*HEADER    ELECTRON TRANSPORT                      26-NOV-13   2MHM              
*TITLE     SOLUTION STRUCTURE OF CYTOCHROME C Y67H                               
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CYTOCHROME C ISO-1;                                        
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE;                       
*SOURCE   3 ORGANISM_COMMON: YEAST;                                              
*SOURCE   4 ORGANISM_TAXID: 559292;                                              
*SOURCE   5 STRAIN: S288C;                                                       
*SOURCE   6 GENE: CYC1, J1653, YJR048W;                                          
*SOURCE   7 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   8 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   9 EXPRESSION_SYSTEM_STRAIN: BL21;                                      
*SOURCE  10 EXPRESSION_SYSTEM_VECTOR_TYPE: VECTOR;                               
*SOURCE  11 EXPRESSION_SYSTEM_VECTOR: PBTR2                                      
*KEYWDS    Y67H, HYDROGEN-BOND, H2O2, GUAIACOL, PEROXIDATION, ELECTRON TRANSPORT 
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    W.X.LAN, Z.H.WANG, Z.Z.YANG, T.L.YING, H.M.WU, X.S.TAN, C.Y.CAO,      
*AUTHOR   2 Z.X.HUANG                                                            
*REVDAT   1   29-OCT-14 2MHM    0                                                





!Phe-3

! intra

assign (resid -3 and name HB#) (resid -3 and name HN) 1.8 0.0 1.1

assign (resid -3 and name HB1) (resid -3 and name HD#) 1.8 0.0 1.1
assign (resid -3 and name HB2) (resid -3 and name HD#) 1.8 0.0 1.1

assign (resid -3 and name HA) (resid -3 and name HD#) 1.8 0.0 3.2

assign (resid -3 and name HA) (resid -3 and name HN) 1.8 0.0 1.7  

assign (resid -3 and name HB1) (resid -3 and name HE#) 1.8 0.0 3.2
assign (resid -3 and name HB2) (resid -3 and name HE#) 1.8 0.0 3.2

!inter

! assign (resid -3 and name HD#) (resid 94 and name HA) 1.8 0.0 4.2   # possible

!assign (resid -3 and name HA) (resid 6 and name HA#) 1.8 0.0 4.2

assign (resid -3 and name HA) (resid 92 and name HD2#) 1.8 0.0 3.2  

assign (resid -4 and name HG#) (resid -3 and name HN) 1.8 0.0 3.2  
assign (resid -4 and name HB#) (resid -3 and name HN) 1.8 0.0 3.2  

!assign (resid 64 and name HA) (resid -3 and name HD#) 1.8 0.0 4.2  

assign (resid 99 and name HG#) (resid -3 and name HE#) 1.8 0.0 3.2 

assign (resid -3 and name HZ) (resid 1 and name HN) 1.8 0.0 3.2   

assign (resid -3 and name HB#) (resid -2 and name HN) 1.8 0.0 3.2  !0906  


!Lys-2

assign (resid -2 and name HA) (resid -2 and name HN) 1.8 0.0 3.2

assign (resid -2 and name HB#) (resid -2 and name HN) 1.8 0.0 3.2

assign (resid -2 and name HD#) (resid -2 and name HN) 1.8 0.0 3.5

assign (resid -2 and name HE1) (resid -2 and name HN) 1.8 0.0 3.5
assign (resid -2 and name HE2) (resid -2 and name HN) 1.8 0.0 3.2

assign (resid -2 and name HG#) (resid -2 and name HN) 1.8 0.0 3.2

assign (resid -2 and name HB#) (resid -2 and name HA) 1.8 0.0 3.2

assign (resid -2 and name HD#) (resid -2 and name HA) 1.8 0.0 3.2

assign (resid -2 and name HE1) (resid -2 and name HA) 1.8 0.0 3.2
assign (resid -2 and name HE2) (resid -2 and name HA) 1.8 0.0 3.2

assign (resid -2 and name HE1) (resid -2 and name HB#) 1.8 0.0 3.2
assign (resid -2 and name HE2) (resid -2 and name HB#) 1.8 0.0 3.2

! inter

assign (resid -2 and name HA) (resid -1 and name HN) 1.8 0.0 3.2

assign (resid -2 and name HB1) (resid 92 and name HD2#) 1.8 0.0 3.2
assign (resid -2 and name HB2) (resid 92 and name HD2#) 1.8 0.0 3.5

assign (resid -2 and name HN) (resid 92 and name HD21) 1.8 0.0 1.7
assign (resid -2 and name HN) (resid 92 and name HD22) 1.8 0.0 1.7


assign (resid -2 and name HD#) (resid -1 and name HN) 1.8 0.0 3.2

assign (resid -2 and name HG#) (resid -1 and name HN) 1.8  0.0  3.2

assign (resid -2 and name HG#) (resid 2 and name HN) 1.8  0.0  4.5  
assign (resid -2 and name HN) (resid -1 and name HN) 1.8 0.0 3.2



!Ala-1

! intra

assign (resid -1 and name HA) (resid -1 and name HN) 1.8 0.0 1.1

assign (resid -1 and name HB#) (resid -1 and name HN) 1.8 0.0 1.1
assign (resid -1 and name HB#) (resid -1 and name HA) 1.8 0.0 1.1


! inter

assign (resid -1 and name HA)  (resid -3 and name HE#) 1.8 0.0 3.2

assign (resid -1 and name HA)  (resid -3 and name HZ) 1.8 0.0 4.2

assign (resid -1 and name HB#) (resid -3 and name HE#) 1.8 0.0 3.2

assign (resid -1 and name HB#) (resid -3 and name HZ) 1.8 0.0 4.2

assign (resid -1 and name HB#) (resid 1 and name HN) 1.8 0.0 1.7

!assign (resid -1 and name HA)  (resid 93 and name HN) 1.8 0.0 4.2   












!Gly1

!intra
assign (resid 1 and name HA1) (resid 1 and name HN) 1.8 0.0 3.2
assign (resid 1 and name HA2) (resid 1 and name HN) 1.8 0.0 3.2  

!inter
assign (resid 1 and name HN) (resid 2 and name HN) 1.8 0.0 3.2

assign (resid 1 and name HA1) (resid 2 and name HN) 1.8 0.0 3.2
assign (resid 1 and name HA2) (resid 2 and name HN) 1.8 0.0 3.2

assign (resid 1 and name HA1) (resid -3 and name HZ) 1.8 0.0 3.5
assign (resid 1 and name HA2) (resid -3 and name HE#) 1.8 0.0 3.2






!Ser2

! intra

assign (resid 2 and name HA) (resid 2 and name HN) 1.8 0.0 3.2

assign (resid 2 and name HB1) (resid 2 and name HN) 1.8 0.0 3.2
assign (resid 2 and name HB2) (resid 2 and name HN) 1.8 0.0 3.2



! inter

assign (resid 2 and name HB#) (resid 3 and name HN) 1.8 0.0 3.2

!assign (resid 2 and name HN) (resid 97 and (name HB1 or name HB2)) 1.8 0.0 4.2  








!A3

assign (resid 3 and name HA) (resid 3 and name HN) 1.8 0.0 3.2

assign (resid 3 and name HB#) (resid 3 and name HN) 1.8  0.0  1.1
assign (resid 3 and name HB#) (resid 3 and name HA) 1.8  0.0  1.1

! inter

assign (resid 3 and name HN) (resid 2 and name HN) 1.8 0.0 4.2

assign (resid 3 and name HN) (resid 93 and name HB#) 1.8 0.0 3.2    

assign (resid 3 and name HA) (resid 2 and name HN) 1.8 0.0 4.2

assign (resid 3 and name HA) (resid 4 and name HN) 1.8 0.0 1.7

assign (resid 3 and name HA) (resid 5 and name HN) 1.8 0.0 3.2  

assign (resid 3 and name HA) (resid 6 and name HN) 1.8 0.0 4.2  

assign (resid 3 and name HA) (resid 96 and name HB) 1.8 0.0 5.0

assign (resid 3 and name HA) (resid 96 and name HG2#) 1.8 0.0 4.2

assign (resid 3 and name HB#) (resid 4 and name HN) 1.8 0.0 1.7








!Lys4

!intra
assign (resid 4 and name HA) (resid 4 and name HN) 1.8 0.0 3.2  

assign (resid 4 and name HB1) (resid 4 and name HN) 1.8 0.0 3.2  
assign (resid 4 and name HB2) (resid 4 and name HN) 1.8 0.0 1.7  

assign (resid 4 and name HB1) (resid 4 and name HA) 1.8 0.0 1.7  
assign (resid 4 and name HB2) (resid 4 and name HA) 1.8 0.0 1.7  


!inter

assign (resid 4 and name HA) (resid 5 and name HN) 1.8 0.0 3.2  

assign (resid 4 and name HB1) (resid 5 and name HN) 1.8 0.0 3.2 
assign (resid 4 and name HB2) (resid 5 and name HN) 1.8 0.0 3.2 

assign (resid 4 and name HN) (resid 5 and name HN) 1.8 0.0 3.2 

assign (resid 4 and name HA) (resid 6 and name HN) 1.8 0.0 4.2  

assign (resid 4 and name HA) (resid 7 and name HB#) 1.8 0.0 4.2  



!Lys5

!intra

assign (resid 5 and name HA) (resid 5 and name HN) 1.8 0.0 1.7 

assign (resid 5 and name HB#) (resid 5 and name HN) 1.8 0.0 1.7 

assign (resid 5 and name HD#) (resid 5 and name HN) 1.8 0.0 3.2 


!inter

assign (resid 5 and name HA) (resid 8 and name HN) 1.8 0.0 3.2 

assign (resid 5 and name HN) (resid 6 and name HN) 1.8 0.0 1.7 

assign (resid 5 and name HA) (resid 6 and name HN) 1.8 0.0 3.2 






!Gly6

! intra

assign (resid 6 and name HA1) (resid 6 and name HN) 1.8 0.0 3.2
assign (resid 6 and name HA2) (resid 6 and name HN) 1.8 0.0 3.2


! inter

assign (resid 6 and name HA1) (resid 7 and name HN) 1.8 0.0 3.2
assign (resid 6 and name HA2) (resid 7 and name HN) 1.8 0.0 3.2


assign (resid 6 and name HA#) (resid 8 and name HN) 1.8 0.0 3.2  

assign (resid 6 and name HA#) (resid 9 and name HD1# ) 1.8 0.0 3.2  
assign (resid 6 and name HA#) (resid 9 and name HD2# ) 1.8 0.0 3.2  

assign (resid 6 and name HN) (resid 9 and name HN) 1.8 0.0 3.2   

assign (resid 6 and name HN) (resid 8 and name HN) 1.8 0.0 3.2   

assign (resid 6 and name HA#) (resid 9 and name HN) 1.8 0.0 3.2

assign (resid 6 and name HA#) (resid 10 and name HN) 1.8 0.0 3.2

assign (resid 6 and name HN) (resid 93 and name HN) 1.8 0.0 3.2  

assign (resid 6 and name HA#) (resid 94 and name HA) 1.8 0.0 3.2

!assign (resid 6 and name HA#) (resid 94 and (name HD1# or name HD2#)) 1.8 0.0 3.2 !repeat










!A7

! intra

assign (resid 7 and name HA) (resid 7 and name HN) 1.8 0.0 1.1

assign (resid 7 and name HB#) (resid 7 and name HN) 1.8 0.0 1.1

assign (resid 7 and name HA) (resid 7 and name HB#) 1.8 0.0 1.1

! inter

assign (resid 7 and name HN) (resid 6 and name HN) 1.8 0.0 1.7

assign (resid 7 and name HA) (resid 9 and name HN) 1.8 0.0 3.2

assign (resid 7 and name HA) (resid 8 and name HN) 1.8 0.0 1.7

assign (resid 7 and name HA) (resid 10 and name HN) 1.8 0.0 3.2

assign (resid 7 and name HA) (resid 11 and name HN) 1.8 0.0 3.2   

assign (resid 7 and name HA) (resid 10 and name HB1) 1.8 0.0 3.2
assign (resid 7 and name HA) (resid 10 and name HB2) 1.8 0.0 3.2

assign (resid 7 and name HB#) (resid 8 and name HA) 1.8 0.0 3.2

assign (resid 7 and name HB#) (resid 8 and name HN) 1.8 0.0 1.1

assign (resid 7 and name HN) (resid 97 and name HA) 1.8 0.0 4.2   





!Thr8

!intra

assign (resid 8 and name HA) (resid 8 and name HN) 1.8 0.0 1.1

assign (resid 8 and name HB) (resid 8 and name HN) 1.8 0.0 1.7

assign (resid 8 and name HG2#) (resid 8 and name HN) 1.8 0.0 1.7

assign (resid 8 and name HG2#) (resid 8 and name HA) 1.8 0.0 1.1  

assign (resid 8 and name HG2#) (resid 8 and name HB) 1.8 0.0 1.1  

! inter

assign (resid 8 and name HN) (resid 7 and name HN) 1.8 0.0 1.1

assign (resid 8 and name HN) (resid 9 and name HN) 1.8 0.0 1.1

assign (resid 8 and name HN) (resid 10 and name HN) 1.8 0.0 3.2

assign (resid 8 and name HA) (resid 7 and name HN) 1.8 0.0 4.2

assign (resid 8 and name HA) (resid 9 and name HN) 1.8 0.0 3.2

assign (resid 8 and name HA) (resid 10 and name HN) 1.8 0.0 3.2

assign (resid 8 and name HN) (resid 11 and (name HB1 or name HB2)) 1.8 0.0 3.2  

assign (resid 8 and name HA) (resid 11 and name HN) 1.8 0.0 3.2

assign (resid 8 and name HB) (resid 9 and name HN) 1.8 0.0 3.2

assign (resid 8 and name HG2#) (resid 9 and name HN) 1.8 0.0 3.2

assign (resid 8 and name HG2#) (resid 11 and name HN) 1.8 0.0 3.2

assign (resid 8 and name HN) (resid 12 and name HG2#) 1.8 0.0 3.5      




!Leu9

! intra

assign (resid 9 and name HA) (resid 9 and name HN) 1.8 0.0 1.7

assign (resid 9 and name HB#) (resid 9 and name HN) 1.8 0.0 1.1

assign (resid 9 and name HG) (resid 9 and name HN) 1.8 0.0 3.2

assign (resid 9 and name HD1#) (resid 9 and name HN) 1.8 0.0 3.2
assign (resid 9 and name HD2#) (resid 9 and name HN) 1.8 0.0 3.2

assign (resid 9 and name HD1#) (resid 9 and name HA) 1.8 0.0 1.7
assign (resid 9 and name HD2#) (resid 9 and name HA) 1.8 0.0 3.2

assign (resid 9 and name HD1#) (resid 9 and name HB#) 1.8 0.0 1.7
assign (resid 9 and name HD2#) (resid 9 and name HB#) 1.8 0.0 1.7

