -7.060  -2.335   6.297
  540    H    VAL  74           H        VAL  74  -9.030   1.937   5.576
  541    HA   VAL  74           HA       VAL  74  -7.903   3.461   3.250
  542    HB   VAL  74           HB       VAL  74 -10.429   4.289   4.650
  543   1HG1  VAL  74          1HG1      VAL  74  -9.639   4.312   1.725
  544   2HG1  VAL  74          2HG1      VAL  74  -9.292   5.636   2.836
  545   3HG1  VAL  74          3HG1      VAL  74 -10.962   5.198   2.481
  546   1HG2  VAL  74          1HG2      VAL  74 -10.120   1.991   2.705
  547   2HG2  VAL  74          2HG2      VAL  74 -11.649   2.842   2.927
  548   3HG2  VAL  74          3HG2      VAL  74 -10.916   1.978   4.278
  549    H    VAL  75           H        VAL  75  -6.590   5.117   3.819
  550    HA   VAL  75           HA       VAL  75  -6.703   6.106   6.643
  551    HB   VAL  75           HB       VAL  75  -4.351   6.953   6.081
  552   1HG1  VAL  75          1HG1      VAL  75  -4.840   3.961   5.951
  553   2HG1  VAL  75          2HG1      VAL  75  -4.814   4.917   7.433
  554   3HG1  VAL  75          3HG1      VAL  75  -3.349   4.749   6.466
  555   1HG2  VAL  75          1HG2      VAL  75  -4.689   5.006   3.777
  556   2HG2  VAL  75          2HG2      VAL  75  -3.240   5.930   4.173
  557   3HG2  VAL  75          3HG2      VAL  75  -4.685   6.761   3.597
  558    H    GLU  76           H        GLU  76  -6.056   8.488   6.831
  559    HA   GLU  76           HA       GLU  76  -7.388  10.023   4.633
  560   1HB   GLU  76          2HB       GLU  76  -6.909  11.089   7.409
  561   2HB   GLU  76          1HB       GLU  76  -8.141  11.562   6.238
  562   1HG   GLU  76          2HG       GLU  76  -9.145   9.261   6.485
  563   2HG   GLU  76          1HG       GLU  76  -8.015   8.973   7.806
  564    H    LYS  77           H        LYS  77  -6.308  11.743   3.705
  565    HA   LYS  77           HA       LYS  77  -3.457  11.777   3.764
  566   1HB   LYS  77          2HB       LYS  77  -5.506  13.755   2.754
  567   2HB   LYS  77          1HB       LYS  77  -3.774  14.034   2.586
  568   1HG   LYS  77          2HG       LYS  77  -4.911  11.402   1.696
  569   2HG   LYS  77          1HG       LYS  77  -5.120  12.812   0.661
  570   1HD   LYS  77          2HD       LYS  77  -2.390  12.229   1.769
  571   2HD   LYS  77          1HD       LYS  77  -2.977  11.279   0.405
  572   1HE   LYS  77          2HE       LYS  77  -2.988  14.308   0.443
  573   2HE   LYS  77          1HE       LYS  77  -1.672  13.351  -0.237
  574   1HZ   LYS  77          1HZ       LYS  77  -3.107  13.842  -2.011
  575   2HZ   LYS  77          2HZ       LYS  77  -4.497  13.449  -1.118
  576   3HZ   LYS  77          3HZ       LYS  77  -3.429  12.226  -1.615
  577    H    LYS  78           H        LYS  78  -5.754  13.196   5.906
  578    HA   LYS  78           HA       LYS  78  -3.582  14.910   7.064
  579   1HB   LYS  78          2HB       LYS  78  -5.859  15.897   6.047
  580   2HB   LYS  78          1HB       LYS  78  -6.450  15.502   7.659
  581   1HG   LYS  78          2HG       LYS  78  -5.658  17.683   7.961
  582   2HG   LYS  78          1HG       LYS  78  -4.273  16.719   8.472
  583   1HD   LYS  78          2HD       LYS  78  -3.234  18.201   7.014
  584   2HD   LYS  78          1HD       LYS  78  -3.614  16.885   5.907
  585   1HE   LYS  78          2HE       LYS  78  -5.866  18.165   5.548
  586   2HE   LYS  78          1HE       LYS  78  -4.992  19.540   6.221
  587   1HZ   LYS  78          1HZ       LYS  78  -3.535  19.592   4.473
  588   2HZ   LYS  78          2HZ       LYS  78  -4.948  19.081   3.681
  589   3HZ   LYS  78          3HZ       LYS  78  -3.745  17.953   4.089
  590    H    ASP  79           H        ASP  79  -4.966  12.038   7.575
  591    HA   ASP  79           HA       ASP  79  -4.479  12.191  10.468
  592   1HB   ASP  79          2HB       ASP  79  -6.989  12.780   9.837
  593   2HB   ASP  79          1HB       ASP  79  -7.135  11.029   9.699
  594    HA   PRO  80           HA       PRO  80  -3.395   8.208   8.240
  595   1HB   PRO  80          2HB       PRO  80  -0.877   8.304   9.635
  596   2HB   PRO  80          1HB       PRO  80  -1.173   8.470   7.902
  597   1HG   PRO  80          2HG       PRO  80  -0.364  10.509   9.722
  598   2HG   PRO  80          1HG       PRO  80  -0.758  10.691   8.010
  599   1HD   PRO  80          2HD       PRO  80  -2.309  11.541  10.322
  600   2HD   PRO  80          1HD       PRO  80  -2.633  11.851   8.598
  601    H    GLY  81           H        GLY  81  -3.722   9.300  11.459
  602   1HA   GLY  81          2HA       GLY  81  -3.246   6.622  12.642
  603   2HA   GLY  81          1HA       GLY  81  -3.604   8.099  13.539
  604    H    LYS  82           H        LYS  82  -5.769   8.353  11.210
  605    HA   LYS  82           HA       LYS  82  -7.805   6.640  12.593
  606   1HB   LYS  82          2HB       LYS  82  -8.000   9.469  11.540
  607   2HB   LYS  82          1HB       LYS  82  -9.427   8.489  11.872
  608   1HG   LYS  82          2HG       LYS  82  -8.667   8.175  14.204
  609   2HG   LYS  82          1HG       LYS  82  -7.251   9.176  13.871
  610   1HD   LYS  82          2HD       LYS  82  -8.578  11.123  13.530
  611   2HD   LYS  82          1HD       LYS  82 -10.067  10.181  13.426
  612   1HE   LYS  82          2HE       LYS  82  -9.758  11.355  15.633
  613   2HE   LYS  82          1HE       LYS  82  -9.942   9.608  15.774
  614   1HZ   LYS  82          1HZ       LYS  82  -8.030  10.813  17.016
  615   2HZ   LYS  82          2HZ       LYS  82  -7.252  10.760  15.506
  616   3HZ   LYS  82          3HZ       LYS  82  -7.736   9.320  16.266
  617    H    THR  83           H        THR  83  -9.303   5.591  11.241
  618    HA   THR  83           HA       THR  83  -8.441   5.280   8.451
  619    HB   THR  83           HB       THR  83  -9.897   3.414   8.373
  620    HG1  THR  83           1HG      THR  83 -11.293   3.500  10.579
  621   1HG2  THR  83          1HG2      THR  83  -9.103   3.648  11.287
  622   2HG2  THR  83          2HG2      THR  83  -8.002   3.180   9.991
  623   3HG2  THR  83          3HG2      THR  83  -9.385   2.159  10.386
  624    H    CYS  84           H        CYS  84 -10.057   5.455   6.666
  625    HA   CYS  84           HA       CYS  84 -11.686   7.903   7.020
  626   1HB   CYS  84          2HB       CYS  84 -10.059   7.371   5.034
  627   2HB   CYS  84          1HB       CYS  84 -11.403   6.405   4.426
  628    H    ASP  85           H        ASP  85 -13.632   7.420   5.044
  629    HA   ASP  85           HA       ASP  85 -15.523   5.818   6.575
  630   1HB   ASP  85          2HB       ASP  85 -16.080   7.910   5.225
  631   2HB   ASP  85          1HB       ASP  85 -15.918   6.911   3.781
  632    H    VAL  86           H        VAL  86 -16.207   3.744   6.142
  633    HA   VAL  86           HA       VAL  86 -15.141   2.415   3.681
  634    HB   VAL  86           HB       VAL  86 -15.378   0.993   6.332
  635   1HG1  VAL  86          1HG1      VAL  86 -13.679  -0.476   5.255
  636   2HG1  VAL  86          2HG1      VAL  86 -13.765   0.526   3.806
  637   3HG1  VAL  86          3HG1      VAL  86 -15.176  -0.395   4.327
  638   1HG2  VAL  86          1HG2      VAL  86 -13.871   2.833   6.773
  639   2HG2  VAL  86          2HG2      VAL  86 -13.031   2.572   5.245
  640   3HG2  VAL  86          3HG2      VAL  86 -12.893   1.384   6.541
  641    H    THR  87           H        THR  87 -16.411   0.383   3.172
  642    HA   THR  87           HA       THR  87 -19.143   0.336   4.322
  643    HB   THR  87           HB       THR  87 -18.645   0.590   1.342
  644    HG1  THR  87           1HG      THR  87 -19.118   2.654   1.558
  645   1HG2  THR  87          1HG2      THR  87 -21.150   0.904   1.341
  646   2HG2  THR  87          2HG2      THR  87 -21.147   0.419   3.037
  647   3HG2  THR  87          3HG2      THR  87 -20.620  -0.716   1.793
  648    H    GLY  88           H        GLY  88 -16.750  -1.106   2.152
  649   1HA   GLY  88          2HA       GLY  88 -17.019  -3.725   3.138
  650   2HA   GLY  88          1HA       GLY  88 -18.144  -3.597   1.785
  651    H    TRP  89           H        TRP  89 -16.701  -5.240   0.772
  652    HA   TRP  89           HA       TRP  89 -14.611  -3.885  -0.820
  653   1HB   TRP  89          2HB       TRP  89 -13.817  -6.525   0.336
  654   2HB   TRP  89          1HB       TRP  89 -12.811  -5.149  -0.114
  655    HD1  TRP  89           HD       TRP  89 -12.615  -3.135   1.626
  656    HE1  TRP  89           1HE      TRP  89 -13.009  -3.032   4.171
  657    HE3  TRP  89           3HE      TRP  89 -15.240  -7.466   2.290
  658    HZ2  TRP  89           2HZ      TRP  89 -14.270  -4.581   6.219
  659    HZ3  TRP  89           3HZ      TRP  89 -16.024  -8.127   4.547
  660    HH2  TRP  89           HH       TRP  89 -15.542  -6.692   6.510
  661    H    VAL  90           H        VAL  90 -13.869  -5.354  -2.627
  662    HA   VAL  90           HA       VAL  90 -15.668  -7.621  -3.222
  663    HB   VAL  90           HB       VAL  90 -15.466  -5.183  -5.012
  664   1HG1  VAL  90          1HG1      VAL  90 -15.539  -7.154  -6.390
  665   2HG1  VAL  90          2HG1      VAL  90 -17.172  -6.488  -6.365
  666   3HG1  VAL  90          3HG1      VAL  90 -16.776  -7.890  -5.371
  667   1HG2  VAL  90          1HG2      VAL  90 -17.990  -5.208  -4.628
  668   2HG2  VAL  90          2HG2      VAL  90 -17.014  -4.735  -3.237
  669   3HG2  VAL  90          3HG2      VAL  90 -17.689  -6.363  -3.329
  670    H    LEU  91           H        LEU  91 -14.595  -9.164  -4.404
  671    HA   LEU  91           HA       LEU  91 -11.815  -9.163  -4.692
  672   1HB   LEU  91          2HB       LEU  91 -13.987 -10.639  -6.181
  673   2HB   LEU  91          1HB       LEU  91 -12.284 -10.903  -6.556
  674    HG   LEU  91           HG       LEU  91 -11.850 -11.491  -4.200
  675   1HD1  LEU  91          1HD1      LEU  91 -13.462 -10.231  -2.992
  676   2HD1  LEU  91          2HD1      LEU  91 -13.960 -11.909  -2.784
  677   3HD1  LEU  91          3HD1      LEU  91 -14.799 -10.879  -3.944
  678   1HD2  LEU  91          1HD2      LEU  91 -13.038 -13.637  -4.193
  679   2HD2  LEU  91          2HD2      LEU  91 -12.518 -13.251  -5.833
  680   3HD2  LEU  91          3HD2      LEU  91 -14.202 -13.018  -5.365
  Start of MODEL   20
    1   1H    GLN   1          1HT       GLN   1  -3.021  -6.652 -11.238
    2   2H    GLN   1          2HT       GLN   1  -3.448  -7.569 -12.602
    3   3H    GLN   1          3HT       GLN   1  -4.295  -6.142 -12.235
    4    HA   GLN   1           HA       GLN   1  -1.896  -6.487 -13.732
    5   1HB   GLN   1          2HB       GLN   1  -3.574  -4.029 -13.155
    6   2HB   GLN   1          1HB       GLN   1  -2.488  -4.269 -14.524
    7   1HG   GLN   1          2HG       GLN   1  -3.923  -6.303 -15.119
    8   2HG   GLN   1          1HG       GLN   1  -5.092  -5.692 -13.948
    9   1HE2  GLN   1          1HE2      GLN   1  -3.732  -2.920 -15.014
   10   2HE2  GLN   1          2HE2      GLN   1  -4.734  -2.571 -16.338
   11    H    CYS   2           H        CYS   2  -0.740  -3.968 -13.601
   12    HA   CYS   2           HA       CYS   2   0.005  -3.383 -10.824
   13   1HB   CYS   2          2HB       CYS   2   1.415  -5.383 -11.555
   14   2HB   CYS   2          1HB       CYS   2   2.171  -4.302 -12.725
   15    H    TYR   3           H        TYR   3   1.450  -1.471 -10.722
   16    HA   TYR   3           HA       TYR   3   1.810   0.024 -13.247
   17   1HB   TYR   3          2HB       TYR   3   0.705   2.056 -12.069
   18   2HB   TYR   3          1HB       TYR   3  -0.356   0.830 -12.762
   19    HD1  TYR   3           1HD      TYR   3   1.326   1.834  -9.577
   20    HD2  TYR   3           2HD      TYR   3  -1.910  -0.317 -11.407
   21    HE1  TYR   3           1HE      TYR   3   0.329   1.433  -7.342
   22    HE2  TYR   3           2HE      TYR   3  -2.907  -0.718  -9.172
   23    HH   TYR   3           HH       TYR   3  -1.194  -0.093  -6.258
   24    H    PHE   4           H        PHE   4   3.178   1.950 -12.916
   25    HA   PHE   4           HA       PHE   4   4.929   1.649 -10.504
   26   1HB   PHE   4          2HB       PHE   4   5.457   2.470 -13.352
   27   2HB   PHE   4          1HB       PHE   4   6.530   3.028 -12.069
   28    HD1  PHE   4           1HD      PHE   4   4.773  -0.171 -12.978
   29    HD2  PHE   4           2HD      PHE   4   8.429   1.721 -11.746
   30    HE1  PHE   4           1HE      PHE   4   5.916  -2.371 -12.983
   31    HE2  PHE   4           2HE      PHE   4   9.570  -0.479 -11.751
   32    HZ   PHE   4           HZ       PHE   4   8.313  -2.526 -12.370
   33    H    ILE   5           H        ILE   5   5.383   3.482  -9.272
   34    HA   ILE   5           HA       ILE   5   4.025   6.016 -10.095
   35    HB   ILE   5           HB       ILE   5   4.257   4.990  -7.259
   36   1HG1  ILE   5          2HG1      ILE   5   1.840   4.980  -9.095
   37   2HG1  ILE   5          1HG1      ILE   5   2.783   3.549  -8.676
   38   1HG2  ILE   5          1HG2      ILE   5   2.677   6.781  -6.763
   39   2HG2  ILE   5          2HG2      ILE   5   2.567   7.197  -8.473
   40   3HG2  ILE   5          3HG2      ILE   5   4.075   7.461  -7.597
   41   1HD1  ILE   5          1HD1      ILE   5   1.305   5.333  -6.718
   42   2HD1  ILE   5          2HD1      ILE   5   2.276   3.927  -6.282
   43   3HD1  ILE   5          3HD1      ILE   5   0.802   3.722  -7.229
   44    HA   PRO   6           HA       PRO   6   8.224   7.533  -9.606
   45   1HB   PRO   6          2HB       PRO   6   7.269  10.220  -9.199
   46   2HB   PRO   6          1HB       PRO   6   7.990   9.524 -10.653
   47   1HG   PRO   6          2HG       PRO   6   5.237  10.224 -10.197
   48   2HG   PRO   6          1HG       PRO   6   5.971   9.573 -11.666
   49   1HD   PRO   6          2HD       PRO   6   4.200   8.223  -9.855
   50   2HD   PRO   6          1HD       PRO   6   5.012   7.543 -11.289
   51    H    ASN   7           H        ASN   7   9.490   8.807  -7.937
   52    HA   ASN   7           HA       ASN   7   8.934   7.956  -5.304
   53   1HB   ASN   7          2HB       ASN   7  11.155   8.779  -6.163
   54   2HB   ASN   7          1HB       ASN   7  10.523  10.422  -6.059
   55   1HD2  ASN   7          1HD2      ASN   7  11.498   7.607  -4.123
   56   2HD2  ASN   7          2HD2      ASN   7  11.545   8.430  -2.639
   57    H    GLN   8           H        GLN   8   7.285   8.580  -4.007
   58    HA   GLN   8           HA       GLN   8   6.065  11.269  -4.421
   59   1HB   GLN   8          2HB       GLN   8   5.001   9.029  -2.689
   60   2HB   GLN   8          1HB       GLN   8   4.118  10.408  -3.344
   61   1HG   GLN   8          2HG       GLN   8   4.560   9.540  -5.647
   62   2HG   GLN   8          1HG       GLN   8   5.305   8.111  -4.927
   63   1HE2  GLN   8          1HE2      GLN   8   3.914   6.438  -4.245
   64   2HE2  GLN   8          2HE2      GLN   8   2.220   6.554  -4.240