! inter

assign (resid 9 and name HN) (resid 10 and name HN) 1.8 0.0 1.7

assign (resid 9 and name HN) (resid 11 and name HN) 1.8 0.0 3.2

assign (resid 9 and name HN) (resid 94 and name HD1#) 1.8 0.0 3.2    
assign (resid 9 and name HN) (resid 94 and name HD2#) 1.8 0.0 4.5    


assign (resid 9 and name HN) (resid 94 and name HA) 1.8 0.0 4.2 


assign (resid 9 and name HA) (resid 11 and name HN) 1.8 0.0 3.2  
assign (resid 9 and name HA) (resid 10 and name HN) 1.8 0.0 1.7

assign (resid 9 and name HA) (resid 12 and name HN) 1.8 0.0 3.2


assign (resid 9 and name HB#) (resid 10 and name HN) 1.8 0.0 1.1


assign (resid 9 and name HG) (resid 10 and name HN) 1.8 0.0 3.2

assign (resid 9 and name HD1#) (resid 10 and name HN) 1.8 0.0 3.2
assign (resid 9 and name HD2#) (resid 10 and name HN) 1.8 0.0 3.2

assign (resid 9 and name HD2#) (resid 90 and name HB2) 1.8 0.0 3.2  
assign (resid 9 and name HD1#) (resid 90 and name HB2) 1.8 0.0 3.2  
assign (resid 9 and (name HD1# or name HD2#)) (resid 90 and name HB1) 1.8 0.0 3.2  



assign (resid 9 and name HD1#) (resid 94 and name HN) 1.8 0.0 4.2  
assign (resid 9 and name HD2#) (resid 94 and name HN) 1.8 0.0 4.2  

assign (resid 9 and name HD1#) (resid 13 and name HB1) 1.8 0.0 4.2  
assign (resid 9 and name HD2#) (resid 13 and name HB1) 1.8 0.0 4.2
assign (resid 9 and (name HD1# or name HD2#)) (resid 13 and name HB2) 1.8 0.0 3.2  
  

assign (resid 9 and name HD1#) (resid 94 and name HD1#) 1.8 0.0 3.2
assign (resid 9 and name HD2#) (resid 94 and name HD1#) 1.8 0.0 3.2
   


!Phe10

! intra

assign (resid 10 and name HA) (resid 10 and name HN) 1.8 0.0 1.7

assign (resid 10 and name HB1) (resid 10 and name HN) 1.8 0.0 1.7
assign (resid 10 and name HB2) (resid 10 and name HN) 1.8 0.0 1.7

assign (resid 10 and name HA) (resid 10 and name HD#) 1.8 0.0 3.2  

assign (resid 10 and (name HB1 or name HB2)) (resid 10 and name HD#) 1.8 0.0 3.2  



! inter

assign (resid 10 and name HN) (resid 9 and name HN) 1.8 0.0 1.7

assign (resid 10 and name HN) (resid 12 and name HN) 1.8 0.0 3.2

assign (resid 10 and name HN) (resid 13 and name HN) 1.8 0.0 3.2


assign (resid 10 and name HA) (resid 11 and name HN) 1.8 0.0 3.2

assign (resid 10 and name HA) (resid 13 and name HN) 1.8 0.0 3.2

assign (resid 10 and name HA) (resid 14 and name HN) 1.8 0.0 3.2

assign (resid 10 and name HA) (resid 14 and name HB1) 1.8 0.0 1.7   
assign (resid 10 and name HA) (resid 14 and name HB2) 1.8 0.0 1.7   

assign (resid 10 and name HA) (resid 15 and name HN) 1.8 0.0 3.2



assign (resid 10 and name HB1) (resid 11 and name HN) 1.8 0.0 3.2
assign (resid 10 and name HB2) (resid 11 and name HN) 1.8 0.0 3.2


assign (resid 10 and name HZ) (resid 20 and name HG#) 1.8 0.0 1.1   

assign (resid 10 and name HZ) (resid 20 and name HB) 1.8 0.0 3.2   


assign (resid 10 and name HZ) (resid 15 and name HD1#) 1.8 0.0 3.2   
assign (resid 10 and name HZ) (resid 15 and name HD2#) 1.8 0.0 4.2   

assign (resid 10 and name HZ) (resid 32 and name HD1#) 1.8 0.0 4.2   
assign (resid 10 and name HZ) (resid 32 and name HD2#) 1.8 0.0 3.2   

assign (resid 10 and name HZ) (resid 18 and name HB1) 1.8 0.0 1.7   
assign (resid 10 and name HZ) (resid 18 and name HB2) 1.8 0.0 1.7   

assign (resid 10 and name HZ) (resid 18 and name HA) 1.8 0.0 3.5   

assign (resid 10 and name HZ) (resid 19 and name HA) 1.8 0.0 3.2   

assign (resid 10 and name HZ) (resid 104 and name HBB#) 1.8 0.0 4.2   


assign (resid 10 and name HD#) (resid 15 and name HN) 1.8 0.0 3.2  

assign (resid 10 and name HE#) (resid 98 and name HD#) 1.8 0.0 3.2   




!Lys11

! intra

assign (resid 11 and name HB1) (resid 11 and name HN) 1.8 0.0 1.1
assign (resid 11 and name HB2) (resid 11 and name HN) 1.8 0.0 1.1

assign (resid 11 and name HG#) (resid 11 and name HN) 1.8 0.0 3.2  

assign (resid 11 and name HE#) (resid 11 and name HN) 1.8 0.0 4.2  

assign (resid 11 and name HA) (resid 11 and name HN) 1.8 0.0 1.7  

assign (resid 11 and name HB1) (resid 11 and name HA) 1.8 0.0 1.7
assign (resid 11 and name HB2) (resid 11 and name HA) 1.8 0.0 1.7

assign (resid 11 and name HA) (resid 11 and name HE#) 1.8 0.0 3.2  

! inter

assign (resid 11 and name HN) (resid 10 and name HN) 1.8 0.0 1.1

assign (resid 11 and name HB1) (resid 8 and name HA) 1.8 0.0 1.1
assign (resid 11 and name HB2) (resid 8 and name HA) 1.8 0.0 1.1


assign (resid 11 and name HB1) (resid 12 and name HN) 1.8 0.0 1.7
assign (resid 11 and name HB2) (resid 12 and name HN) 1.8 0.0 3.2

assign (resid 11 and name HA) (resid 12 and name HN) 1.8 0.0 1.7  

assign (resid 11 and name HA) (resid 15 and name HN) 1.8 0.0 1.7  

assign (resid 11 and name HA) (resid 15 and name HB1) 1.8 0.0 3.2  
assign (resid 11 and name HA) (resid 15 and name HB2) 1.8 0.0 1.7  



!Thr12

! intra

assign (resid 12 and name HN) (resid 12 and name HA) 1.8 0.0 1.7

assign (resid 12 and name HB) (resid 12 and name HN) 1.8 0.0 3.2

assign (resid 12 and name HB) (resid 12 and name HA) 1.8 0.0 3.2

assign (resid 12 and name HG2#) (resid 12 and name HN) 1.8 0.0 1.1

assign (resid 12 and name HB) (resid 12 and name HG2#) 1.8 0.0 1.7


! inter

assign (resid 12 and name HN) (resid 11 and name HN) 1.8 0.0 1.1

assign (resid 12 and name HB) (resid 13 and name HN) 1.8 0.0 3.2   

assign (resid 12 and name HN) (resid 13 and name HN) 1.8 0.0 1.1

assign (resid 12 and name HG2#) (resid 8 and name HB) 1.8 0.0 1.7

assign (resid 12 and name HG2#) (resid 13 and name HN) 1.8 0.0 3.2








!Arg13

! intra

assign (resid 13 and name HB#) (resid 13 and name HN) 1.8 0.0 1.7

assign (resid 13 and name HG1) (resid 13 and name HN) 1.8 0.0 3.2  
assign (resid 13 and name HG2) (resid 13 and name HN) 1.8 0.0 3.2  

assign (resid 13 and name HA) (resid 13 and name HN) 1.8 0.0 1.1

assign (resid 13 and name HA) (resid 13 and name HB#) 1.8 0.0 1.1

assign (resid 13 and name HG1) (resid 13 and name HA) 1.8 0.0 3.2  
assign (resid 13 and name HG2) (resid 13 and name HA) 1.8 0.0 3.2  


! inter

assign (resid 13 and name HN) (resid 12 and name HA) 1.8 0.0 3.2


assign (resid 13 and name HA) (resid 15 and name HN) 1.8 0.0 3.2

assign (resid 13 and name HA) (resid 14 and name HN) 1.8 0.0 3.2


assign (resid 13 and name HB#) (resid 9 and name HA) 1.8 0.0 3.5

assign (resid 13 and name HB#) (resid 14 and name HN) 1.8 0.0 3.2


assign (resid 13 and name HB1) (resid 82 and name HE#) 1.8 0.0 3.2
assign (resid 13 and name HB2) (resid 82 and name HE#) 1.8 0.0 3.2

assign (resid 13 and name HB1) (resid 82 and name HZ) 1.8 0.0 3.5
assign (resid 13 and name HB2) (resid 82 and name HZ) 1.8 0.0 3.2

assign (resid 13 and name HB1) (resid 104 and name HBB#) 1.8 0.0 4.2
assign (resid 13 and name HB2) (resid 104 and name HBB#) 1.8 0.0 4.2


assign (resid 13 and (name HG1 or name HG2)) (resid 14 and name HN) 1.8 0.0 3.2 








!Cys14

! intra

assign (resid 14 and name HA) (resid 14 and name HN) 1.8  0.0  1.1

assign (resid 14 and name HB1) (resid 14 and name HN) 1.8 0.0 3.2
assign (resid 14 and name HB2) (resid 14 and name HN) 1.8 0.0 3.2

assign (resid 14 and name HB1) (resid 14 and name HA) 1.8 0.0 3.2
assign (resid 14 and name HB2) (resid 14 and name HA) 1.8 0.0 3.2


! inter

assign (resid 14 and name HN) (resid 13 and name HN) 1.8 0.0 1.1

assign (resid 14 and name HN) (resid 15 and name HN) 1.8 0.0 3.2

assign (resid 14 and name HA) (resid 15 and name HN) 1.8  0.0  1.7  

assign (resid 14 and name HA) (resid 16 and name HN) 1.8  0.0  3.2 

!assign (resid 14 and name HB2) (resid 18 and name HB1) 1.8 0.0 4.2    
assign (resid 14 and name HB1) (resid 18 and name HB1) 1.8 0.0 4.2    

assign (resid 14 and name HA) (resid 98 and name HD#) 1.8 0.0 5.0

assign (resid 14 and name HA) (resid 104 and name HBB#) 1.8 0.0 3.2

assign (resid 14 and name HA) (resid 104 and name HMC#) 1.8 0.0 3.2  

assign (resid 14 and name HA) (resid 104 and name HAB) 1.8 0.0 3.2

assign (resid 14 and name HB1) (resid 15 and name HA) 1.8 0.0 4.2
assign (resid 14 and name HB2) (resid 15 and name HA) 1.8 0.0 4.2   

assign (resid 14 and name HB1) (resid 104 and name HBB#) 1.8 0.0 3.2
assign (resid 14 and name HB2) (resid 104 and name HBB#) 1.8 0.0 3.2  

assign (resid 14 and name HB1) (resid 104 and name HC) 1.8 0.0 3.5  
assign (resid 14 and name HB2) (resid 104 and name HC) 1.8 0.0 3.2  



!Leu15

! intra

assign (resid 15 and name HD1#) (resid 15 and name HN) 1.8 0.0 3.2
assign (resid 15 and name HD2#) (resid 15 and name HN) 1.8 0.0 3.2

assign (resid 15 and name HD1#) (resid 15 and name HB1) 1.8 0.0 3.2
assign (resid 15 and name HD2#) (resid 15 and name HB1) 1.8 0.0 3.2
assign (resid 15 and name HD1#) (resid 15 and name HB2) 1.8 0.0 3.2
assign (resid 15 and name HD2#) (resid 15 and name HB2) 1.8 0.0 3.2

assign (resid 15 and name HB1) (resid 15 and name HN) 1.8 0.0 1.7  
assign (resid 15 and name HB2) (resid 15 and name HN) 1.8 0.0 1.7   

assign (resid 15 and name HB1) (resid 15 and name HA) 1.8 0.0 1.7  
assign (resid 15 and name HB2) (resid 15 and name HA) 1.8 0.0 1.7   

assign (resid 15 and name HG) (resid 15 and name HA) 1.8 0.0 1.7   

assign (resid 15 and name HG) (resid 15 and name HN) 1.8 0.0 3.2   


assign (resid 15 and name HA) (resid 15 and name HD1#) 1.8 0.0 1.7
assign (resid 15 and name HA) (resid 15 and name HD2#) 1.8 0.0 3.2

assign (resid 15 and name HA) (resid 15 and name HN) 1.8 0.0 3.2


! inter

assign (resid 15 and name HA) (resid 16 and name HN) 1.8 0.0 3.2

assign (resid 15 and name HA) (resid 17 and name HN) 1.8 0.0 5.0

assign (resid 15 and name HA) (resid 18 and name HN) 1.8 0.0 3.2

assign (resid 15 and name HD1#) (resid 18 and name HN) 1.8 0.0 4.2    
assign (resid 15 and name HD2#) (resid 18 and name HN) 1.8 0.0 4.5    




assign (resid 15 and name HA) (resid 18 and (name HB1 or name HB2)) 1.8 0.0 3.2  


assign (resid 15 and name HN) (resid 16 and name HN) 1.8 0.0 1.7  


assign (resid 15 and name HD1#) (resid 16 and name HN) 1.8 0.0 3.5
assign (resid 15 and name HD2#) (resid 16 and name HN) 1.8 0.0 3.2

assign (resid 15 and name HB1) (resid 16 and name HN) 1.8 0.0 3.2  
assign (resid 15 and name HB2) (resid 16 and name HN) 1.8 0.0 3.2   

assign (resid 15 and name HG) (resid 16 and name HN) 1.8 0.0 4.2   

assign (resid 15 and name HD1#) (resid 19 and name HA) 1.8 0.0 1.7  
assign (resid 15 and name HD2#) (resid 19 and name HA) 1.8 0.0 3.2   