   65    H    SER   9           H        SER   9   8.569  10.270  -2.751
   66    HA   SER   9           HA       SER   9   7.805  11.156  -0.052
   67   1HB   SER   9          2HB       SER   9   9.966  10.482   0.610
   68   2HB   SER   9          1HB       SER   9   9.553   9.339  -0.665
   69    HG   SER   9           HG       SER   9  10.584  11.305  -1.943
   70    H    LEU  10           H        LEU  10   9.679  12.750   0.895
   71    HA   LEU  10           HA       LEU  10   9.344  15.232  -0.657
   72   1HB   LEU  10          2HB       LEU  10  10.833  14.934   1.955
   73   2HB   LEU  10          1HB       LEU  10  10.042  16.372   1.308
   74    HG   LEU  10           HG       LEU  10   8.678  13.843   2.274
   75   1HD1  LEU  10          1HD1      LEU  10   9.505  15.425   4.026
   76   2HD1  LEU  10          2HD1      LEU  10   7.746  15.298   3.995
   77   3HD1  LEU  10          3HD1      LEU  10   8.541  16.701   3.282
   78   1HD2  LEU  10          1HD2      LEU  10   7.642  16.305   0.854
   79   2HD2  LEU  10          2HD2      LEU  10   6.594  15.293   1.847
   80   3HD2  LEU  10          3HD2      LEU  10   7.386  14.613   0.428
   81    H    LYS  11           H        LYS  11  12.183  14.001   1.107
   82    HA   LYS  11           HA       LYS  11  13.923  15.159  -0.973
   83   1HB   LYS  11          2HB       LYS  11  14.942  13.577   1.374
   84   2HB   LYS  11          1HB       LYS  11  15.669  14.970   0.574
   85   1HG   LYS  11          2HG       LYS  11  13.211  14.992   2.349
   86   2HG   LYS  11          1HG       LYS  11  14.793  15.670   2.734
   87   1HD   LYS  11          2HD       LYS  11  14.517  17.131   0.651
   88   2HD   LYS  11          1HD       LYS  11  12.831  16.618   0.637
   89   1HE   LYS  11          2HE       LYS  11  13.010  17.344   3.221
   90   2HE   LYS  11          1HE       LYS  11  14.250  18.407   2.555
   91   1HZ   LYS  11          1HZ       LYS  11  12.372  18.802   0.771
   92   2HZ   LYS  11          2HZ       LYS  11  12.431  19.692   2.219
   93   3HZ   LYS  11          3HZ       LYS  11  11.369  18.374   2.070
   94    HA   PRO  12           HA       PRO  12  14.457  11.388  -3.247
   95   1HB   PRO  12          2HB       PRO  12  17.314  11.668  -3.482
   96   2HB   PRO  12          1HB       PRO  12  16.077  12.028  -4.689
   97   1HG   PRO  12          2HG       PRO  12  17.645  13.879  -3.113
   98   2HG   PRO  12          1HG       PRO  12  16.512  14.232  -4.421
   99   1HD   PRO  12          2HD       PRO  12  16.129  14.765  -1.653
  100   2HD   PRO  12          1HD       PRO  12  14.909  14.899  -2.942
  101    H    ASN  13           H        ASN  13  15.861   9.318  -3.202
  102    HA   ASN  13           HA       ASN  13  16.758   7.515  -2.005
  103   1HB   ASN  13          2HB       ASN  13  18.425   9.474  -1.418
  104   2HB   ASN  13          1HB       ASN  13  17.662   9.385   0.169
  105   1HD2  ASN  13          1HD2      ASN  13  20.313   8.252  -1.415
  106   2HD2  ASN  13          2HD2      ASN  13  20.508   6.755  -0.638
  107    H    GLU  14           H        GLU  14  14.040   8.077  -1.607
  108    HA   GLU  14           HA       GLU  14  13.703   7.053   1.153
  109   1HB   GLU  14          2HB       GLU  14  12.469   9.573   0.050
  110   2HB   GLU  14          1HB       GLU  14  11.673   8.659   1.333
  111   1HG   GLU  14          2HG       GLU  14  13.684   8.825   2.723
  112   2HG   GLU  14          1HG       GLU  14  14.515   9.701   1.438
  113    H    CYS  15           H        CYS  15  11.332   6.387   1.463
  114    HA   CYS  15           HA       CYS  15  10.007   5.590  -1.076
  115   1HB   CYS  15          2HB       CYS  15  11.211   3.752   0.959
  116   2HB   CYS  15          1HB       CYS  15   9.676   3.277   0.233
  117    H    GLN  16           H        GLN  16   8.845   7.518   0.157
  118    HA   GLN  16           HA       GLN  16   7.007   6.451   2.247
  119   1HB   GLN  16          2HB       GLN  16   8.095   8.521   2.866
  120   2HB   GLN  16          1HB       GLN  16   7.636   9.272   1.338
  121   1HG   GLN  16          2HG       GLN  16   5.332   9.317   1.928
  122   2HG   GLN  16          1HG       GLN  16   5.576   8.198   3.269
  123   1HE2  GLN  16          1HE2      GLN  16   7.302  11.226   2.319
  124   2HE2  GLN  16          2HE2      GLN  16   7.113  11.979   3.828
  125    H    ASP  17           H        ASP  17   5.146   5.630   1.439
  126    HA   ASP  17           HA       ASP  17   3.981   6.866  -1.025
  127   1HB   ASP  17          2HB       ASP  17   3.642   4.141   0.253
  128   2HB   ASP  17          1HB       ASP  17   2.586   4.727  -1.033
  129    H    LEU  18           H        LEU  18   2.391   8.314  -0.560
  130    HA   LEU  18           HA       LEU  18   0.575   9.326   0.532
  131   1HB   LEU  18          2HB       LEU  18  -0.048   6.573   1.619
  132   2HB   LEU  18          1HB       LEU  18  -1.174   7.883   1.270
  133    HG   LEU  18           HG       LEU  18   0.430   6.300  -0.758
  134   1HD1  LEU  18          1HD1      LEU  18  -2.502   6.435  -0.023
  135   2HD1  LEU  18          2HD1      LEU  18  -1.452   5.019  -0.019
  136   3HD1  LEU  18          3HD1      LEU  18  -1.936   5.752  -1.547
  137   1HD2  LEU  18          1HD2      LEU  18  -1.312   8.759  -0.990
  138   2HD2  LEU  18          2HD2      LEU  18  -1.070   7.675  -2.359
  139   3HD2  LEU  18          3HD2      LEU  18   0.309   8.502  -1.635
  140    H    LYS  19           H        LYS  19  -0.423   7.962   3.130
  141    HA   LYS  19           HA       LYS  19   1.751   9.050   4.884
  142   1HB   LYS  19          2HB       LYS  19  -1.227   9.290   4.947
  143   2HB   LYS  19          1HB       LYS  19  -0.402   9.162   6.499
  144   1HG   LYS  19          2HG       LYS  19   0.624  11.089   4.428
  145   2HG   LYS  19          1HG       LYS  19  -0.764  11.533   5.418
  146   1HD   LYS  19          2HD       LYS  19   0.466  11.472   7.413
  147   2HD   LYS  19          1HD       LYS  19   1.725  10.450   6.720
  148   1HE   LYS  19          2HE       LYS  19   2.284  12.948   7.063
  149   2HE   LYS  19          1HE       LYS  19   2.666  12.240   5.493
  150   1HZ   LYS  19          1HZ       LYS  19   1.050  14.424   5.996
  151   2HZ   LYS  19          2HZ       LYS  19  -0.003  13.175   5.528
  152   3HZ   LYS  19          3HZ       LYS  19   1.277  13.636   4.511
  153    H    GLY  20           H        GLY  20   0.584   6.212   3.828
  154   1HA   GLY  20          2HA       GLY  20   0.356   4.836   6.421
  155   2HA   GLY  20          1HA       GLY  20   0.218   4.083   4.831
  156    H    VAL  21           H        VAL  21   2.566   4.711   3.603
  157    HA   VAL  21           HA       VAL  21   4.523   3.211   5.259
  158    HB   VAL  21           HB       VAL  21   4.845   4.010   2.363
  159   1HG1  VAL  21          1HG1      VAL  21   6.836   3.141   3.486
  160   2HG1  VAL  21          2HG1      VAL  21   6.233   1.939   2.345
  161   3HG1  VAL  21          3HG1      VAL  21   5.926   1.748   4.071
  162   1HG2  VAL  21          1HG2      VAL  21   3.333   1.678   3.567
  163   2HG2  VAL  21          2HG2      VAL  21   3.919   1.679   1.904
  164   3HG2  VAL  21          3HG2      VAL  21   2.730   2.875   2.420
  165    H    SER  22           H        SER  22   6.747   3.978   5.416
  166    HA   SER  22           HA       SER  22   7.571   6.575   4.509
  167   1HB   SER  22          2HB       SER  22   5.934   7.378   6.154
  168   2HB   SER  22          1HB       SER  22   6.678   6.383   7.402
  169    HG   SER  22           HG       SER  22   7.297   8.762   7.055
  170    H    HIS  23           H        HIS  23   9.409   5.174   4.038
  171    HA   HIS  23           HA       HIS  23  11.254   4.985   6.334
  172   1HB   HIS  23          2HB       HIS  23  10.230   2.621   4.767
  173   2HB   HIS  23          1HB       HIS  23  11.825   2.575   5.519
  174    HD1  HIS  23           1HD      HIS  23  11.348   3.961   8.161
  175    HD2  HIS  23           2HD      HIS  23   8.625   1.244   6.551
  176    HE1  HIS  23           1HE      HIS  23   9.962   3.102  10.099
  177    HA   PRO  24           HA       PRO  24  14.195   6.299   3.297
  178   1HB   PRO  24          2HB       PRO  24  16.266   4.495   4.166
  179   2HB   PRO  24          1HB       PRO  24  16.095   6.216   4.525
  180   1HG   PRO  24          2HG       PRO  24  15.628   3.959   6.274
  181   2HG   PRO  24          1HG       PRO  24  15.598   5.681   6.665
  182   1HD   PRO  24          2HD       PRO  24  13.359   3.932   6.529
  183   2HD   PRO  24          1HD       PRO  24  13.317   5.706   6.687
  184    H    LEU  25           H        LEU  25  15.805   5.278   1.616
  185    HA   LEU  25           HA       LEU  25  14.397   3.480  -0.051
  186   1HB   LEU  25          2HB       LEU  25  16.824   4.933  -0.163
  187   2HB   LEU  25          1HB       LEU  25  17.263   3.255  -0.461
  188    HG   LEU  25           HG       LEU  25  16.703   4.509  -2.544
  189   1HD1  LEU  25          1HD1      LEU  25  15.229   2.790  -3.485
  190   2HD1  LEU  25          2HD1      LEU  25  14.762   2.281  -1.864
  191   3HD1  LEU  25          3HD1      LEU  25  16.422   2.057  -2.414
  192   1HD2  LEU  25          1HD2      LEU  25  14.779   5.684  -2.802
  193   2HD2  LEU  25          2HD2      LEU  25  14.642   5.587  -1.048
  194   3HD2  LEU  25          3HD2      LEU  25  13.798   4.419  -2.066
  195    H    ASN  26           H        ASN  26  16.208   1.451  -0.751
  196    HA   ASN  26           HA       ASN  26  16.717  -0.762  -0.154
  197   1HB   ASN  26          2HB       ASN  26  17.238   0.328   2.618
  198   2HB   ASN  26          1HB       ASN  26  18.011  -1.045   1.825
  199   1HD2  ASN  26          1HD2      ASN  26  18.831  -0.116  -0.600
  200   2HD2  ASN  26          2HD2      ASN  26  19.855   1.228  -0.439
  201    H    SER  27           H        SER  27  14.114  -0.619  -0.273
  202    HA   SER  27           HA       SER  27  13.186  -2.146   2.090
  203   1HB   SER  27          2HB       SER  27  11.632   0.230   1.031
  204   2HB   SER  27          1HB       SER  27  11.203  -0.789   2.402
  205    HG   SER  27           HG       SER  27  12.545   1.384   2.533
  206    H    VAL  28           H        VAL  28  13.257  -3.873   0.475
  207    HA   VAL  28           HA       VAL  28  11.111  -3.699  -1.599
  208    HB   VAL  28           HB       VAL  28  12.403  -5.838  -2.406
  209   1HG1  VAL  28          1HG1      VAL  28  13.631  -3.073  -2.612
  210   2HG1  VAL  28          2HG1      VAL  28  12.319  -3.684  -3.620
  211   3HG1  VAL  28          3HG1      VAL  28  13.922  -4.411  -3.723
  212   1HG2  VAL  28          1HG2      VAL  28  14.596  -4.421  -0.874
  213   2HG2  VAL  28          2HG2      VAL  28  14.717  -5.938  -1.765
  214   3HG2  VAL  28          3HG2      VAL  28  13.782  -5.864  -0.271
  215    H    TRP  29           H        TRP  29   9.287  -4.848  -1.142
  216    HA   TRP  29           HA       TRP  29   9.536  -7.372   0.408
  217   1HB   TRP  29          2HB       TRP  29   7.733  -6.750   1.926
  218   2HB   TRP  29          1HB       TRP  29   9.020  -5.550   2.035
  219    HD1  TRP  29           HD       TRP  29   5.454  -6.033   0.823
  220    HE1  TRP  29           1HE      TRP  29   4.440  -3.736   0.246
  221    HE3  TRP  29           3HE      TRP  29   9.617  -3.105   1.232
  222    HZ2  TRP  29           2HZ      TRP  29   5.284  -1.013  -0.011
  223    HZ3  TRP  29           3HZ      TRP  29   9.482  -0.665   0.816
  224    HH2  TRP  29           HH       TRP  29   7.324   0.383   0.197
  225    H    LYS  30           H        LYS  30   8.438  -8.915  -0.664
  226    HA   LYS  30           HA       LYS  30   6.182  -8.080  -2.449
  227   1HB   LYS  30          2HB       LYS  30   8.146 -10.376  -2.672
  228   2HB   LYS  30          1HB       LYS  30   6.715 -10.214  -3.692
  229   1HG   LYS  30          2HG       LYS  30   7.541  -7.947  -4.386
  230   2HG   LYS  30          1HG       LYS  30   9.024  -8.260  -3.484
  231   1HD   LYS  30          2HD       LYS  30   9.503 -10.210  -4.875
  232   2HD   LYS  30          1HD       LYS  30   7.974 -10.004  -5.732
  233   1HE   LYS  30          2HE       LYS  30   8.701  -7.878  -6.640
  234   2HE   LYS  30          1HE       LYS  30  10.167  -7.914  -5.662
  235   1HZ   LYS  30          1HZ       LYS  30  10.579 -10.138  -6.856
  236   2HZ   LYS  30          2HZ       LYS  30  10.882  -8.693  -7.696
  237   3HZ   LYS  30          3HZ       LYS  30   9.457  -9.569  -7.994
  238    H    THR  31           H        THR  31   4.240  -8.666  -1.619
  239    HA   THR  31           HA       THR  31   4.116 -11.065   0.164
  240    HB   THR  31           HB       THR  31   2.216 -10.094   1.201
  241    HG1  THR  31           1HG      THR  31   1.569  -7.946   0.075
  242   1HG2  THR  31          1HG2      THR  31   4.461  -8.926   1.575
  243   2HG2  THR  31          2HG2      THR  31   3.021  -7.999   1.993
  244   3HG2  THR  31          3HG2      THR  31   3.872  -7.674   0.484
  245    H    LYS  32           H        LYS  32   4.169 -12.295  -1.979
  246    HA   LYS  32           HA       LYS  32   2.247 -12.195  -3.986
  247   1HB   LYS  32          2HB       LYS  32   2.449 -14.829  -3.861
  248   2HB   LYS  32          1HB       LYS  32   3.843 -13.856  -4.331
  249   1HG   LYS  32          2HG       LYS  32   4.847 -14.043  -2.202
  250   2HG   LYS  32          1HG       LYS  32   3.343 -14.562  -1.439
  251   1HD   LYS  32          2HD       LYS  32   4.500 -16.250  -3.638
  252   2HD   LYS  32          1HD       LYS  32   5.228 -16.331  -2.035
  253   1HE   LYS  32          2HE       LYS  32   2.243 -16.580  -2.377
  254   2HE   LYS  32          1HE       LYS  32   3.296 -17.979  -2.584
  255   1HZ   LYS  32          1HZ       LYS  32   4.060 -17.808  -0.391
  256   2HZ   LYS  32          2HZ       LYS  32   2.379 -17.584  -0.282
  257   3HZ   LYS  32          3HZ       LYS  32   3.424 -16.248  -0.188
  258    H    ASP  33           H        ASP  33   0.350 -13.821  -4.232
  259    HA   ASP  33           HA       ASP  33  -1.807 -14.427  -3.540
  260   1HB   ASP  33          2HB       ASP  33  -0.355 -15.939  -2.075
  261   2HB   ASP  33          1HB       ASP  33  -0.598 -14.758  -0.788
  262    H    CYS  34           H        CYS  34  -0.435 -11.629  -2.794
  263    HA   CYS  34           HA       CYS  34  -2.921 -10.546  -1.643
  264   1HB   CYS  34          2HB       CYS  34  -0.288 -10.016  -0.246
  265   2HB   CYS  34          1HB       CYS  34  -1.902  -9.538   0.281
  266    H    GLU  35           H        GLU  35   0.376  -9.234  -1.692
  267    HA   GLU  35           HA       GLU  35  -0.212  -7.610  -4.074
  268   1HB   GLU  35          2HB       GLU  35  -1.239  -6.243  -2.338
  269   2HB   GLU  35          1HB       GLU  35   0.207  -6.371  -1.335