!Gln16

! intra

assign (resid 16 and name HA) (resid 16 and name HN) 1.8 0.0 1.7

assign (resid 16 and name HB1) (resid 16 and name HN) 1.8 0.0 3.2
assign (resid 16 and name HB2) (resid 16 and name HN) 1.8 0.0 3.2

assign (resid 16 and name HG1) (resid 16 and name HN) 1.8 0.0 3.2
assign (resid 16 and name HG2) (resid 16 and name HN) 1.8 0.0 3.2

assign (resid 16 and name HG1) (resid 16 and name HE21) 1.8 0.0 3.2  
assign (resid 16 and name HG2) (resid 16 and name HE21) 1.8 0.0 3.2  
assign (resid 16 and name HG1) (resid 16 and name HE22) 1.8 0.0 3.2  
assign (resid 16 and name HG2) (resid 16 and name HE22) 1.8 0.0 3.2  

assign (resid 16 and name HN) (resid 16 and (name HE21 or name HE22)) 1.8 0.0 3.2  


! inter
assign (resid 16 and name HA) (resid 17 and name HN) 1.8 0.0 3.2

assign (resid 16 and name HB1) (resid 17 and name HN) 1.8 0.0 3.2
assign (resid 16 and name HB2) (resid 17 and name HN) 1.8 0.0 3.2

assign (resid 16 and name HG1) (resid 17 and name HN) 1.8 0.0 3.2
assign (resid 16 and name HG2) (resid 17 and name HN) 1.8 0.0 3.2

!assign (resid 16 and name HB1) (resid 15 and name HA) 1.8 0.0 4.2
!assign (resid 16 and name HB2) (resid 15 and name HA) 1.8 0.0 4.2






!Cys17

! intra

assign (resid 17 and name HA) (resid 17 and name HN) 1.8 0.0 3.2

assign (resid 17 and name HB1) (resid 17 and name HN) 1.8 0.0 3.2
assign (resid 17 and name HB2) (resid 17 and name HN) 1.8 0.0 3.2

assign (resid 17 and name HB1) (resid 17 and name HA) 1.8 0.0 3.2
assign (resid 17 and name HB2) (resid 17 and name HA) 1.8 0.0 3.2


! inter

assign (resid 17 and name HN) (resid 16 and name HN) 1.8 0.0 3.2

assign (resid 17 and name HA) (resid 18 and name HN) 1.8 0.0 3.2

assign (resid 17 and name HB1) (resid 18 and name HN) 1.8 0.0 3.2  
assign (resid 17 and name HB2) (resid 18 and name HN) 1.8 0.0 3.2 

assign (resid 17 and name HA) (resid 19 and name HG2#) 1.8 0.0 3.5


assign (resid 17 and name HA) (resid 29 and name HA#) 1.8 0.0 3.2

assign (resid 17 and name HA) (resid 29 and name HN) 1.8 0.0 1.7  

assign (resid 17 and name HB#) (resid 29 and name HN) 1.8 0.0 3.2

assign (resid 17 and name HB1) (resid 104 and name HAC) 1.8 0.0 3.2
assign (resid 17 and name HB2) (resid 104 and name HAC) 1.8 0.0 3.2

assign (resid 17 and name HB1) (resid 28 and name HG1#) 1.8 0.0 4.2
assign (resid 17 and name HB1) (resid 28 and name HG2#) 1.8 0.0 4.2







!His18


! intra

assign (resid 18 and name HA) (resid 18 and name HN) 1.8 0.0 1.7

assign (resid 18 and name HB1) (resid 18 and name HN) 1.8 0.0 3.2
assign (resid 18 and name HB2) (resid 18 and name HN) 1.8 0.0 1.7

!assign (resid 18 and name HD2) (resid 18 and name HE1) 1.8 0.0 3.2

assign (resid 18 and name HB1) (resid 18 and name HD2) 1.8 0.0 3.2
assign (resid 18 and name HB2) (resid 18 and name HD2) 1.8 0.0 3.2

assign (resid 18 and name HB1) (resid 18 and name HA) 1.8 0.0 1.7
assign (resid 18 and name HB2) (resid 18 and name HA) 1.8 0.0 1.7


! inter

assign (resid 18 and name HN) (resid 17 and name HN) 1.8 0.0 3.2

assign (resid 18 and name HN) (resid 16 and name HN) 1.8 0.0 3.2

assign (resid 18 and name HN) (resid 19 and name HN) 1.8 0.0 3.2

assign (resid 18 and name HA) (resid 19 and name HA) 1.8 0.0 4.2

assign (resid 18 and name HA) (resid 19 and name HB) 1.8 0.0 4.2

assign (resid 18 and name HA) (resid 31 and name HA) 1.8 0.0 3.2


assign (resid 18 and name HB1) (resid 19 and name HN) 1.8 0.0 3.2
assign (resid 18 and name HB2) (resid 19 and name HN) 1.8 0.0 3.2


assign (resid 18 and (name HB1 or name HB2)) (resid 19 and name HA) 1.8 0.0 3.2

assign (resid 18 and (name HB1 or name HB2)) (resid 17 and name HA) 1.8 0.0 4.2

assign (resid 18 and (name HB1 or name HB2)) (resid 15 and name HA) 1.8 0.0 3.2

assign (resid 18 and name HB#) (resid 29 and (name HA1 or name HA2)) 1.8 0.0 3.5  



assign (resid 18 and name HB#) (resid 32 and name HN) 1.8 0.0 3.2

assign (resid 18 and name HB#) (resid 32 and name HB#) 1.8 0.0 3.2

assign (resid 18 and name HB#) (resid 32 and (name HD1# or name HD2#)) 1.8 0.0 1.7

assign (resid 18 and name HB1) (resid 104 and name HC) 1.8 0.0 5.2   !2013

assign (resid 18 and name HB2) (resid 104 and name HC) 1.8 0.0 3.2   !2013


assign (resid 18 and name HB2) (resid 98 and name HD1#) 1.8 0.0 3.2   !2013



!Thr19

! intra

assign (resid 19 and name HA) (resid 19 and name HN) 1.8 0.0 3.2

assign (resid 19 and name HB) (resid 19 and name HN) 1.8 0.0 3.2

assign (resid 19 and name HG2#) (resid 19 and name HA) 1.8 0.0 1.1  

assign (resid 19 and name HG2#) (resid 19 and name HB) 1.8 0.0 1.1

assign (resid 19 and name HG2#) (resid 19 and name HN) 1.8 0.0 3.2

assign (resid 19 and name HA) (resid 19 and name HB) 1.8 0.0 1.1

! inter

assign (resid 19 and name HA) (resid 20 and name HN) 1.8 0.0 3.2

assign (resid 19 and name HB) (resid 20 and name HN) 1.8 0.0 3.2


assign (resid 19 and name HA) (resid 20 and name HG#) 1.8 0.0 3.2   !2013


! assign (resid 19 and name HB) (resid 32 and name HN) 1.8 0.0 4.2
! 20111112  

assign (resid 19 and name HB) (resid 31 and name HD2#) 1.8 0.0 3.2

assign (resid 19 and name HG2#) (resid 20 and name HN) 1.8 0.0 3.2

assign (resid 19 and name HG2#) (resid 25 and name HD#) 1.8 0.0 3.2

assign (resid 19 and name HG2#) (resid 31 and (name HD21 or name HD22)) 1.8 0.0 1.7  

assign (resid 19 and name HG2#) (resid 31 and name HD21) 1.8 0.0 1.7
assign (resid 19 and name HG2#) (resid 31 and name HD22) 1.8 0.0 3.2    

assign (resid 19 and name HG2#) (resid 29 and name HN) 1.8 0.0 3.5       

assign (resid 19 and name HG2#) (resid 27 and name HB1) 1.8 0.0 1.7          
assign (resid 19 and name HG2#) (resid 27 and name HB2) 1.8 0.0 3.2        

assign (resid 19 and name HN) (resid 27 and (name HB2 or name HB1)) 1.8 0.0 3.2       



!Val20

! intra

assign (resid 20 and name HB) (resid 20 and name HN) 1.8 0.0 3.2

assign (resid 20 and name HG#) (resid 20 and name HN) 1.8 0.0 3.2

assign (resid 20 and name HA) (resid 20 and name HN) 1.8 0.0 1.7

assign (resid 20 and name HA) (resid 20 and name HG#) 1.8 0.0 1.7

assign (resid 20 and name HA) (resid 20 and name HB) 1.8 0.0 1.7


! inter

assign (resid 20 and name HN) (resid 18 and name HN) 1.8 0.0 4.2

!assign (resid 20 and name HA) (resid 18 and name HA) 1.8 0.0 4.2


assign (resid 20 and name HN) (resid 19 and name HN) 1.8 0.0 1.7

assign (resid 20 and name HN) (resid 19 and name HB) 1.8 0.0 3.2

assign (resid 20 and name HN) (resid 21 and name HN) 1.8 0.0 3.2

assign (resid 20 and name HG#) (resid 21 and name HB1) 1.8 0.0 4.2  
assign (resid 20 and name HG#) (resid 21 and name HB2) 1.8 0.0 4.2  

assign (resid 20 and name HG#) (resid 19 and name HB) 1.8 0.0 3.2

assign (resid 20 and name HG#) (resid 32 and name HB#) 1.8 0.0 3.2

assign (resid 20 and name HG#) (resid 101 and name HB#) 1.8 0.0 3.2

assign (resid 20 and name HG#) (resid 32 and name HN) 1.8 0.0 3.2   

assign (resid 20 and name HN) (resid 32 and name HN) 1.8 0.0 3.2   

assign (resid 20 and name HN) (resid 31 and name HN) 1.8 0.0 3.5

assign (resid 20 and name HG#) (resid 98 and name HD#) 1.8 0.0 3.2






!Glu21

! intra

assign (resid 21 and name HA) (resid 21 and name HN) 1.8 0.0 3.2

assign (resid 21 and name HB1) (resid 21 and name HN) 1.8 0.0 3.2
assign (resid 21 and name HB2) (resid 21 and name HN) 1.8 0.0 3.2


! inter

assign (resid 21 and name HN) (resid 31 and name HD21) 1.8 0.0 3.2

assign (resid 21 and name HN) (resid 31 and name HD22) 1.8 0.0 3.2   

assign (resid 21 and name HA) (resid 22 and name HN) 1.8 0.0 3.2

assign (resid 21 and name HN) (resid 22 and name HN) 1.8 0.0 3.2   

assign (resid 21 and name HB1) (resid 22 and name HN) 1.8 0.0 3.2
assign (resid 21 and name HB2) (resid 22 and name HN) 1.8 0.0 3.2

assign (resid 21 and name HB#) (resid 24 and name HN) 1.8 0.0 3.5









!Lys22

! intra

assign (resid 22 and name HA) (resid 22 and name HN) 1.8 0.0 3.2

assign (resid 22 and name HG1) (resid 22 and name HN) 1.8 0.0 3.2   
assign (resid 22 and name HG2) (resid 22 and name HN) 1.8 0.0 3.2   

assign (resid 22 and name HE#) (resid 22 and name HN) 1.8 0.0 3.5   



! inter

assign (resid 22 and name HA) (resid 23 and name HN) 1.8 0.0 3.2

assign (resid 22 and name HB1) (resid 23 and name HN) 1.8 0.0 3.2   
assign (resid 22 and name HB2) (resid 23 and name HN) 1.8 0.0 3.2
   
assign (resid 22 and name HG1) (resid 23 and name HN) 1.8 0.0 1.7   
assign (resid 22 and name HG2) (resid 23 and name HN) 1.8 0.0 1.7 
  
assign (resid 22 and name HD1) (resid 23 and name HN) 1.8 0.0 3.2   
assign (resid 22 and name HD2) (resid 23 and name HN) 1.8 0.0 3.2
   
assign (resid 22 and name HE#) (resid 23 and name HN) 1.8 0.0 3.2   

assign (resid 22 and name HA) (resid 33 and name HB1) 1.8 0.0 3.2
assign (resid 22 and name HA) (resid 33 and name HB2) 1.8 0.0 3.2







!Gly23

! intra

assign (resid 23 and name HA1) (resid 23 and name HN) 1.8 0.0 3.2
assign (resid 23 and name HA2) (resid 23 and name HN) 1.8 0.0 3.2


! inter

assign (resid 23 and name HA2) (resid 24 and name HN) 1.8 0.0 1.7
assign (resid 23 and name HA1) (resid 24 and name HN) 1.8 0.0 3.2








!Gly24

! intra
assign (resid 24 and name HA#) (resid 24 and name HN) 1.8 0.0 3.2


! inter

assign (resid 24 and name HA#) (resid 31 and name HD2#) 1.8 0.0 3.2







!Pro25

!intra

assign (resid 25 and name HD1) (resid 25 and name HA) 1.8 0.0 3.2   
assign (resid 25 and name HD2) (resid 25 and name HA) 1.8 0.0 3.2   

assign (resid 25 and name HD1) (resid 25 and name HG1) 1.8 0.0 3.2   
assign (resid 25 and name HD2) (resid 25 and name HG1) 1.8 0.0 3.2   
assign (resid 25 and name HD1) (resid 25 and name HG2) 1.8 0.0 1.7   
assign (resid 25 and name HD2) (resid 25 and name HG2) 1.8 0.0 1.7   

assign (resid 25 and name HD1) (resid 25 and name HB#) 1.8 0.0 1.7   
assign (resid 25 and name HD2) (resid 25 and name HB#) 1.8 0.0 1.7   

assign (resid 25 and name HA) (resid 25 and name HB#) 1.8 0.0 1.7   

assign (resid 25 and name HA) (resid 25 and name HG1) 1.8 0.0 3.2   
assign (resid 25 and name HA) (resid 25 and name HG2) 1.8 0.0 3.2   