  270   1HG   GLU  35          2HG       GLU  35   1.490  -5.038  -2.814
  271   2HG   GLU  35          1HG       GLU  35   0.322  -5.219  -4.124
  272    H    GLU  36           H        GLU  36   1.779  -6.229  -4.602
  273    HA   GLU  36           HA       GLU  36   4.275  -7.258  -3.360
  274   1HB   GLU  36          2HB       GLU  36   3.892  -7.221  -6.363
  275   2HB   GLU  36          1HB       GLU  36   5.247  -7.896  -5.459
  276   1HG   GLU  36          2HG       GLU  36   3.628  -9.506  -4.387
  277   2HG   GLU  36          1HG       GLU  36   2.395  -8.917  -5.505
  278    H    CYS  37           H        CYS  37   5.117  -5.334  -2.671
  279    HA   CYS  37           HA       CYS  37   5.220  -3.085  -4.640
  280   1HB   CYS  37          2HB       CYS  37   4.758  -3.104  -1.672
  281   2HB   CYS  37          1HB       CYS  37   5.464  -1.686  -2.446
  282    H    THR  38           H        THR  38   7.214  -2.448  -5.214
  283    HA   THR  38           HA       THR  38   9.521  -3.228  -3.467
  284    HB   THR  38           HB       THR  38  10.799  -3.783  -5.383
  285    HG1  THR  38           1HG      THR  38   9.458  -1.880  -6.494
  286   1HG2  THR  38          1HG2      THR  38   9.532  -5.512  -6.449
  287   2HG2  THR  38          2HG2      THR  38   8.012  -4.671  -6.144
  288   3HG2  THR  38          3HG2      THR  38   8.912  -5.381  -4.804
  289    H    CYS  39           H        CYS  39  11.433  -1.767  -3.784
  290    HA   CYS  39           HA       CYS  39  10.519   1.028  -4.349
  291   1HB   CYS  39          2HB       CYS  39  12.359  -0.178  -2.332
  292   2HB   CYS  39          1HB       CYS  39  12.788   1.415  -2.957
  293    H    GLY  40           H        GLY  40  11.109   1.443  -6.446
  294   1HA   GLY  40          2HA       GLY  40  13.535   0.339  -7.622
  295   2HA   GLY  40          1HA       GLY  40  12.463   1.519  -8.379
  296    H    GLN  41           H        GLN  41  15.228   1.847  -8.571
  297    HA   GLN  41           HA       GLN  41  16.542   3.343  -6.611
  298   1HB   GLN  41          2HB       GLN  41  17.381   2.609  -8.945
  299   2HB   GLN  41          1HB       GLN  41  16.674   4.118  -9.524
  300   1HG   GLN  41          2HG       GLN  41  18.932   4.663  -9.032
  301   2HG   GLN  41          1HG       GLN  41  18.014   5.267  -7.652
  302   1HE2  GLN  41          1HE2      GLN  41  20.363   4.958  -6.688
  303   2HE2  GLN  41          2HE2      GLN  41  20.676   3.447  -5.980
  304    H    ASP  42           H        ASP  42  14.483   4.640  -9.218
  305    HA   ASP  42           HA       ASP  42  13.889   6.979  -7.445
  306   1HB   ASP  42          2HB       ASP  42  13.847   8.389  -9.513
  307   2HB   ASP  42          1HB       ASP  42  15.448   7.744  -9.154
  308    H    ALA  43           H        ALA  43  12.404   4.462  -7.997
  309    HA   ALA  43           HA       ALA  43   9.824   5.708  -8.600
  310   1HB   ALA  43          1HB       ALA  43  10.977   3.574 -10.423
  311   2HB   ALA  43          2HB       ALA  43  10.570   5.230 -10.872
  312   3HB   ALA  43          3HB       ALA  43   9.293   4.094 -10.440
  313    H    ILE  44           H        ILE  44   8.030   4.132  -8.234
  314    HA   ILE  44           HA       ILE  44   8.888   1.847  -6.491
  315    HB   ILE  44           HB       ILE  44   6.599   3.801  -6.129
  316   1HG1  ILE  44          2HG1      ILE  44   8.847   2.997  -4.258
  317   2HG1  ILE  44          1HG1      ILE  44   8.912   4.413  -5.310
  318   1HG2  ILE  44          1HG2      ILE  44   5.667   1.669  -5.599
  319   2HG2  ILE  44          2HG2      ILE  44   6.159   2.360  -4.053
  320   3HG2  ILE  44          3HG2      ILE  44   7.157   1.129  -4.825
  321   1HD1  ILE  44          1HD1      ILE  44   6.956   3.879  -3.062
  322   2HD1  ILE  44          2HD1      ILE  44   6.743   5.176  -4.236
  323   3HD1  ILE  44          3HD1      ILE  44   8.143   5.178  -3.165
  324    H    SER  45           H        SER  45   8.028  -0.097  -7.074
  325    HA   SER  45           HA       SER  45   5.869  -0.094  -9.150
  326   1HB   SER  45          2HB       SER  45   6.790  -2.063 -10.026
  327   2HB   SER  45          1HB       SER  45   8.227  -1.169  -9.539
  328    HG   SER  45           HG       SER  45   6.868  -3.157  -8.026
  329    H    CYS  46           H        CYS  46   3.902  -0.685  -8.372
  330    HA   CYS  46           HA       CYS  46   3.811  -2.647  -6.112
  331   1HB   CYS  46          2HB       CYS  46   2.368  -0.038  -6.466
  332   2HB   CYS  46          1HB       CYS  46   1.598  -1.341  -5.561
  333    H    CYS  47           H        CYS  47   2.557  -4.389  -6.507
  334    HA   CYS  47           HA       CYS  47   0.585  -4.239  -8.758
  335   1HB   CYS  47          2HB       CYS  47   2.081  -6.744  -7.973
  336   2HB   CYS  47          1HB       CYS  47   1.196  -6.421  -9.464
  337    H    ASN  48           H        ASN  48  -1.355  -4.176  -7.693
  338    HA   ASN  48           HA       ASN  48  -1.757  -6.056  -5.398
  339   1HB   ASN  48          2HB       ASN  48  -3.764  -4.553  -4.934
  340   2HB   ASN  48          1HB       ASN  48  -2.182  -3.805  -4.702
  341   1HD2  ASN  48          1HD2      ASN  48  -5.030  -3.875  -6.810
  342   2HD2  ASN  48          2HD2      ASN  48  -4.623  -2.487  -7.699
  343    H    THR  49           H        THR  49  -3.439  -7.534  -5.487
  344    HA   THR  49           HA       THR  49  -5.215  -7.477  -7.888
  345    HB   THR  49           HB       THR  49  -4.789  -9.747  -8.414
  346    HG1  THR  49           1HG      THR  49  -3.516 -11.040  -6.989
  347   1HG2  THR  49          1HG2      THR  49  -2.927  -8.179  -9.006
  348   2HG2  THR  49          2HG2      THR  49  -2.393  -9.845  -8.785
  349   3HG2  THR  49          3HG2      THR  49  -2.111  -8.653  -7.517
  350    H    ALA  50           H        ALA  50  -5.091  -7.350  -4.653
  351    HA   ALA  50           HA       ALA  50  -7.147  -9.334  -3.998
  352   1HB   ALA  50          1HB       ALA  50  -5.559  -8.799  -2.265
  353   2HB   ALA  50          2HB       ALA  50  -7.118  -8.145  -1.762
  354   3HB   ALA  50          3HB       ALA  50  -5.884  -7.074  -2.424
  355    H    ALA  51           H        ALA  51  -9.181  -8.480  -2.825
  356    HA   ALA  51           HA       ALA  51 -10.863  -7.105  -4.565
  357   1HB   ALA  51          1HB       ALA  51 -11.467  -8.325  -2.389
  358   2HB   ALA  51          2HB       ALA  51 -12.389  -6.866  -2.752
  359   3HB   ALA  51          3HB       ALA  51 -11.087  -6.813  -1.564
  360    H    ILE  52           H        ILE  52 -11.915  -4.881  -4.012
  361    HA   ILE  52           HA       ILE  52  -9.780  -2.915  -3.302
  362    HB   ILE  52           HB       ILE  52 -10.424  -3.246  -5.823
  363   1HG1  ILE  52          2HG1      ILE  52 -10.521  -0.400  -4.833
  364   2HG1  ILE  52          1HG1      ILE  52  -9.063  -1.370  -4.618
  365   1HG2  ILE  52          1HG2      ILE  52 -12.314  -2.008  -6.586
  366   2HG2  ILE  52          2HG2      ILE  52 -12.579  -1.289  -4.998
  367   3HG2  ILE  52          3HG2      ILE  52 -12.903  -3.005  -5.257
  368   1HD1  ILE  52          1HD1      ILE  52  -8.960  -1.814  -7.007
  369   2HD1  ILE  52          2HD1      ILE  52  -9.001  -0.074  -6.718
  370   3HD1  ILE  52          3HD1      ILE  52 -10.455  -0.914  -7.258
  371    HA   PRO  53           HA       PRO  53 -12.943  -1.627  -0.391
  372   1HB   PRO  53          2HB       PRO  53 -11.898   1.055  -0.300
  373   2HB   PRO  53          1HB       PRO  53 -11.704  -0.237   0.888
  374   1HG   PRO  53          2HG       PRO  53  -9.740   0.808  -0.936
  375   2HG   PRO  53          1HG       PRO  53  -9.536  -0.449   0.288
  376   1HD   PRO  53          2HD       PRO  53  -9.582  -0.781  -2.559
  377   2HD   PRO  53          1HD       PRO  53  -9.472  -2.057  -1.322
  378    H    THR  54           H        THR  54 -14.989  -1.176  -1.077
  379    HA   THR  54           HA       THR  54 -15.372   1.032  -3.070
  380    HB   THR  54           HB       THR  54 -17.175  -0.166  -4.012
  381    HG1  THR  54           1HG      THR  54 -17.074  -2.047  -1.913
  382   1HG2  THR  54          1HG2      THR  54 -14.847  -1.199  -4.315
  383   2HG2  THR  54          2HG2      THR  54 -16.224  -2.240  -4.675
  384   3HG2  THR  54          3HG2      THR  54 -15.358  -2.418  -3.148
  385    H    GLY  55           H        GLY  55 -17.751   1.907  -2.856
  386   1HA   GLY  55          2HA       GLY  55 -19.373   2.971  -1.526
  387   2HA   GLY  55          1HA       GLY  55 -19.009   1.795  -0.262
  388    H    TYR  56           H        TYR  56 -16.239   2.359   0.036
  389    HA   TYR  56           HA       TYR  56 -16.208   4.375   1.966
  390   1HB   TYR  56          2HB       TYR  56 -14.237   3.189   2.037
  391   2HB   TYR  56          1HB       TYR  56 -14.143   3.045   0.283
  392    HD1  TYR  56           1HD      TYR  56 -12.367   4.173  -0.714
  393    HD2  TYR  56           2HD      TYR  56 -14.160   5.819   2.826
  394    HE1  TYR  56           1HE      TYR  56 -10.767   6.064  -0.783
  395    HE2  TYR  56           2HE      TYR  56 -12.559   7.710   2.757
  396    HH   TYR  56           HH       TYR  56  -9.898   7.818   1.461
  397    H    ASP  57           H        ASP  57 -16.956   6.419   1.618
  398    HA   ASP  57           HA       ASP  57 -17.009   7.780  -0.868
  399   1HB   ASP  57          2HB       ASP  57 -18.292   8.417   1.211
  400   2HB   ASP  57          1HB       ASP  57 -16.793   9.080   1.861
  401    H    THR  58           H        THR  58 -15.214   8.223  -2.060
  402    HA   THR  58           HA       THR  58 -12.594   8.552  -0.844
  403    HB   THR  58           HB       THR  58 -11.780   8.789  -3.072
  404    HG1  THR  58           1HG      THR  58 -14.232   8.996  -4.292
  405   1HG2  THR  58          1HG2      THR  58 -12.752   6.560  -2.514
  406   2HG2  THR  58          2HG2      THR  58 -12.821   6.922  -4.239
  407   3HG2  THR  58          3HG2      THR  58 -14.271   7.074  -3.247
  408    H    ASN  59           H        ASN  59 -13.345  10.367   0.609
  409    HA   ASN  59           HA       ASN  59 -13.794  12.967  -0.702
  410   1HB   ASN  59          2HB       ASN  59 -14.897  12.216   1.485
  411   2HB   ASN  59          1HB       ASN  59 -13.325  12.467   2.245
  412   1HD2  ASN  59          1HD2      ASN  59 -12.339  14.779   1.381
  413   2HD2  ASN  59          2HD2      ASN  59 -13.429  16.071   1.539
  414    H    LYS  60           H        LYS  60 -11.300  11.450   1.354
  415    HA   LYS  60           HA       LYS  60  -9.203  12.948  -0.002
  416   1HB   LYS  60          2HB       LYS  60  -8.438  13.881   2.344
  417   2HB   LYS  60          1HB       LYS  60  -9.636  14.766   1.399
  418   1HG   LYS  60          2HG       LYS  60 -11.452  13.823   2.676
  419   2HG   LYS  60          1HG       LYS  60 -10.359  12.714   3.505
  420   1HD   LYS  60          2HD       LYS  60  -9.306  14.480   4.706
  421   2HD   LYS  60          1HD       LYS  60 -10.024  15.713   3.667
  422   1HE   LYS  60          2HE       LYS  60 -12.266  15.124   4.512
  423   2HE   LYS  60          1HE       LYS  60 -11.551  13.891   5.550
  424   1HZ   LYS  60          1HZ       LYS  60 -10.498  16.612   5.735
  425   2HZ   LYS  60          2HZ       LYS  60 -10.673  15.432   6.944
  426   3HZ   LYS  60          3HZ       LYS  60 -12.024  16.314   6.414
  427    H    CYS  61           H        CYS  61 -10.183  10.923   2.722
  428    HA   CYS  61           HA       CYS  61  -7.718   9.912   3.570
  429   1HB   CYS  61          2HB       CYS  61 -10.362   8.475   3.218
  430   2HB   CYS  61          1HB       CYS  61  -8.980   7.787   4.069
  431    H    GLN  62           H        GLN  62  -6.943   7.562   3.030
  432    HA   GLN  62           HA       GLN  62  -7.066   7.126   0.067
  433   1HB   GLN  62          2HB       GLN  62  -4.539   6.523   1.556
  434   2HB   GLN  62          1HB       GLN  62  -4.764   6.985  -0.131
  435   1HG   GLN  62          2HG       GLN  62  -3.875   8.945   0.753
  436   2HG   GLN  62          1HG       GLN  62  -5.603   9.259   0.911
  437   1HE2  GLN  62          1HE2      GLN  62  -2.653   8.546   2.707
  438   2HE2  GLN  62          2HE2      GLN  62  -3.317   8.775   4.252
  439    H    LYS  63           H        LYS  63  -5.914   4.879  -0.348
  440    HA   LYS  63           HA       LYS  63  -7.034   2.923   1.632
  441   1HB   LYS  63          2HB       LYS  63  -7.107   1.432  -0.540
  442   2HB   LYS  63          1HB       LYS  63  -8.389   2.607  -0.247
  443   1HG   LYS  63          2HG       LYS  63  -7.323   4.224  -1.709
  444   2HG   LYS  63          1HG       LYS  63  -5.918   3.175  -1.908
  445   1HD   LYS  63          2HD       LYS  63  -7.131   1.592  -3.178
  446   2HD   LYS  63          1HD       LYS  63  -8.688   2.232  -2.648
  447   1HE   LYS  63          2HE       LYS  63  -8.135   2.898  -4.986
  448   2HE   LYS  63          1HE       LYS  63  -8.316   4.288  -3.914
  449   1HZ   LYS  63          1HZ       LYS  63  -5.657   3.424  -3.804
  450   2HZ   LYS  63          2HZ       LYS  63  -6.262   4.893  -4.405
  451   3HZ   LYS  63          3HZ       LYS  63  -6.089   3.557  -5.439
  452    H    ILE  64           H        ILE  64  -5.677   1.208   2.218
  453    HA   ILE  64           HA       ILE  64  -3.063   0.969   0.813
  454    HB   ILE  64           HB       ILE  64  -3.040   2.510   2.925
  455   1HG1  ILE  64          2HG1      ILE  64  -0.805   1.523   3.594
  456   2HG1  ILE  64          1HG1      ILE  64  -1.150   0.174   2.515
  457   1HG2  ILE  64          1HG2      ILE  64  -2.803  -0.144   4.337
  458   2HG2  ILE  64          2HG2      ILE  64  -4.350   0.695   4.219
  459   3HG2  ILE  64          3HG2      ILE  64  -2.990   1.464   5.038
  460   1HD1  ILE  64          1HD1      ILE  64  -0.783   1.414   0.630
  461   2HD1  ILE  64          2HD1      ILE  64   0.173   2.409   1.726
  462   3HD1  ILE  64          3HD1      ILE  64  -1.478   2.878   1.328
  463    H    LEU  65           H        LEU  65  -2.084  -1.100   1.047
  464    HA   LEU  65           HA       LEU  65  -3.981  -3.235   1.812
  465   1HB   LEU  65          2HB       LEU  65  -2.174  -2.929  -0.280
  466   2HB   LEU  65          1HB       LEU  65  -1.331  -4.031   0.799
  467    HG   LEU  65           HG       LEU  65  -2.734  -5.191  -0.897
  468   1HD1  LEU  65          1HD1      LEU  65  -3.105  -5.514   2.043
  469   2HD1  LEU  65          2HD1      LEU  65  -2.407  -6.622   0.868
  470   3HD1  LEU  65          3HD1      LEU  65  -4.158  -6.453   0.988
  471   1HD2  LEU  65          1HD2      LEU  65  -4.591  -3.238  -0.417
  472   2HD2  LEU  65          2HD2      LEU  65  -5.257  -4.574   0.523
  473   3HD2  LEU  65          3HD2      LEU  65  -4.951  -4.774  -1.201
  474    H    ASN  66           H        ASN  66  -3.872  -3.962   3.880
  475    HA   ASN  66           HA       ASN  66  -1.485  -3.509   5.510