!inter


assign (resid 25 and name HA) (resid 26 and name HA) 1.8 0.0 4.2   

assign (resid 25 and name HA) (resid 26 and name HN) 1.8 0.0 1.7   

assign (resid 25 and name HG1) (resid 26 and name HA) 1.8 0.0 4.5   
assign (resid 25 and name HG2) (resid 26 and name HA) 1.8 0.0 3.2   

assign (resid 25 and name HB#) (resid 26 and name HA) 1.8 0.0 3.2   

assign (resid 25 and name HA) (resid 24 and name HN) 1.8 0.0 4.2   




! His26

! intra

assign (resid 26 and name HA) (resid 26 and name HN) 1.8 0.0 3.2

assign (resid 26 and name HB1) (resid 26 and name HN) 1.8 0.0 3.2  
assign (resid 26 and name HB2) (resid 26 and name HN) 1.8 0.0 3.2 

assign (resid 26 and name HB1) (resid 26 and name HA) 1.8 0.0 1.7  
assign (resid 26 and name HB2) (resid 26 and name HA) 1.8 0.0 1.7  


! inter

assign (resid 26 and name HA) (resid 31 and name HA) 1.8 0.0 3.2

assign (resid 26 and name HA) (resid 31 and name HN) 1.8 0.0 3.5

assign (resid 26 and name HB1) (resid 27 and name HN) 1.8 0.0 3.2
assign (resid 26 and name HB2) (resid 27 and name HN) 1.8 0.0 3.2

assign (resid 26 and name HB#) (resid 30 and name HA) 1.8 0.0 3.2

assign (resid 26 and name HB#) (resid 46 and name HB#) 1.8 0.0 1.7

assign (resid 26 and name HB1) (resid 46 and name HD1) 1.8 0.0 3.2
assign (resid 26 and name HB2) (resid 46 and name HD1) 1.8 0.0 3.5

assign (resid 26 and name HB#) (resid 46 and name HE1) 1.8 0.0 3.5

assign (resid 26 and name HD1) (resid 46 and name HD1) 1.8 0.0 3.2

assign (resid 26 and name HE1) (resid 31 and name HA) 1.8 0.0 3.5

assign (resid 26 and name HE1) (resid 31 and name HN) 1.8 0.0 3.2

assign (resid 26 and name HE1) (resid 30 and name HB1) 1.8 0.0 3.2   
assign (resid 26 and name HE1) (resid 30 and name HB2) 1.8 0.0 3.5   







!Lys27

! intra

assign (resid 27 and name HA) (resid 27 and name HN) 1.8 0.0 3.2

assign (resid 27 and name HB1) (resid 27 and name HN) 1.8 0.0 3.2
assign (resid 27 and name HB2) (resid 27 and name HN) 1.8 0.0 3.2


! inter

assign (resid 27 and name HB1) (resid 19 and name HG2#) 1.8 0.0 1.7
assign (resid 27 and name HB2) (resid 19 and name HG2#) 1.8 0.0 3.2

assign (resid 27 and name HB#) (resid 28 and name HN) 1.8 0.0 3.2

assign (resid 27 and name HN) (resid 31 and name HD21) 1.8 0.0 1.7   
assign (resid 27 and name HN) (resid 31 and name HD22) 1.8 0.0 1.7   







!Val28

! intra

assign (resid 28 and name HA) (resid 28 and name HN) 1.8 0.0 1.7

assign (resid 28 and name HB) (resid 28 and name HN) 1.8 0.0 3.2

assign (resid 28 and name HG1#) (resid 28 and name HN) 1.8 0.0 3.2
assign (resid 28 and name HG2#) (resid 28 and name HN) 1.8 0.0 3.2

assign (resid 28 and name HG1#) (resid 28 and name HA) 1.8 0.0 1.7
assign (resid 28 and name HG2#) (resid 28 and name HA) 1.8 0.0 1.7

assign (resid 28 and name HG1#) (resid 28 and name HB) 1.8 0.0 1.7
assign (resid 28 and name HG2#) (resid 28 and name HB) 1.8 0.0 1.7

! inter

assign (resid 28 and name HB) (resid 17 and name HA) 1.8 0.0 3.2

assign (resid 28 and name HB) (resid 17 and name HB#) 1.8 0.0 4.2

assign (resid 28 and name HG1#) (resid 17 and name HA) 1.8 0.0 3.2
assign (resid 28 and name HG2#) (resid 17 and name HA) 1.8 0.0 3.2

assign (resid 28 and (name HG1# or name HG2#)) (resid 27 and name HB#) 1.8 0.0 3.2

assign (resid 28 and name HG1#) (resid 29 and name HN) 1.8 0.0 3.5
assign (resid 28 and name HG2#) (resid 29 and name HN) 1.8 0.0 3.2  

assign (resid 28 and (name HG1# or name HG2#)) (resid 104 and name HBC#) 1.8 0.0 3.2


!assign (resid 28 and (name HG1# or name HG2#)) (resid 31 and name HN) 1.8 0.0 4.2

assign (resid 28 and (name HG1# or name HG1#)) (resid 104 and name HMD#) 1.8 0.0 3.2








!Gly29

! intra


! inter

assign (resid 29 and name HA#) (resid 30 and name HD#) 1.8 0.0 3.2

assign (resid 29 and name HN) (resid 17 and name HA) 1.8 0.0 3.2

assign (resid 29 and name HN) (resid 104 and name HMD#) 1.8 0.0 3.2   








!Pro30

! intra

assign (resid 30 and name HA) (resid 30 and name HG1) 1.8 0.0 3.2   

assign (resid 30 and name HB1) (resid 30 and name HA) 1.8 0.0 1.7
assign (resid 30 and name HB2) (resid 30 and name HA) 1.8 0.0 1.7




! inter

assign (resid 30 and name HA) (resid 26 and name HE1) 1.8 0.0 3.2

assign (resid 30 and name HA) (resid 31 and name HN) 1.8 0.0 3.2

assign (resid 30 and name HA) (resid 31 and name HA) 1.8 0.0 3.2


assign (resid 30 and name HB#) (resid 26 and name HE1) 1.8 0.0 3.2

assign (resid 30 and name HB1) (resid 31 and name HN) 1.8 0.0 3.2
assign (resid 30 and name HB2) (resid 31 and name HN) 1.8 0.0 3.2

assign (resid 30 and name HB1) (resid 46 and name HD#) 1.8 0.0 3.2
assign (resid 30 and name HB2) (resid 46 and name HD#) 1.8 0.0 3.2

assign (resid 30 and name HB#) (resid 46 and name HE#) 1.8 0.0 3.2


assign (resid 30 and name HG#) (resid 31 and name HN) 1.8 0.0 3.2

assign (resid 30 and name HG#) (resid 46 and name HD#) 1.8 0.0 3.2

assign (resid 30 and name HG#) (resid 46 and name HE#) 1.8 0.0 3.2

assign (resid 30 and name HG#) (resid 104 and name HAD2) 1.8 0.0 3.2   !2013








!Asn31

! intra

assign (resid 31 and name HA) (resid 31 and name HN) 1.8 0.0 3.2

assign (resid 31 and name HB1) (resid 31 and name HN) 1.8 0.0 3.2
assign (resid 31 and name HB2) (resid 31 and name HN) 1.8 0.0 3.2


assign (resid 31 and name HB1) (resid 31 and (name HD21 or name HD22)) 1.8 0.0 3.2  
assign (resid 31 and name HB2) (resid 31 and (name HD21 or name HD22)) 1.8 0.0 3.2  

! inter

assign (resid 31 and name HA) (resid 18 and name HA) 1.8 0.0 3.2

assign (resid 31 and name HA) (resid 19 and name HN) 1.8 0.0 3.2

assign (resid 31 and name HA) (resid 32 and name HN) 1.8 0.0 3.2

assign (resid 31 and name HB1) (resid 26 and name HE1) 1.8 0.0 3.2
assign (resid 31 and name HB2) (resid 26 and name HE1) 1.8 0.0 3.2

assign (resid 31 and name HB1) (resid 32 and name HN) 1.8 0.0 3.2
assign (resid 31 and name HB2) (resid 32 and name HN) 1.8 0.0 3.2

assign (resid 31 and name HD2#) (resid 19 and name HB) 1.8 0.0 3.2

assign (resid 31 and name HD2#) (resid 21 and name HN) 1.8 0.0 3.2

assign (resid 31 and name HD2#) (resid 27 and name HN) 1.8 0.0 3.2








!Leu32

! intra

assign (resid 32 and name HD1#) (resid 32 and name HN) 1.8 0.0 3.2
assign (resid 32 and name HD2#) (resid 32 and name HN) 1.8 0.0 3.2 

assign (resid 32 and name HB1) (resid 32 and name HN) 1.8 0.0 3.2  
assign (resid 32 and name HB2) (resid 32 and name HN) 1.8 0.0 3.2  

assign (resid 32 and name HG) (resid 32 and name HN) 1.8 0.0 3.2  

assign (resid 32 and name HA) (resid 32 and name HN) 1.8 0.0 3.2


assign (resid 32 and name HD1#) (resid 32 and name HA) 1.8 0.0 3.2
assign (resid 32 and name HD2#) (resid 32 and name HA) 1.8 0.0 3.2 

assign (resid 32 and name HB1) (resid 32 and name HA) 1.8 0.0 3.2  
assign (resid 32 and name HB2) (resid 32 and name HA) 1.8 0.0 3.2  

! inter


assign (resid 32 and name HN) (resid 19 and name HN) 1.8 0.0 3.2

assign (resid 32 and name HN) (resid 31 and name HN) 1.8 0.0 3.2

assign (resid 32 and name HB#) (resid 98 and name HD#) 1.8 0.0 3.2


assign (resid 32 and (name HD1# or name HD2#)) (resid 18 and name HB#) 1.8 0.0 3.2

assign (resid 32 and (name HD1# or name HD2#)) (resid 104 and name HMA#) 1.8 0.0 3.2

assign (resid 32 and name HN) (resid 35 and name HD1#) 1.8 0.0 4.2 

assign (resid 32 and name HN) (resid 35 and name HG2#) 1.8 0.0 4.2 

assign (resid 32 and name HB1) (resid 35 and name HG2#) 1.8 0.0 3.2 
assign (resid 32 and name HB2) (resid 35 and name HG2#) 1.8 0.0 3.5 


assign (resid 32 and name HD1#) (resid 104 and name HB) 1.8 0.0 3.2
assign (resid 32 and name HD2#) (resid 104 and name HB) 1.8 0.0 3.2 






!His33

! intra

assign (resid 33 and name HB1) (resid 33 and name HN) 1.8 0.0 3.2
assign (resid 33 and name HB2) (resid 33 and name HN) 1.8 0.0 3.2

assign (resid 33 and name HA) (resid 33 and name HN) 1.8 0.0 1.7

assign (resid 33 and name HB1) (resid 33 and name HD2) 1.8 0.0 3.2 
assign (resid 33 and name HB2) (resid 33 and name HD2) 1.8 0.0 3.2  

assign (resid 33 and name HB1) (resid 33 and name HE1) 1.8 0.0 4.2 
assign (resid 33 and name HB2) (resid 33 and name HE1) 1.8 0.0 4.2  




! inter


assign (resid 33 and name HN) (resid 32 and name HN) 1.8 0.0 3.2

assign (resid 33 and name HA) (resid 34 and name HN) 1.8 0.0 1.7

assign (resid 33 and name HA) (resid 35 and name HN) 1.8 0.0 4.2  

assign (resid 33 and name HA) (resid 36 and name HD#) 1.8 0.0 3.5  

!assign (resid 33 and name HA) (resid 36 and name HA) 1.8 0.0 4.2  




!Gly34

! intra

assign (resid 34 and name HA1) (resid 34 and name HN) 1.8 0.0 3.2

assign (resid 34 and name HA2) (resid 34 and name HN) 1.8 0.0 3.2

! inter

assign (resid 34 and name HN) (resid 35 and name HD1#) 1.8 0.0 4.5

assign (resid 34 and name HA2) (resid 35 and name HN) 1.8 0.0 3.2
assign (resid 34 and name HA1) (resid 35 and name HN) 1.8 0.0 3.2

assign (resid 34 and name HN) (resid 35 and name HG2#) 1.8 0.0 4.2











!Ile35

! intra

assign (resid 35 and name HA) (resid 35 and name HN) 1.8 0.0 1.1

assign (resid 35 and name HB) (resid 35 and name HN) 1.8 0.0 1.7

assign (resid 35 and name HD1#) (resid 35 and name HN) 1.8 0.0 3.2

assign (resid 35 and name HD1#) (resid 35 and name HA) 1.8 0.0 3.2

assign (resid 35 and name HG1#) (resid 35 and name HA) 1.8 0.0 3.2

assign (resid 35 and name HG1#) (resid 35 and name HN) 1.8 0.0 3.2

assign (resid 35 and name HG2#) (resid 35 and name HA) 1.8 0.0 1.7

assign (resid 35 and name HG2#) (resid 35 and name HN) 1.8 0.0 3.2


! inter

assign (resid 35 and name HN) (resid 36 and name HN) 1.8 0.0 1.1

assign (resid 35 and name HA) (resid 36 and name HN) 1.8 0.0 1.7

!assign (resid 35 and name HA) (resid 41 and name HA#) 1.8 0.0 4.2

assign (resid 35 and name HA) (resid 38 and name HN) 1.8 0.0 3.2

assign (resid 35 and name HB) (resid 36 and name HN) 1.8 0.0 3.2


assign (resid 35 and name HG1#) (resid 36 and name HA) 1.8 0.0 4.2

assign (resid 35 and name HG1#) (resid 59 and name HD1) 1.8 0.0 3.2

assign (resid 35 and name HG1#) (resid 59 and name HZ3) 1.8 0.0 4.5  




assign (resid 35 and name HG2#) (resid 36 and name HD#) 1.8 0.0 1.7

assign (resid 35 and name HG2#) (resid 36 and name HN) 1.8 0.0 1.7

assign (resid 35 and name HG2#) (resid 36 and name HZ) 1.8 0.0 3.5

!assign (resid 35 and name HG2#) (resid 41 and name HN) 1.8 0.0 4.2  




assign (resid 35 and name HD#) (resid 36 and name HN) 1.8 0.0 3.5

assign (resid 35 and name HG2#) (resid 36 and name HE#) 1.8 0.0 1.7 

assign (resid 35 and name HD1#) (resid 59 and name HD1) 1.8 0.0 3.2

assign (resid 35 and name HG2#) (resid 59 and name HD1) 1.8 0.0 3.5 

assign (resid 35 and name HG2#) (resid 95 and name HG2#) 1.8 0.0 4.5 

assign (resid 35 and name HD1#) (resid 30 and (name HG1 or name HG2)) 1.8 0.0 3.2












!Phe36

! intra

assign (resid 36 and name HA) (resid 36 and name HN) 1.8 0.0 3.2

assign (resid 36 and name HB1) (resid 36 and name HN) 1.8 0.0 1.7
assign (resid 36 and name HB2) (resid 36 and name HN) 1.8 0.0 1.7

assign (resid 36 and name HA) (resid 36 and name HD#) 1.8 0.0 3.2 

assign (resid 36 and name HB1) (resid 36 and name HD#) 1.8 0.0 1.7
assign (resid 36 and name HB2) (resid 36 and name HD#) 1.8 0.0 1.7

! inter

assign (resid 36 and name HN) (resid 37 and name HN) 1.8 0.0 3.2

assign (resid 36 and name HA) (resid 37 and name HN) 1.8 0.0 1.7

assign (resid 36 and name HB1) (resid 37 and name HN) 1.8 0.0 3.2
assign (resid 36 and name HB2) (resid 37 and name HN) 1.8 0.0 3.2

assign (resid 36 and name HD#) (resid 61 and name HN) 1.8 0.0 3.2

assign (resid 36 and name HD#) (resid 59 and name HB#) 1.8 0.0 3.2    

assign (resid 36 and name HD#) (resid 64 and name HE#) 1.8 0.0 4.2     !2013

assign (resid 36 and name HD#) (resid 64 and name HB#) 1.8 0.0 4.2    

assign (resid 36 and name HE#) (resid 95 and name HD1#) 1.8 0.0 3.2    

assign (resid 36 and name HE#) (resid 61 and name HA) 1.8 0.0 1.7

assign (resid 36 and name HE#) (resid 61 and (name HB1 or name HB2)) 1.8 0.0 3.2

assign (resid 36 and name HE#) (resid 98 and name HN) 1.8 0.0 3.2

assign (resid 36 and name HE#) (resid 98 and name HD#) 1.8 0.0 3.2

assign (resid 36 and name HE#) (resid 99 and name HN) 1.8 0.0 3.2








!Gly37

! intra

assign (resid 37 and name HA1) (resid 37 and name HN) 1.8 0.0 3.2
assign (resid 37 and name HA2) (resid 37 and name HN) 1.8 0.0 3.2

! inter
assign (resid 37 and name HA1) (resid 38 and name HN) 1.8 0.0 3.2
assign (resid 37 and name HA2) (resid 38 and name HN) 1.8 0.0 3.2

assign (resid 37 and name HN) (resid 38 and name HN) 1.8 0.0 3.2  






! Arg38

! intra

assign (resid 38 and name HA) (resid 38 and name HN) 1.8 0.0 1.1

assign (resid 38 and name HB#) (resid 38 and name HN) 1.8 0.0 1.7

assign (resid 38 and name HG#) (resid 38 and name HN) 1.8 0.0 3.2

assign (resid 38 and name HD#) (resid 38 and name HN) 1.8 0.0 3.2

assign (resid 38 and name HB#) (resid 38 and name HA) 1.8 0.0 1.1

assign (resid 38 and name HG#) (resid 38 and name HA) 1.8 0.0 3.2

assign (resid 38 and name HD#) (resid 38 and name HA) 1.8 0.0 3.2



! inter

assign (resid 38 and name HN) (resid 35 and name HA) 1.8 0.0 3.2

assign (resid 38 and name HN) (resid 37 and name HN) 1.8 0.0 1.7

assign (resid 38 and name HA) (resid 39 and name HN) 1.8 0.0 1.7

assign (resid 38 and name HA) (resid 59 and name HD1) 1.8 0.0 5.2

assign (resid 38 and name HB#) (resid 39 and name HN) 1.8 0.0 3.2

assign (resid 38 and name HB#) (resid 59 and name HD1) 1.8 0.0 5.0

assign (resid 38 and name HG#) (resid 35 and name HA) 1.8 0.0 3.2

assign (resid 38 and name HG#) (resid 59 and name HD1) 1.8 0.0 5.0

assign (resid 38 and name HD#) (resid 35 and name HA) 1.8 0.0 3.5

assign (resid 38 and name HD#) (resid 39 and name HN) 1.8 0.0 3.2

assign (resid 38 and name HN) (resid 59 and name HB1) 1.8 0.0 4.5
assign (resid 38 and name HN) (resid 59 and name HB2) 1.8 0.0 3.2




!His39

! intra

assign (resid 39 and name HA) (resid 39 and name HN) 1.8 0.0 1.1

assign (resid 39 and name HB1) (resid 39 and name HN) 1.8 0.0 3.2
assign (resid 39 and name HB2) (resid 39 and name HN) 1.8 0.0 3.2

assign (resid 39 and name HA) (resid 39 and name HB1) 1.8 0.0 1.7
assign (resid 39 and name HA) (resid 39 and name HB2) 1.8 0.0 1.7

assign (resid 39 and name HB1) (resid 39 and name HD2) 1.8 0.0 3.2
assign (resid 39 and name HB2) (resid 39 and name HD2) 1.8 0.0 3.2

assign (resid 39 and name HA) (resid 39 and name HD2) 1.8 0.0 3.2

!
assign (resid 39 and name HE1) (resid 39 and name HD2) 1.8 0.0 3.2




! inter

assign (resid 39 and name HA) (resid 40 and name HN) 1.8 0.0 3.2

assign (resid 39 and name HN) (resid 40 and name HN) 1.8 0.0 3.2

assign (resid 39 and name HA) (resid 58 and (name HB1 or name HB2)) 1.8 0.0 5.5

assign (resid 39 and name HB1) (resid 40 and name HN) 1.8 0.0 3.2
assign (resid 39 and name HB2) (resid 40 and name HN) 1.8 0.0 3.2


! assign (resid 39 and (name HB1 or name HB2)) (resid 56 and name HA) 1.8 0.0 4.5
! 20111112




assign (resid 39 and name HD2) (resid 58 and name HN) 1.8 0.0 4.2

assign (resid 39 and name HA) (resid 58 and name HG) 1.8 0.0 4.5

assign (resid 39 and name HA) (resid 59 and name HN) 1.8 0.0 3.2   !2013
assign (resid 38 and name HN) (resid 59 and name HN) 1.8 0.0 3.2   !2013




!Ser40

assign (resid 40 and name HA) (resid 40 and name HN) 1.8 0.0 1.1

assign (resid 40 and name HB1) (resid 40 and name HN) 1.8 0.0 3.2
assign (resid 40 and name HB2) (resid 40 and name HN) 1.8 0.0 3.2

assign (resid 40 and name HB1) (resid 40 and name HA) 1.8 0.0 3.2
assign (resid 40 and name HB2) (resid 40 and name HA) 1.8 0.0 3.2


! inter

assign (resid 40 and name HN) (resid 41 and name HN) 1.8 0.0 3.2

assign (resid 40 and name HA) (resid 41 and name HN) 1.8 0.0 1.7

assign (resid 40 and name HB1) (resid 41 and name HN) 1.8 0.0 3.2
!assign (resid 40 and name HB2) (resid 41 and name HN) 1.8 0.0 3.2

assign (resid 40 and name HB2) (resid 41 and name HA#) 1.8 0.0 3.5

!assign (resid 40 and name HB1) (resid 59 and name HE3) 1.8 0.0 4.2
!assign (resid 40 and name HB2) (resid 59 and name HE3) 1.8 0.0 4.2





assign (resid 40 and name HB#) (resid 52 and name HD2#) 1.8 0.0 3.5

assign (resid 40 and name HB#) (resid 57 and name HN) 1.8 0.0 4.2


assign (resid 40 and name HA) (resid 59 and name HD1) 1.8 0.0 4.5

assign (resid 40 and name HN) (resid 56 and name HD22) 1.8 0.0 3.2  !2013





!Gly41

! intra

assign (resid 41 and name HA1) (resid 41 and name HN) 1.8 0.0 1.1
assign (resid 41 and name HA2) (resid 41 and name HN) 1.8 0.0 1.1



! inter

assign (resid 41 and name HA#) (resid 43 and name HN) 1.8 0.0 3.5

assign (resid 41 and name HA#) (resid 48 and name HB#) 1.8 0.0 3.2

assign (resid 41 and name HA#) (resid 42 and name HN) 1.8 0.0 1.7   


assign (resid 41 and name HA#) (resid 48 and name HD#) 1.8 0.0 3.2

assign (resid 41 and name HA#) (resid 53 and name HG2#) 1.8 0.0 4.2




!Gln42

! intra

assign (resid 42 and name HB1) (resid 42 and name HN) 1.8 0.0 3.2
assign (resid 42 and name HB2) (resid 42 and name HN) 1.8 0.0 3.2

assign (resid 42 and name HB1) (resid 42 and name HA) 1.8 0.0 1.7
assign (resid 42 and name HB2) (resid 42 and name HA) 1.8 0.0 1.7

assign (resid 42 and name HA) (resid 42 and name HN) 1.8 0.0 1.7

assign (resid 42 and name HG1) (resid 42 and name HN) 1.8 0.0 3.2
assign (resid 42 and name HG2) (resid 42 and name HN) 1.8 0.0 3.2

assign (resid 42 and name HG1) (resid 42 and name HA) 1.8 0.0 3.2
assign (resid 42 and name HG2) (resid 42 and name HA) 1.8 0.0 1.7

! inter

assign (resid 42 and name HN) (resid 41 and name HN) 1.8 0.0 3.2

assign (resid 42 and name HB#) (resid 38 and name HD#) 1.8 0.0 3.2

assign (resid 42 and name HB#) (resid 39 and name HN) 1.8 0.0 3.2

assign (resid 42 and name HE2#) (resid 39 and name HN) 1.8 0.0 3.2

assign (resid 42 and name HG#) (resid 44 and name HG#) 1.8 0.0 3.2

assign (resid 42 and name HG#) (resid 44 and name HB1) 1.8 0.0 5.0
assign (resid 42 and name HG#) (resid 44 and name HB2) 1.8 0.0 4.2






!Ala43

! intra

assign (resid 43 and name HA) (resid 43 and name HN) 1.8 0.0 1.1

assign (resid 43 and name HB#) (resid 43 and name HN) 1.8 0.0 1.1

assign (resid 43 and name HB#) (resid 43 and name HA) 1.8 0.0 1.1


! inter

assign (resid 43 and name HB#) (resid 26 and name HD#) 1.8 0.0 3.2

assign (resid 43 and name HB#) (resid 26 and name HE1) 1.8 0.0 1.1



assign (resid 43 and name HB#) (resid 30 and name HB#) 1.8 0.0 1.7

assign (resid 43 and name HB#) (resid 31 and name HN) 1.8 0.0 3.2


assign (resid 43 and name HB#) (resid 44 and name HN) 1.8 0.0 1.7

assign (resid 43 and name HA) (resid 44 and name HN) 1.8 0.0 1.7




!Glu44

! intra

assign (resid 44 and name HB1) (resid 44 and name HN) 1.8 0.0 3.2
assign (resid 44 and name HB2) (resid 44 and name HN) 1.8 0.0 3.2


assign (resid 44 and name HG#) (resid 44 and name HN) 1.8 0.0 1.7

assign (resid 44 and name HB1) (resid 44 and name HA) 1.8 0.0 3.2
assign (resid 44 and name HB2) (resid 44 and name HA) 1.8 0.0 3.2


assign (resid 44 and name HG#) (resid 44 and name HA) 1.8 0.0 3.2




!inter

assign (resid 44 and name HN) (resid 45 and name HA#) 1.8 0.0 4.2









! G45

assign (resid 45 and name HA#) (resid 26 and name HE1) 1.8 0.0 3.2

assign (resid 45 and name HA#) (resid 46 and name HD#) 1.8 0.0 4.2





!Tyr46

! intra

assign (resid 46 and name HA) (resid 46 and name HN) 1.8 0.0 1.7

assign (resid 46 and name HB1) (resid 46 and name HN) 1.8 0.0 3.2
assign (resid 46 and name HB2) (resid 46 and name HN) 1.8 0.0 3.2

assign (resid 46 and name HB1) (resid 46 and name HA) 1.8 0.0 3.2
assign (resid 46 and name HB2) (resid 46 and name HA) 1.8 0.0 3.2


assign (resid 46 and name HB1) (resid 46 and name HD1) 1.8 0.0 3.2
assign (resid 46 and name HB2) (resid 46 and name HD1) 1.8 0.0 3.2

assign (resid 46 and name HE1) (resid 46 and name HD1) 1.8 0.0 3.2
assign (resid 46 and name HE2) (resid 46 and name HD1) 1.8 0.0 3.2


! inter

assign (resid 46 and name HB#) (resid 26 and name HD#) 1.8 0.0 1.7

assign (resid 46 and name HB#) (resid 26 and name HE1) 1.8 0.0 1.7

assign (resid 46 and name HB#) (resid 30 and name HB#) 1.8 0.0 3.2

assign (resid 46 and name HD#) (resid 104 and name HBA#) 1.8 0.0 5.2


assign (resid 46 and name HB#) (resid 48 and name HD#) 1.8 0.0 4.2







!Ser47

assign (resid 47 and name HB1) (resid 47 and name HA) 1.8 0.0 3.2
assign (resid 47 and name HB2) (resid 47 and name HA) 1.8 0.0 3.2







!Tyr48

! intra

assign (resid 48 and name HA) (resid 48 and name HN) 1.8 0.0 3.2

assign (resid 48 and name HB1) (resid 48 and name HN) 1.8 0.0 3.2
assign (resid 48 and name HB2) (resid 48 and name HN) 1.8 0.0 3.2

assign (resid 48 and name HB1) (resid 48 and name HD#) 1.8 0.0 3.2
assign (resid 48 and name HB2) (resid 48 and name HD#) 1.8 0.0 3.2