  476   1HB   ASN  66          2HB       ASN  66  -4.154  -3.754   6.098
  477   2HB   ASN  66          1HB       ASN  66  -3.567  -5.356   6.534
  478   1HD2  ASN  66          1HD2      ASN  66  -2.285  -1.988   6.881
  479   2HD2  ASN  66          2HD2      ASN  66  -1.870  -2.165   8.517
  480    H    LYS  67           H        LYS  67   0.207  -4.784   4.769
  481    HA   LYS  67           HA       LYS  67  -0.086  -7.466   3.816
  482   1HB   LYS  67          2HB       LYS  67   2.408  -7.593   4.247
  483   2HB   LYS  67          1HB       LYS  67   1.898  -6.250   3.225
  484   1HG   LYS  67          2HG       LYS  67   2.730  -4.744   4.690
  485   2HG   LYS  67          1HG       LYS  67   1.797  -5.451   6.009
  486   1HD   LYS  67          2HD       LYS  67   3.526  -7.134   6.379
  487   2HD   LYS  67          1HD       LYS  67   4.443  -6.533   4.998
  488   1HE   LYS  67          2HE       LYS  67   4.787  -4.388   6.097
  489   2HE   LYS  67          1HE       LYS  67   3.750  -4.873   7.438
  490   1HZ   LYS  67          1HZ       LYS  67   5.344  -6.165   8.325
  491   2HZ   LYS  67          2HZ       LYS  67   6.389  -5.145   7.458
  492   3HZ   LYS  67          3HZ       LYS  67   5.953  -6.660   6.822
  493    H    LYS  68           H        LYS  68  -0.407  -6.247   6.945
  494    HA   LYS  68           HA       LYS  68   0.821  -8.234   8.546
  495   1HB   LYS  68          2HB       LYS  68  -1.662  -6.554   8.925
  496   2HB   LYS  68          1HB       LYS  68  -1.140  -7.711  10.149
  497   1HG   LYS  68          2HG       LYS  68   0.852  -5.749   9.049
  498   2HG   LYS  68          1HG       LYS  68  -0.307  -5.204  10.258
  499   1HD   LYS  68          2HD       LYS  68   1.165  -7.762  10.787
  500   2HD   LYS  68          1HD       LYS  68   2.050  -6.249  10.967
  501   1HE   LYS  68          2HE       LYS  68   1.099  -6.781  13.115
  502   2HE   LYS  68          1HE       LYS  68   0.177  -5.431  12.458
  503   1HZ   LYS  68          1HZ       LYS  68  -1.588  -6.826  11.886
  504   2HZ   LYS  68          2HZ       LYS  68  -1.123  -7.358  13.431
  505   3HZ   LYS  68          3HZ       LYS  68  -0.661  -8.237  12.053
  506    H    THR  69           H        THR  69  -2.502  -8.117   7.250
  507    HA   THR  69           HA       THR  69  -2.548 -11.108   7.365
  508    HB   THR  69           HB       THR  69  -5.015 -10.881   7.899
  509    HG1  THR  69           1HG      THR  69  -4.478  -8.345   8.896
  510   1HG2  THR  69          1HG2      THR  69  -3.321 -11.443   9.616
  511   2HG2  THR  69          2HG2      THR  69  -4.635 -10.478  10.288
  512   3HG2  THR  69          3HG2      THR  69  -3.083  -9.723   9.926
  513    H    CYS  70           H        CYS  70  -2.005  -9.123   5.183
  514    HA   CYS  70           HA       CYS  70  -2.642  -8.748   2.952
  515   1HB   CYS  70          2HB       CYS  70  -3.807 -11.491   3.488
  516   2HB   CYS  70          1HB       CYS  70  -3.795 -10.746   1.889
  517    H    THR  71           H        THR  71  -4.098  -7.007   3.906
  518    HA   THR  71           HA       THR  71  -6.880  -7.519   3.006
  519    HB   THR  71           HB       THR  71  -7.918  -7.004   5.018
  520    HG1  THR  71           1HG      THR  71  -5.572  -5.544   5.461
  521   1HG2  THR  71          1HG2      THR  71  -6.577  -9.090   5.283
  522   2HG2  THR  71          2HG2      THR  71  -6.826  -8.244   6.808
  523   3HG2  THR  71          3HG2      THR  71  -5.274  -8.128   5.982
  524    H    TYR  72           H        TYR  72  -8.132  -5.355   3.065
  525    HA   TYR  72           HA       TYR  72  -6.274  -3.167   2.208
  526   1HB   TYR  72          2HB       TYR  72  -8.576  -4.329   0.972
  527   2HB   TYR  72          1HB       TYR  72  -9.003  -2.682   1.426
  528    HD1  TYR  72           1HD      TYR  72  -6.755  -1.038   1.072
  529    HD2  TYR  72           2HD      TYR  72  -7.854  -4.491  -1.236
  530    HE1  TYR  72           1HE      TYR  72  -5.462  -0.163  -0.856
  531    HE2  TYR  72           2HE      TYR  72  -6.561  -3.615  -3.163
  532    HH   TYR  72           HH       TYR  72  -5.440  -0.420  -3.324
  533    H    THR  73           H        THR  73  -6.431  -1.185   3.256
  534    HA   THR  73           HA       THR  73  -8.696  -0.812   5.170
  535    HB   THR  73           HB       THR  73  -7.341  -0.518   6.997
  536    HG1  THR  73           1HG      THR  73  -4.953   0.080   6.255
  537   1HG2  THR  73          1HG2      THR  73  -6.760  -2.754   6.035
  538   2HG2  THR  73          2HG2      THR  73  -5.461  -2.051   6.998
  539   3HG2  THR  73          3HG2      THR  73  -5.377  -2.005   5.237
  540    H    VAL  74           H        VAL  74  -8.707   1.540   5.959
  541    HA   VAL  74           HA       VAL  74  -7.837   3.358   3.742
  542    HB   VAL  74           HB       VAL  74 -10.268   3.929   5.416
  543   1HG1  VAL  74          1HG1      VAL  74  -9.205   5.541   3.739
  544   2HG1  VAL  74          2HG1      VAL  74 -10.922   5.217   3.513
  545   3HG1  VAL  74          3HG1      VAL  74  -9.732   4.425   2.481
  546   1HG2  VAL  74          1HG2      VAL  74 -11.624   2.740   3.662
  547   2HG2  VAL  74          2HG2      VAL  74 -10.664   1.653   4.667
  548   3HG2  VAL  74          3HG2      VAL  74 -10.124   2.053   3.037
  549    H    VAL  75           H        VAL  75  -6.387   4.820   4.470
  550    HA   VAL  75           HA       VAL  75  -6.396   5.500   7.385
  551    HB   VAL  75           HB       VAL  75  -4.023   6.301   6.858
  552   1HG1  VAL  75          1HG1      VAL  75  -3.170   3.894   6.726
  553   2HG1  VAL  75          2HG1      VAL  75  -4.859   3.404   6.605
  554   3HG1  VAL  75          3HG1      VAL  75  -4.285   4.243   8.046
  555   1HG2  VAL  75          1HG2      VAL  75  -4.413   4.590   4.390
  556   2HG2  VAL  75          2HG2      VAL  75  -2.998   5.551   4.822
  557   3HG2  VAL  75          3HG2      VAL  75  -4.499   6.352   4.353
  558    H    GLU  76           H        GLU  76  -5.568   7.814   7.789
  559    HA   GLU  76           HA       GLU  76  -6.932   9.648   5.857
  560   1HB   GLU  76          2HB       GLU  76  -7.735   9.474   8.292
  561   2HB   GLU  76          1HB       GLU  76  -6.228  10.281   8.723
  562   1HG   GLU  76          2HG       GLU  76  -6.794  12.174   7.275
  563   2HG   GLU  76          1HG       GLU  76  -8.277  11.365   6.771
  564    H    LYS  77           H        LYS  77  -5.818  11.436   5.086
  565    HA   LYS  77           HA       LYS  77  -2.978  11.305   4.917
  566   1HB   LYS  77          2HB       LYS  77  -5.061  13.349   4.236
  567   2HB   LYS  77          1HB       LYS  77  -3.372  13.853   4.241
  568   1HG   LYS  77          2HG       LYS  77  -4.085  11.309   2.821
  569   2HG   LYS  77          1HG       LYS  77  -4.489  12.841   2.046
  570   1HD   LYS  77          2HD       LYS  77  -2.214  13.549   2.022
  571   2HD   LYS  77          1HD       LYS  77  -1.729  12.278   3.145
  572   1HE   LYS  77          2HE       LYS  77  -2.950  11.562   0.486
  573   2HE   LYS  77          1HE       LYS  77  -1.236  11.957   0.600
  574   1HZ   LYS  77          1HZ       LYS  77  -2.698   9.779   1.969
  575   2HZ   LYS  77          2HZ       LYS  77  -1.150  10.281   2.458
  576   3HZ   LYS  77          3HZ       LYS  77  -1.389   9.648   0.899
  577    H    LYS  78           H        LYS  78  -5.019  12.521   7.414