! inter

assign (resid 48 and name HN) (resid 49 and name HN) 1.8 0.0 3.2

assign (resid 48 and name HA) (resid 49 and name HN) 1.8 0.0 3.2

assign (resid 48 and name HB1) (resid 49 and name HN) 1.8 0.0 3.2
assign (resid 48 and name HB2) (resid 49 and name HN) 1.8 0.0 3.2

assign (resid 48 and name HD#) (resid 41 and name HA#) 1.8 0.0 3.2

assign (resid 48 and name HD#) (resid 49 and name HN) 1.8 0.0 3.2

assign (resid 48 and name HD#) (resid 52 and name HD21) 1.8 0.0 3.5
assign (resid 48 and name HD#) (resid 52 and name HD22) 1.8 0.0 4.5

assign (resid 48 and name HE#) (resid 49 and name HN) 1.8 0.0 4.5

assign (resid 48 and name HE#) (resid 104 and name HAD2) 1.8 0.0 4.2  !2013



!Thr49

! intra

assign (resid 49 and name HA) (resid 49 and name HN) 1.8 0.0 3.2

assign (resid 49 and name HB) (resid 49 and name HN) 1.8 0.0 3.2

assign (resid 49 and name HG2#) (resid 49 and name HN) 1.8 0.0 3.2
assign (resid 49 and name HG2#) (resid 49 and name HA) 1.8 0.0 1.7

assign (resid 49 and name HG2#) (resid 49 and name HB) 1.8 0.0 1.7

assign (resid 49 and name HA) (resid 49 and name HB) 1.8 0.0 1.7



! inter


assign (resid 49 and name HN) (resid 50 and name HN) 1.8 0.0 3.2

assign (resid 49 and name HA) (resid 50 and name HN) 1.8 0.0 1.7

assign (resid 49 and name HB) (resid 50 and name HN) 1.8 0.0 3.2

assign (resid 49 and name HG2#) (resid 50 and name HN) 1.8 0.0 3.2

assign (resid 49 and name HN) (resid 52 and name HN) 1.8 0.0 3.2   

assign (resid 49 and name HG2#) (resid 79 and name HN) 1.8 0.0 3.2

assign (resid 49 and name HG2#) (resid 78 and name HB) 1.8 0.0 1.7

assign (resid 49 and name HN) (resid 104 and (name HBD1 or name HBD2)) 1.8 0.0 3.2





!Asp50

! intra

assign (resid 50 and name HA) (resid 50 and name HN) 1.8 0.0 1.1

assign (resid 50 and name HB1) (resid 50 and name HN) 1.8 0.0 3.2
assign (resid 50 and name HB2) (resid 50 and name HN) 1.8 0.0 1.7

assign (resid 50 and name HB1) (resid 50 and name HA) 1.8 0.0 1.1
assign (resid 50 and name HB2) (resid 50 and name HA) 1.8 0.0 1.1


! inter

assign (resid 50 and name HB1) (resid 51 and name HN) 1.8 0.0 3.2
assign (resid 50 and name HB2) (resid 51 and name HN) 1.8 0.0 1.7

assign (resid 50 and name HA) (resid 51 and name HN) 1.8 0.0 3.2

assign (resid 50 and name HA) (resid 54 and name HN) 1.8 0.0 3.2




!Ala51

! intra

assign (resid 51 and name HB#) (resid 51 and name HN) 1.8 0.0 1.1

assign (resid 51 and name HA) (resid 51 and name HN) 1.8 0.0 3.2

assign (resid 51 and name HB#) (resid 51 and name HA) 1.8 0.0 1.7

! inter

assign (resid 51 and name HN) (resid 52 and name HN) 1.8 0.0 3.2

assign (resid 51 and name HA) (resid 52 and name HN) 1.8 0.0 3.2

assign (resid 51 and name HB#) (resid 52 and name HN) 1.8 0.0 1.1

assign (resid 51 and name HB#) (resid 75 and name HG2#) 1.8 0.0 3.2

assign (resid 51 and name HB#) (resid 77 and name HA#) 1.8 0.0 3.2

assign (resid 51 and name HB#) (resid 78 and name HB) 1.8 0.0 3.2

assign (resid 51 and name HB#) (resid 78 and name HN) 1.8 0.0 3.2






!Asn52

! intra

assign (resid 52 and name HB1) (resid 52 and name HN) 1.8 0.0 3.2
assign (resid 52 and name HB2) (resid 52 and name HN) 1.8 0.0 3.2

assign (resid 52 and name HA) (resid 52 and name HN) 1.8 0.0 3.2

assign (resid 52 and name HB1) (resid 52 and name HA) 1.8 0.0 3.2
assign (resid 52 and name HB2) (resid 52 and name HA) 1.8 0.0 3.2


! inter

assign (resid 52 and name HB#) (resid 48 and name HD#) 1.8 0.0 3.2

assign (resid 52 and name HB#) (resid 49 and name HN) 1.8 0.0 3.2

assign (resid 52 and name HB#) (resid 53 and name HG1#) 1.8 0.0 1.7

assign (resid 52 and name HN) (resid 54 and name HN) 1.8 0.0 3.2  

assign (resid 52 and name HB1) (resid 53 and name HN) 1.8 0.0 3.2
assign (resid 52 and name HB2) (resid 53 and name HN) 1.8 0.0 3.2

assign (resid 52 and name HD2#) (resid 41 and name HN) 1.8 0.0 3.2

assign (resid 52 and name HD2#) (resid 57 and name HG1#) 1.8 0.0 1.7  
assign (resid 52 and name HD2#) (resid 57 and name HG2#) 1.8 0.0 4.2


assign (resid 52 and name HN) (resid 78 and name HN) 1.8 0.0 4.2  

assign (resid 52 and name HA) (resid 75 and name HD1#) 1.8 0.0 3.2  

assign (resid 52 and name HD21) (resid 59 and name HH2) 1.8 0.0 3.5  

assign (resid 52 and name HD21) (resid 57 and name HA) 1.8 0.0 5.0  
assign (resid 52 and name HD22) (resid 57 and name HA) 1.8 0.0 4.2  

assign (resid 52 and name HD22) (resid 104 and name HAA2) 1.8 0.0 3.2  

assign (resid 52 and name HD22) (resid 59 and name HD1) 1.8 0.0 3.5  

assign (resid 52 and name HD21) (resid 59 and name HH2) 1.8 0.0 3.5   !2013



assign (resid 52 and name HB1) (resid 104 and name HAA1) 1.8 0.0 4.2
assign (resid 52 and name HB2) (resid 104 and name HAA1) 1.8 0.0 3.2



!Ile53

! intra

assign (resid 53 and name HA) (resid 53 and name HN) 1.8 0.0 3.2

assign (resid 53 and name HB) (resid 53 and name HN) 1.8 0.0 1.1

assign (resid 53 and name HG11) (resid 53 and name HN) 1.8 0.0 1.7
assign (resid 53 and name HG12) (resid 53 and name HN) 1.8 0.0 1.7

assign (resid 53 and name HG2#) (resid 53 and name HN) 1.8 0.0 1.7

assign (resid 53 and name HD1#) (resid 53 and name HN) 1.8 0.0 1.7

assign (resid 53 and name HB) (resid 53 and name HA) 1.8 0.0 1.7

assign (resid 53 and name HG11) (resid 53 and name HA) 1.8 0.0 1.7
assign (resid 53 and name HG12) (resid 53 and name HA) 1.8 0.0 1.7

assign (resid 53 and name HG2#) (resid 53 and name HA) 1.8 0.0 1.7

assign (resid 53 and name HD1#) (resid 53 and name HA) 1.8 0.0 3.2

assign (resid 53 and name HG11) (resid 53 and name HB) 1.8 0.0 1.7
assign (resid 53 and name HG12) (resid 53 and name HB) 1.8 0.0 1.7

assign (resid 53 and name HG2#) (resid 53 and name HB) 1.8 0.0 1.7

assign (resid 53 and name HD1#) (resid 53 and name HB) 1.8 0.0 1.7


! inter

assign (resid 53 and name HN) (resid 52 and name HN) 1.8 0.0 3.2

assign (resid 53 and name HN) (resid 54 and name HN) 1.8 0.0 1.7

assign (resid 53 and name HN) (resid 55 and name HN) 1.8 0.0 3.2

assign (resid 53 and name HA) (resid 54 and name HN) 1.8 0.0 3.2

assign (resid 53 and name HB) (resid 50 and name HA) 1.8 0.0 1.1

assign (resid 53 and name HB) (resid 54 and name HN) 1.8 0.0 1.1



assign (resid 53 and name HG1#) (resid 48 and name HD#) 1.8 0.0 3.5

assign (resid 53 and name HG1#) (resid 54 and name HN) 1.8 0.0 3.2

assign (resid 53 and name HG1#) (resid 41 and name HA#) 1.8 0.0 3.2


assign (resid 53 and name HG2#) (resid 54 and name HN) 1.8 0.0 3.2


assign (resid 53 and name HD1#) (resid 48 and name HD#) 1.8 0.0 3.2

assign (resid 53 and name HD1#) (resid 50 and name HA) 1.8 0.0 3.2

assign (resid 53 and name HD1#) (resid 54 and name HN) 1.8 0.0 3.2










!Lys54

! intra

assign (resid 54 and name HA) (resid 54 and name HN) 1.8 0.0 1.7

assign (resid 54 and name HB#) (resid 54 and name HN) 1.8 0.0 3.2

assign (resid 54 and name HG1) (resid 54 and name HN) 1.8 0.0 3.2
assign (resid 54 and name HG2) (resid 54 and name HN) 1.8 0.0 3.2   

assign (resid 54 and name HD#) (resid 54 and name HN) 1.8 0.0 3.2   

assign (resid 54 and name HB#) (resid 54 and name HA) 1.8 0.0 3.2

assign (resid 54 and name HG1) (resid 54 and name HA) 1.8 0.0 3.2
assign (resid 54 and name HG2) (resid 54 and name HA) 1.8 0.0 3.2   

assign (resid 54 and name HD#) (resid 54 and name HA) 1.8 0.0 3.2   


! inter

assign (resid 54 and name HA) (resid 55 and name HN) 1.8 0.0 3.2

assign (resid 54 and name HB2) (resid 55 and name HN) 1.8 0.0 3.2
assign (resid 54 and name HB1) (resid 55 and name HN) 1.8 0.0 3.2

assign (resid 54 and name HB#) (resid 50 and name HA) 1.8 0.0 3.2

assign (resid 54 and name HD#) (resid 55 and name HN) 1.8 0.0 3.2   





!Lys55

!intra

assign (resid 55 and name HA) (resid 55 and name HN) 1.8 0.0 3.2

assign (resid 55 and name HB2) (resid 55 and name HN) 1.8 0.0 3.2
assign (resid 55 and name HB1) (resid 55 and name HN) 1.8 0.0 3.2

assign (resid 55 and name HG#) (resid 55 and name HN) 1.8 0.0 3.2


assign (resid 55 and name HB2) (resid 55 and name HA) 1.8 0.0 1.7
assign (resid 55 and name HB1) (resid 55 and name HA) 1.8 0.0 1.7

assign (resid 55 and name HG#) (resid 55 and name HA) 1.8 0.0 1.7


!inter

assign (resid 55 and name HN) (resid 54 and name HN) 1.8 0.0 3.2

assign (resid 55 and name HA) (resid 55 and name HN) 1.8 0.0 3.2

assign (resid 55 and (name HB1 or name HB2)) (resid 55 and name HN) 1.8 0.0 3.2

assign (resid 55 and (name HG1 or name HG2)) (resid 74 and name HD#) 1.8 0.0 4.2





!Asn56

! intra

assign (resid 56 and name HA) (resid 56 and name HN) 1.8 0.0 3.2

assign (resid 56 and name HB1) (resid 56 and name HN) 1.8 0.0 3.2
assign (resid 56 and name HB2) (resid 56 and name HN) 1.8 0.0 3.2

! inter

assign (resid 56 and name HA) (resid 39 and name HD2) 1.8 0.0 5.0

assign (resid 56 and name HA) (resid 40 and name HN) 1.8 0.0 4.2

assign (resid 56 and name HD2#) (resid 41 and name HN) 1.8 0.0 4.5

assign (resid 56 and name HA) (resid 57 and name HN) 1.8 0.0 3.2

assign (resid 56 and name HB1) (resid 57 and name HN) 1.8 0.0 3.2
assign (resid 56 and name HB2) (resid 57 and name HN) 1.8 0.0 3.2

assign (resid 56 and name HA) (resid 57 and name HG2#) 1.8 0.0 4.2
assign (resid 56 and name HA) (resid 57 and name HG1#) 1.8 0.0 3.5

assign (resid 56 and name HD22) (resid 104 and name HAA1) 1.8 0.0 6.0
assign (resid 56 and name HD22) (resid 104 and name HAA2) 1.8 0.0 5.5




!Val57

! intra

assign (resid 57 and name HG1#) (resid 57 and name HN) 1.8 0.0 3.2
assign (resid 57 and name HG2#) (resid 57 and name HN) 1.8 0.0 3.2

assign (resid 57 and name HB) (resid 57 and name HN) 1.8 0.0 3.2

assign (resid 57 and name HA) (resid 57 and name HN) 1.8 0.0 3.2

assign (resid 57 and name HG1#) (resid 57 and name HA) 1.8 0.0 3.2
assign (resid 57 and name HG2#) (resid 57 and name HA) 1.8 0.0 3.2

assign (resid 57 and name HB) (resid 57 and name HA) 1.8 0.0 3.2

assign (resid 57 and name HG1#) (resid 57 and name HB) 1.8 0.0 3.2
assign (resid 57 and name HG2#) (resid 57 and name HB) 1.8 0.0 3.2




! inter

assign (resid 57 and name HN) (resid 58 and name HN) 1.8 0.0 3.5

assign (resid 57 and name HA) (resid 58 and name HN) 1.8 0.0 1.7   

assign (resid 57 and name HA) (resid 39 and name HD2) 1.8 0.0 4.5

assign (resid 57 and name HG1#) (resid 40 and name HN) 1.8 0.0 4.2
assign (resid 57 and name HG2#) (resid 40 and name HN) 1.8 0.0 5.0

assign (resid 57 and name HG1#) (resid 40 and name HB#) 1.8 0.0 5.0
assign (resid 57 and name HG2#) (resid 40 and name HB#) 1.8 0.0 6.2  ! specific 6.2A   

assign (resid 57 and name HG1#) (resid 58 and name HN) 1.8 0.0 3.2
assign (resid 57 and name HG2#) (resid 58 and name HN) 1.8 0.0 3.2

assign (resid 57 and name HG1# ) (resid 74 and name HD#) 1.8 0.0 4.2
assign (resid 57 and name HG2# ) (resid 74 and name HD#) 1.8 0.0 4.2


!assign (resid 57 and name HG1# ) (resid 63 and name HN) 1.8 0.0 4.2      

assign (resid 57 and name HG2# ) (resid 63 and name HN) 1.8 0.0 4.5     


assign (resid 57 and name HG1# ) (resid 59 and name HZ3) 1.8 0.0 3.2
assign (resid 57 and name HG2# ) (resid 59 and name HZ3) 1.8 0.0 3.5


assign (resid 57 and name HG1# ) (resid 59 and name HN) 1.8 0.0 3.2
assign (resid 57 and name HG2# ) (resid 59 and name HN) 1.8 0.0 3.5

assign (resid 57 and name HG1# ) (resid 59 and name HD1) 1.8 0.0 4.2
assign (resid 57 and name HG2# ) (resid 59 and name HD1) 1.8 0.0 4.5

assign (resid 57 and name HG1# ) (resid 38 and name HN) 1.8 0.0 6.5    ! specific 6A
!assign (resid 57 and name HG2# ) (resid 38 and name HN) 1.8 0.0 4.2

assign (resid 57 and name HG1# ) (resid 39 and name HD2) 1.8 0.0 4.5
assign (resid 57 and name HG2# ) (resid 39 and name HD2) 1.8 0.0 4.5

assign (resid 57 and name HG2# ) (resid 63 and name HB2) 1.8 0.0 4.2
assign (resid 57 and name HG1# ) (resid 63 and name HB1) 1.8 0.0 4.2
assign (resid 57 and name HG2# ) (resid 63 and name HB2) 1.8 0.0 4.2





!Leu58

! intra

assign (resid 58 and name HA) (resid 58 and name HN) 1.8 0.0 3.2

assign (resid 58 and name HB#) (resid 58 and name HN) 1.8 0.0 1.7

assign (resid 58 and name HG) (resid 58 and name HN) 1.8 0.0 3.5

assign (resid 58 and name HD1#) (resid 58 and name HN) 1.8 0.0 3.2
assign (resid 58 and name HD2#) (resid 58 and name HN) 1.8 0.0 3.2


assign (resid 58 and name HB#) (resid 58 and name HA) 1.8 0.0 1.7

assign (resid 58 and name HG) (resid 58 and name HA) 1.8 0.0 3.2

assign (resid 58 and name HD1#) (resid 58 and name HA) 1.8 0.0 3.2
assign (resid 58 and name HD2#) (resid 58 and name HA) 1.8 0.0 3.2

assign (resid 58 and name HD1#) (resid 58 and name HB#) 1.8 0.0 3.2
assign (resid 58 and name HD2#) (resid 58 and name HB#) 1.8 0.0 3.2

assign (resid 58 and name HD1#) (resid 58 and name HG) 1.8 0.0 3.2
assign (resid 58 and name HD2#) (resid 58 and name HG) 1.8 0.0 3.2

! inter

assign (resid 58 and name HA) (resid 39 and name HA) 1.8 0.0 3.5

assign (resid 58 and name HA) (resid 59 and name HN) 1.8 0.0 1.7

assign (resid 58 and name HB#) (resid 39 and name HD2) 1.8 0.0 3.2

assign (resid 58 and name HB#) (resid 39 and name HE1) 1.8 0.0 3.5

assign (resid 58 and name HB#) (resid 59 and name HN) 1.8 0.0 3.2

assign (resid 58 and name HG) (resid 59 and name HN) 1.8 0.0 4.2


assign (resid 58 and (name HD1# or name HD2#)) (resid 37 and name HN) 1.8 0.0 4.2

assign (resid 58 and name HD1#) (resid 37 and name HA#) 1.8 0.0 3.2
assign (resid 58 and name HD2#) (resid 37 and name HA#) 1.8 0.0 3.2

assign (resid 58 and name HD1#) (resid 39 and name HA) 1.8 0.0 5.0
assign (resid 58 and name HD2#) (resid 39 and name HA) 1.8 0.0 5.0

assign (resid 58 and name HG) (resid 39 and name HA) 1.8 0.0 4.2

assign (resid 58 and name HD1#) (resid 39 and name HD2) 1.8 0.0 4.2
assign (resid 58 and name HD2#) (resid 39 and name HD2) 1.8 0.0 4.2

assign (resid 58 and name HD1#) (resid 39 and name HN) 1.8 0.0 4.2
assign (resid 58 and name HD2#) (resid 39 and name HN) 1.8 0.0 4.2

assign (resid 58 and name HD1#) (resid 39 and name HE1) 1.8 0.0 4.2
assign (resid 58 and name HD2#) (resid 39 and name HE1) 1.8 0.0 3.5

assign (resid 58 and name HD1#) (resid 59 and name HN) 1.8 0.0 4.2
assign (resid 58 and name HD2#) (resid 59 and name HN) 1.8 0.0 4.2

assign (resid 58 and name HA) (resid 59 and name HD1) 1.8 0.0 3.2  !2013

assign (resid 58 and name HA) (resid 59 and name HE3) 1.8 0.0 5.2   !2013

assign (resid 58 and name HD1#) (resid 38 and name HN) 1.8 0.0 4.2
assign (resid 58 and name HD2#) (resid 38 and name HN) 1.8 0.0 4.2


assign (resid 58 and name HD1#) (resid 60 and name HN) 1.8 0.0 3.5
assign (resid 58 and name HD2#) (resid 60 and name HN) 1.8 0.0 3.5



!Trp59

! intra

assign (resid 59 and name HZ3) (resid 59 and name HZ2) 1.8 0.0 3.2

assign (resid 59 and name HZ3) (resid 59 and name HH2) 1.8 0.0 3.2

assign (resid 59 and name HB1) (resid 59 and name HN) 1.8 0.0 3.2
assign (resid 59 and name HB2) (resid 59 and name HN) 1.8 0.0 1.7

assign (resid 59 and name HA) (resid 59 and name HN) 1.8 0.0 1.7


assign (resid 59 and name HB1) (resid 59 and name HA) 1.8 0.0 3.2
assign (resid 59 and name HB2) (resid 59 and name HA) 1.8 0.0 3.2

assign (resid 59 and name HB1) (resid 59 and name HD1) 1.8 0.0 3.2
assign (resid 59 and name HB2) (resid 59 and name HD1) 1.8 0.0 1.7

assign (resid 59 and name HH2) (resid 59 and name HE1) 1.8 0.0 3.2

assign (resid 59 and name HZ2) (resid 59 and name HE1) 1.8 0.0 1.7

assign (resid 59 and name HZ2) (resid 59 and name HN) 1.8 0.0 5.2   !2013




! inter

assign (resid 59 and name HH2) (resid 104 and (name HBA1 or name HBA2)) 1.8 0.0 4.2




assign (resid 59 and name HB#) (resid 37 and name HN) 1.8 0.0 3.2

assign (resid 59 and name HD1) (resid 38 and name HN) 1.8 0.0 3.2

assign (resid 59 and name HD1) (resid 41 and name HN) 1.8 0.0 4.2

assign (resid 59 and name HA) (resid 60 and name HN) 1.8 0.0 3.2

assign (resid 59 and (name HB1 or name HB2)) (resid 60 and name HN) 1.8 0.0 3.2

assign (resid 59 and name HE1) (resid 40 and name HA) 1.8 0.0 3.5

assign (resid 59 and name HE1) (resid 63 and name HD22) 1.8 0.0 4.5
assign (resid 59 and name HE1) (resid 63 and name HD21) 1.8 0.0 4.2

assign (resid 59 and name HE3) (resid 63 and name HD22) 1.8 0.0 3.2  !2013
assign (resid 59 and name HE3) (resid 63 and name HD21) 1.8 0.0 4.2  !2013


assign (resid 59 and name HE3) (resid 64 and (name HB1 or name HB2)) 1.8 0.0 3.2

assign (resid 59 and name HH2) (resid 67 and name HE1) 1.8 0.0 4.2   !2013




assign (resid 59 and name HA) (resid 74 and name HH) 1.8 0.0 3.2   !2013

assign (resid 59 and name HH2) (resid 74 and name HE#) 1.8 0.0 3.2   !2013


assign (resid 59 and name HZ2) (resid 74 and name HD#) 1.8 0.0 3.2    !2013

assign (resid 59 and name HZ2) (resid 74 and name HE#) 1.8 0.0 3.2

assign (resid 59 and name HZ3) (resid 64 and name HA) 1.8 0.0 1.7

! assign (resid 59 and name HA) (resid 64 and name HN) 1.8 0.0 4.2
! 20110920

assign (resid 59 and name HH2) (resid 57 and name HG2#) 1.8 0.0 4.2

assign (resid 59 and name HZ2) (resid 104 and name HAA1) 1.8 0.0 1.1   !2013





!Asp60

! intra

assign (resid 60 and name HA) (resid 60 and name HN) 1.8 0.0 1.7

assign (resid 60 and name HB1) (resid 60 and name HN) 1.8 0.0 3.2
assign (resid 60 and name HB2) (resid 60 and name HN) 1.8 0.0 3.2


!inter


assign (resid 60 and name HA) (resid 61 and name HN) 1.8 0.0 3.2

assign (resid 60 and name HB1) (resid 61 and name HN) 1.8 0.0 3.2
assign (resid 60 and name HB2) (resid 61 and name HN) 1.8 0.0 3.2

!assign (resid 60 and name HN) (resid 63 and name HB1) 1.8 0.0 1.7
!assign (resid 60 and name HN) (resid 63 and name HB2) 1.8 0.0 1.7
! 20110920


assign (resid 60 and name HN) (resid 63 and name HN) 1.8 0.0 3.2

! assign (resid 60 and name HB1) (resid 62 and name HN) 1.8 0.0 3.5
! assign (resid 60 and name HB2) (resid 62 and name HN) 1.8 0.0 3.5
! 20110920


!Glu61

! intra

assign (resid 61 and name HA) (resid 61 and name HN) 1.8 0.0 3.2

assign (resid 61 and name HB1) (resid 61 and name HN) 1.8 0.0 3.2
assign (resid 61 and name HB2) (resid 61 and name HN) 1.8 0.0 3.2

assign (resid 61 and name HG#) (resid 61 and name HN) 1.8 0.0 3.2

assign (resid 61 and name HB1) (resid 61 and name HA) 1.8 0.0 3.2
assign (resid 61 and name HB2) (resid 61 and name HA) 1.8 0.0 3.2

assign (resid 61 and name HG#) (resid 61 and name HA) 1.8 0.0 3.2



! inter

assign (resid 61 and name HA) (resid 62 and name HN) 1.8 0.0 3.2

assign (resid 61 and name HA) (resid 64 and name HN) 1.8 0.0 3.2

assign (resid 61 and name HA) (resid 64 and name HB1) 1.8 0.0 3.2
assign (resid 61 and name HA) (resid 64 and name HB2) 1.8 0.0 3.2

assign (resid 61 and name HA) (resid 63 and name HN) 1.8 0.0 3.2

assign (resid 61 and name HA) (resid 65 and name HN) 1.8 0.0 3.2

assign (resid 61 and name HB1) (resid -3 and name HD#) 1.8 0.0 3.5
assign (resid 61 and name HB2) (resid -3 and name HD#) 1.8 0.0 3.2

assign (resid 61 and name HB1) (resid 62 and name HN) 1.8 0.0 3.2
assign (resid 61 and name HB2) (resid 62 and name HN) 1.8 0.0 3.2

assign (resid 61 and name HG#) (resid 62 and name HN) 1.8 0.0 3.2


assign (resid 61 and name HN) (resid 63 and name HN) 1.8 0.0 3.2

assign (resid 61 and name HN) (resid 95 and name HD1#) 1.8 0.0 4.2





!Asn62

! intra

assign (resid 62 and name HB2) (resid 62 and name HN) 1.8 0.0 1.7
assign (resid 62 and name HB1) (resid 62 and name HN) 1.8 0.0 1.7

assign (resid 62 and name HA) (resid 62 and name HN) 1.8 0.0 1.7

assign (resid 62 and name HB2) (resid 62 and name HA) 1.8 0.0 1.7
assign (resid 62 and name HB1) (resid 62 and name HA) 1.8 0.0 1.7


assign (resid 62 and name HB2) (resid 62 and name HD21) 1.8 0.0 3.2
assign (resid 62 and name HB1) (resid 62 and name HD21) 1.8 0.0 3.2
assign (resid 62 and name HB2) (resid 62 and name HD22) 1.8 0.0 3.2
assign (resid 62 and name HB1) (resid 62 and name HD22) 1.8 0.0 3.2

assign (resid 62 and name HA) (resid 62 and name HD21) 1.8 0.0 3.2
assign (resid 62 and name HA) (resid 62 and name HD22) 1.8 0.0 3.2




! inter

assign (resid 62 and name HB1) (resid 63 and name HN) 1.8 0.0 3.2
assign (resid 62 and name HB2) (resid 63 and name HN) 1.8 0.0 3.2

assign (resid 62 and name HN) (resid 61 and name HN) 1.8 0.0 3.2

assign (resid 62 and name HN) (resid 63 and name HN) 1.8 0.0 1.7

assign (resid 62 and name HN) (resid 64 and name HN) 1.8 0.0 3.2

assign (resid 62 and name HD2#) (resid 63 and name HB#) 1.8 0.0 1.7

assign (resid 62 and name HA) (resid 64 and name HN) 1.8 0.0 3.2

assign (resid 62 and name HA) (resid 65 and name HN) 1.8 0.0 3.2




!Asn63

! intra

assign (resid 63 and name HN) (resid 63 and name HA) 1.8 0.0 3.2

assign (resid 63 and name HB1) (resid 63 and name HN) 1.8 0.0 3.2
assign (resid 63 and name HB2) (resid 63 and name HN) 1.8 0.0 3.2


assign (resid 63 and name HB1) (resid 63 and name HA) 1.8 0.0 3.2
assign (resid 63 and name HB2) (resid 63 and name HA) 1.8 0.0 3.2