  578    HA   LYS  78           HA       LYS  78  -2.671  13.933   8.637
  579   1HB   LYS  78          2HB       LYS  78  -5.632  14.529   8.808
  580   2HB   LYS  78          1HB       LYS  78  -4.451  15.232   9.913
  581   1HG   LYS  78          2HG       LYS  78  -3.353  16.412   8.185
  582   2HG   LYS  78          1HG       LYS  78  -4.082  15.417   6.924
  583   1HD   LYS  78          2HD       LYS  78  -6.189  16.455   7.151
  584   2HD   LYS  78          1HD       LYS  78  -5.792  17.114   8.738
  585   1HE   LYS  78          2HE       LYS  78  -5.750  18.768   6.778
  586   2HE   LYS  78          1HE       LYS  78  -4.319  18.738   7.809
  587   1HZ   LYS  78          1HZ       LYS  78  -4.441  18.309   5.072
  588   2HZ   LYS  78          2HZ       LYS  78  -4.067  16.807   5.771
  589   3HZ   LYS  78          3HZ       LYS  78  -3.087  18.159   6.082
  590    H    ASP  79           H        ASP  79  -4.268  11.098   8.858
  591    HA   ASP  79           HA       ASP  79  -3.553  10.830  11.708
  592   1HB   ASP  79          2HB       ASP  79  -6.046  11.601  11.404
  593   2HB   ASP  79          1HB       ASP  79  -6.315   9.924  10.932
  594    HA   PRO  80           HA       PRO  80  -2.807   7.145   8.901
  595   1HB   PRO  80          2HB       PRO  80  -0.173   7.001  10.055
  596   2HB   PRO  80          1HB       PRO  80  -0.615   7.399   8.393
  597   1HG   PRO  80          2HG       PRO  80   0.425   9.162  10.377
  598   2HG   PRO  80          1HG       PRO  80  -0.110   9.576   8.746
  599   1HD   PRO  80          2HD       PRO  80  -1.420  10.155  11.279
  600   2HD   PRO  80          1HD       PRO  80  -1.880  10.695   9.645
  601    H    GLY  81           H        GLY  81  -2.689   7.826  12.274
  602   1HA   GLY  81          2HA       GLY  81  -2.257   4.995  13.029
  603   2HA   GLY  81          1HA       GLY  81  -2.416   6.350  14.147
  604    H    LYS  82           H        LYS  82  -4.796   6.578  11.801
  605    HA   LYS  82           HA       LYS  82  -6.735   4.918  13.343
  606   1HB   LYS  82          2HB       LYS  82  -6.919   7.877  12.759
  607   2HB   LYS  82          1HB       LYS  82  -8.356   6.907  13.075
  608   1HG   LYS  82          2HG       LYS  82  -6.043   6.718  14.981
  609   2HG   LYS  82          1HG       LYS  82  -7.099   8.127  15.065
  610   1HD   LYS  82          2HD       LYS  82  -9.063   6.623  15.279
  611   2HD   LYS  82          1HD       LYS  82  -7.981   5.230  15.258
  612   1HE   LYS  82          2HE       LYS  82  -8.620   5.922  17.574
  613   2HE   LYS  82          1HE       LYS  82  -6.881   5.999  17.293
  614   1HZ   LYS  82          1HZ       LYS  82  -8.359   8.410  16.657
  615   2HZ   LYS  82          2HZ       LYS  82  -6.864   8.224  17.442
  616   3HZ   LYS  82          3HZ       LYS  82  -8.312   8.007  18.304
  617    H    THR  83           H        THR  83  -8.294   3.976  12.041
  618    HA   THR  83           HA       THR  83  -7.842   4.056   9.168
  619    HB   THR  83           HB       THR  83  -9.775   2.474   9.094
  620    HG1  THR  83           1HG      THR  83 -10.779   3.502  10.974
  621   1HG2  THR  83          1HG2      THR  83  -7.538   2.017  11.071
  622   2HG2  THR  83          2HG2      THR  83  -7.652   1.454   9.404
  623   3HG2  THR  83          3HG2      THR  83  -8.684   0.745  10.646
  624    H    CYS  84           H        CYS  84  -9.408   4.752   7.580
  625    HA   CYS  84           HA       CYS  84 -10.996   7.074   8.507
  626   1HB   CYS  84          2HB       CYS  84  -9.423   7.026   6.432
  627   2HB   CYS  84          1HB       CYS  84 -10.750   6.175   5.641
  628    H    ASP  85           H        ASP  85 -12.986   7.057   6.512
  629    HA   ASP  85           HA       ASP  85 -14.900   5.245   7.712
  630   1HB   ASP  85          2HB       ASP  85 -15.372   7.545   6.680
  631   2HB   ASP  85          1HB       ASP  85 -15.269   6.743   5.112
  632    H    VAL  86           H        VAL  86 -15.654   3.294   6.940
  633    HA   VAL  86           HA       VAL  86 -14.578   2.324   4.320
  634    HB   VAL  86           HB       VAL  86 -14.929   0.513   6.709
  635   1HG1  VAL  86          1HG1      VAL  86 -13.300   0.392   4.153
  636   2HG1  VAL  86          2HG1      VAL  86 -14.719  -0.580   4.546
  637   3HG1  VAL  86          3HG1      VAL  86 -13.218  -0.809   5.441
  638   1HG2  VAL  86          1HG2      VAL  86 -13.365   2.116   7.530
  639   2HG2  VAL  86          2HG2      VAL  86 -12.558   2.239   5.966
  640   3HG2  VAL  86          3HG2      VAL  86 -12.387   0.774   6.934
  641    H    THR  87           H        THR  87 -15.901   0.353   3.565
  642    HA   THR  87           HA       THR  87 -18.691   0.376   4.588
  643    HB   THR  87           HB       THR  87 -18.094   0.666   1.636
  644    HG1  THR  87           1HG      THR  87 -18.307   2.544   3.666
  645   1HG2  THR  87          1HG2      THR  87 -20.272  -0.345   2.397
  646   2HG2  THR  87          2HG2      THR  87 -20.455   1.143   1.469
  647   3HG2  THR  87          3HG2      THR  87 -20.623   1.172   3.224
  648    H    GLY  88           H        GLY  88 -16.346  -1.049   2.334
  649   1HA   GLY  88          2HA       GLY  88 -16.654  -3.701   3.181
  650   2HA   GLY  88          1HA       GLY  88 -17.852  -3.472   1.906
  651    H    TRP  89           H        TRP  89 -16.490  -5.117   0.755
  652    HA   TRP  89           HA       TRP  89 -14.401  -3.724  -0.837
  653   1HB   TRP  89          2HB       TRP  89 -13.834  -6.544   0.000
  654   2HB   TRP  89          1HB       TRP  89 -12.709  -5.243  -0.393
  655    HD1  TRP  89           HD       TRP  89 -12.801  -3.119   1.492
  656    HE1  TRP  89           1HE      TRP  89 -12.820  -3.332   4.061
  657    HE3  TRP  89           3HE      TRP  89 -14.413  -7.942   1.963
  658    HZ2  TRP  89           2HZ      TRP  89 -13.436  -5.291   6.052
  659    HZ3  TRP  89           3HZ      TRP  89 -14.707  -8.955   4.206
  660    HH2  TRP  89           HH       TRP  89 -14.221  -7.637   6.249
  661    H    VAL  90           H        VAL  90 -13.868  -5.037  -2.836
  662    HA   VAL  90           HA       VAL  90 -15.953  -7.001  -3.601
  663    HB   VAL  90           HB       VAL  90 -15.438  -4.411  -5.087
  664   1HG1  VAL  90          1HG1      VAL  90 -15.676  -6.087  -6.760
  665   2HG1  VAL  90          2HG1      VAL  90 -17.278  -5.367  -6.598
  666   3HG1  VAL  90          3HG1      VAL  90 -16.932  -6.925  -5.848
  667   1HG2  VAL  90          1HG2      VAL  90 -16.984  -4.107  -3.249
  668   2HG2  VAL  90          2HG2      VAL  90 -17.858  -5.577  -3.679
  669   3HG2  VAL  90          3HG2      VAL  90 -17.929  -4.169  -4.736
  670    H    LEU  91           H        LEU  91 -15.186  -8.481  -5.119
  671    HA   LEU  91           HA       LEU  91 -12.348  -8.701  -5.464
  672   1HB   LEU  91          2HB       LEU  91 -14.563 -10.049  -7.041
  673   2HB   LEU  91          1HB       LEU  91 -12.880 -10.570  -6.976
  674    HG   LEU  91           HG       LEU  91 -14.467 -10.263  -4.431
  675   1HD1  LEU  91          1HD1      LEU  91 -14.898 -12.772  -4.671
  676   2HD1  LEU  91          2HD1      LEU  91 -14.509 -12.575  -6.380
  677   3HD1  LEU  91          3HD1      LEU  91 -15.883 -11.718  -5.684
  678   1HD2  LEU  91          1HD2      LEU  91 -12.062 -10.599  -4.212
  679   2HD2  LEU  91          2HD2      LEU  91 -12.119 -11.976  -5.312
  680   3HD2  LEU  91          3HD2      LEU  91 -12.885 -12.081  -3.728