! inter

assign (resid 63 and name HN) (resid 62 and name HA) 1.8 0.0 3.2

assign (resid 63 and name HA) (resid 64 and name HN) 1.8 0.0 1.7

assign (resid 63 and name HA) (resid 66 and name HN) 1.8 0.0 1.7

assign (resid 63 and name HB1) (resid 64 and name HN) 1.8 0.0 3.2
assign (resid 63 and name HB2) (resid 64 and name HN) 1.8 0.0 3.2

!assign (resid 63 and name HB#) (resid 62 and name HN) 1.8 0.0 3.2
! 20110920

assign (resid 63 and name HD21) (resid 57 and name HG1#) 1.8 0.0 1.7       
assign (resid 63 and name HD22) (resid 57 and name HG2#) 1.8 0.0 1.7
assign (resid 63 and name HD21) (resid 57 and name HG2#) 1.8 0.0 1.7
assign (resid 63 and name HD22) (resid 57 and name HG1#) 1.8 0.0 1.7

assign (resid 63 and name HD21) (resid 60 and name HN) 1.8 0.0 3.2
assign (resid 63 and name HD22) (resid 60 and name HN) 1.8 0.0 3.2


assign (resid 63 and name HD2#) (resid 64 and name HN) 1.8 0.0 3.2

assign (resid 63 and name HD22) (resid 67 and (name HB1 or name HB2)) 1.8 0.0 3.2  !2013
assign (resid 63 and name HD22) (resid 67 and (name HB1 or name HB2)) 1.8 0.0 3.2  !2013



!Met64

! intra

assign (resid 64 and name HB1) (resid 64 and name HN) 1.8 0.0 3.2
assign (resid 64 and name HB2) (resid 64 and name HN) 1.8 0.0 3.2

assign (resid 64 and name HA) (resid 64 and name HN) 1.8 0.0 3.2


assign (resid 64 and name HG#) (resid 64 and name HN) 1.8 0.0 3.2

assign (resid 64 and name HE#) (resid 64 and name HN) 1.8 0.0 3.2

assign (resid 64 and name HB1) (resid 64 and name HE#) 1.8 0.0 3.2
assign (resid 64 and name HB2) (resid 64 and name HE#) 1.8 0.0 3.2

assign (resid 64 and name HA) (resid 64 and name HE#) 1.8 0.0 3.2


! inter

!assign (resid 64 and name HN) (resid 61 and name HN) 1.8 0.0 3.2
! 20110920

assign (resid 64 and name HN) (resid 63 and name HN) 1.8 0.0 3.2

assign (resid 64 and name HN) (resid 67 and name HN) 1.8 0.0 3.2

assign (resid 64 and name HB#) (resid 36 and name HZ) 1.8 0.0 3.2

assign (resid 64 and name HB#) (resid 61 and name HA) 1.8 0.0 1.7

! assign (resid 64 and name HB#) (resid 63 and name HA) 1.8 0.0 4.2
! 20110920

assign (resid 64 and name HB#) (resid 65 and name HN) 1.8 0.0 1.7

assign (resid 64 and name HG#) (resid 36 and name HE#) 1.8 0.0 3.2

!assign (resid 64 and name HE#) (resid 67 and name HD1) 1.8 0.0 4.2

! assign (resid 64 and name HN) (resid 67 and (name HB1 or name HB2)) 1.8 0.0 2.5
! 20110920

assign (resid 64 and name HE#) (resid 99 and name HN) 1.8 0.0 4.2

assign (resid 64 and name HE#) (resid 59 and name HZ3) 1.8 0.0 3.2

assign (resid 64 and name HE#) (resid 59 and name HD1) 1.8 0.0 3.2

assign (resid 64 and name HE#) (resid 59 and name HE3) 1.8 0.0 3.2

assign (resid 64 and name HA) (resid 59 and name HE3) 1.8 0.0 1.7

assign (resid 64 and name HN) (resid 59 and name HE3) 1.8 0.0 3.2


assign (resid 64 and name HE#) (resid 65 and name HN) 1.8 0.0 4.2

assign (resid 64 and name HE#) (resid 36 and name HE#) 1.8 0.0 1.7

assign (resid 64 and name HE#) (resid 36 and name HD#) 1.8 0.0 1.7

assign (resid 64 and name HE#) (resid 36 and name HZ) 1.8 0.0 1.7

assign (resid 64 and name HE#) (resid 36 and name HN) 1.8 0.0 3.2

assign (resid 64 and name HE#) (resid 59 and name HN) 1.8 0.0 3.5

assign (resid 64 and name HE#) (resid 63 and name HD2#) 1.8 0.0 4.2

!assign (resid 64 and name HE#) (resid 58 and name HD1#) 1.8 0.0 4.2
!assign (resid 64 and name HE#) (resid 58 and name HD2#) 1.8 0.0 4.2


assign (resid 64 and name HE#) (resid 104 and name HMA#) 1.8 0.0 1.7

assign (resid 64 and name HE#) (resid 104 and name HMB#) 1.8 0.0 3.2

assign (resid 64 and name HE#) (resid 104 and name HB) 1.8 0.0 3.2

assign (resid 64 and name HE#) (resid 36 and name HB1) 1.8 0.0 3.2
assign (resid 64 and name HE#) (resid 36 and name HB2) 1.8 0.0 3.2


assign (resid 64 and name HE#) (resid 35 and name HD1#) 1.8 0.0 3.2

assign (resid 64 and name HE#) (resid 32 and name HG) 1.8 0.0 3.2

assign (resid 64 and name HE#) (resid 98 and name HD#) 1.8 0.0 1.7

assign (resid 64 and name HE#) (resid 95 and name HD1#) 1.8 0.0 4.2
assign (resid 64 and name HE#) (resid 95 and name HG2#) 1.8 0.0 2.5

assign (resid 64 and name HE#) (resid 60 and name HN) 1.8 0.0 4.2







!Ser65

! intra

assign (resid 65 and name HA) (resid 65 and name HN) 1.8 0.0 1.7

assign (resid 65 and name HB1) (resid 65 and name HN) 1.8 0.0 3.2
assign (resid 65 and name HB2) (resid 65 and name HN) 1.8 0.0 3.2

assign (resid 65 and name HB1) (resid 65 and name HA) 1.8 0.0 3.2
assign (resid 65 and name HB2) (resid 65 and name HA) 1.8 0.0 3.2


! inter

assign (resid 65 and name HN) (resid 62 and name HA) 1.8 0.0 3.2

assign (resid 65 and name HN) (resid 63 and name HN) 1.8 0.0 3.2

assign (resid 65 and name HN) (resid 64 and name HN) 1.8 0.0 3.2

assign (resid 65 and name HN) (resid 66 and name HN) 1.8 0.0 1.7

assign (resid 65 and name HN) (resid 67 and name HN) 1.8 0.0 3.2


assign (resid 65 and name HN) (resid 95 and name HG2#) 1.8 0.0 3.2  
assign (resid 65 and name HN) (resid 95 and name HD1#) 1.8 0.0 3.2  

assign (resid 65 and name HA) (resid 68 and name HD1#) 1.8 0.0 3.2  
assign (resid 65 and name HA) (resid 68 and name HD2#) 1.8 0.0 3.2  


!assign (resid 65 and name HN) (resid 85 and name HB1) 1.8 0.0 4.2 

assign (resid 65 and name HN) (resid 95 and name HG2#) 1.8 0.0 3.2 

assign (resid 65 and name HN) (resid 95 and name HD1#) 1.8 0.0 1.7 

assign (resid 65 and name HB1) (resid 95 and name HD1#) 1.8 0.0 1.7
assign (resid 65 and name HB2) (resid 95 and name HD1#) 1.8 0.0 1.7

assign (resid 65 and name HB1) (resid 91 and name HD#) 1.8 0.0 1.7
assign (resid 65 and name HB2) (resid 91 and name HD#) 1.8 0.0 3.2

assign (resid 65 and name HA) (resid 91 and name HD#) 1.8 0.0 1.1


assign (resid 65 and name HA) (resid 66 and name HN) 1.8 0.0 3.2

assign (resid 65 and name HB#) (resid 66 and name HN) 1.8 0.0 3.2

assign (resid 65 and name HN) (resid 68 and (name HD2# or name HD1#)) 1.8 0.0 3.2






!Glu66

! intra

assign (resid 66 and name HA) (resid 66 and name HN) 1.8 0.0 1.7

assign (resid 66 and name HB1) (resid 66 and name HN) 1.8 0.0 1.7
assign (resid 66 and name HB2) (resid 66 and name HN) 1.8 0.0 1.7

assign (resid 66 and name HG1) (resid 66 and name HN) 1.8 0.0 3.2
assign (resid 66 and name HG2) (resid 66 and name HN) 1.8 0.0 3.2


! inter

assign (resid 66 and name HN) (resid 62 and name HA) 1.8 0.0 3.2

assign (resid 66 and name HN) (resid 64 and name HN) 1.8 0.0 3.2

assign (resid 66 and name HN) (resid 67 and name HN) 1.8 0.0 3.2

assign (resid 66 and name HA) (resid 67 and name HN) 1.8 0.0 3.2

assign (resid 66 and name HB1) (resid 67 and name HN) 1.8 0.0 3.2
assign (resid 66 and name HB2) (resid 67 and name HN) 1.8 0.0 3.2

assign (resid 66 and name HG1) (resid 67 and name HN) 1.8 0.0 3.2
assign (resid 66 and name HG2) (resid 67 and name HN) 1.8 0.0 3.2






! His67

! intra

assign (resid 67 and name HA) (resid 67 and name HN) 1.8 0.0 1.7

assign (resid 67 and name HB1) (resid 67 and name HD1) 1.8 0.0 3.2
assign (resid 67 and name HB2) (resid 67 and name HD1) 1.8 0.0 3.2

assign (resid 67 and name HB1) (resid 67 and name HN) 1.8 0.0 3.2
assign (resid 67 and name HB2) (resid 67 and name HN) 1.8 0.0 3.2

assign (resid 67 and name HB1) (resid 67 and name HD2) 1.8 0.0 3.2
assign (resid 67 and name HB2) (resid 67 and name HD2) 1.8 0.0 3.2

assign (resid 67 and name HD2) (resid 67 and name HN) 1.8 0.0 3.5

assign (resid 67 and name HB1) (resid 67 and name HA) 1.8 0.0 3.2
assign (resid 67 and name HB2) (resid 67 and name HA) 1.8 0.0 3.2


! inter

! assign (resid 67 and name Hd1) (resid 104 and name HMA#) 1.8 0.0 1.7 ! repeated

assign (resid 67 and name HN) (resid 68 and (name HB1 or name HB2)) 1.8 0.0 3.2 

assign (resid 67 and name HA) (resid 68 and name HN) 1.8 0.0 1.7

assign (resid 67 and name HA) (resid 69 and name HN) 1.8 0.0 3.2


assign (resid 67 and name HB#) (resid 68 and name HN) 1.8 0.0 1.7

assign (resid 67 and name HB#) (resid 64 and name HA) 1.8 0.0 3.2

assign (resid 67 and name HD1) (resid 74 and name HN) 1.8 0.0 4.2

assign (resid 67 and name HD1) (resid 75 and name HN) 1.8 0.0 5.5


assign (resid 67 and name HD1) (resid 104 and name HAA#) 1.8 0.0 4.5

assign (resid 67 and name HD2) (resid 104 and name HAA#) 1.8 0.0 4.5  !2013

assign (resid 67 and name HD2) (resid 59 and name HZ3) 1.8 0.0 3.2

assign (resid 67 and name HE1) (resid 80 and name HE#) 1.8 0.0 1.7

assign (resid 67 and name HE1) (resid 59 and name HZ2) 1.8 0.0 4.2

assign (resid 67 and name HA) (resid 74 and name HD#) 1.8 0.0 3.5



assign (resid 67 and name HE1) (resid 74 and name HE#) 1.8 0.0 1.7  !2013


assign (resid 67 and name HE1) (resid 75 and name HG2#) 1.8 0.0 1.7  !2013


assign (resid 67 and name HD2) (resid 104 and name HC) 1.8 0.0 5.2   !2013


!Leu68

! intra

assign (resid 68 and name HA) (resid 68 and name HN) 1.8 0.0 1.7

assign (resid 68 and name HD1#) (resid 68 and name HN) 1.8 0.0 4.2
assign (resid 68 and name HD2#) (resid 68 and name HN) 1.8 0.0 3.2

assign (resid 68 and name HB1) (resid 68 and name HN) 1.8 0.0 1.7  
assign (resid 68 and name HB2) (resid 68 and name HN) 1.8 0.0 1.7  

assign (resid 68 and name HG) (resid 68 and name HN) 1.8 0.0 3.2    

assign (resid 68 and name HD1#) (resid 68 and name HA) 1.8 0.0 3.2
assign (resid 68 and name HD2#) (resid 68 and name HA) 1.8 0.0 3.2 

assign (resid 68 and name HD1#) (resid 68 and name HB1) 1.8 0.0 1.7   
assign (resid 68 and name HD2#) (resid 68 and name HB1) 1.8 0.0 1.7   
assign (resid 68 and name HD1#) (resid 68 and name HB2) 1.8 0.0 1.7   
assign (resid 68 and name HD2#) (resid 68 and name HB2) 1.8 0.0 1.7   

assign (resid 68 and name HD1#) (resid 68 and name HG) 1.8 0.0 1.1   
assign (resid 68 and name HD2#) (resid 68 and name HG) 1.8 0.0 1.1   

assign (resid 68 and (name HD1# or name HD2#)) (resid 68 and name HB#) 1.8 0.0 1.7

! inter

assign (resid 68 and name HA) (resid 71 and (name HD1 or name HD2)) 1.8 0.0 1.7

assign (resid 68 and name HA) (resid 71 and (name HB1 or name HB2)) 1.8 0.0 3.2
assign (resid 68 and name HA) (resid 71 and (name HG1 or name HG2)) 1.8 0.0 1.7


assign (resid 68 and name HN) (resid 64 and name HA) 1.8 0.0 3.2

assign (resid 68 and name HN) (resid 67 and name HN) 1.8 0.0 1.7

assign (resid 68 and (name HD1# or name HD2#)) (resid 67 and name HB1) 1.8 0.0 3.2
assign (resid 68 and (name HD1# or name HD2#)) (resid 67 and name HB2) 1.8 0.0 3.2

assign (resid 68 and (name HD1# or name HD2#)) (resid 67 and name HN) 1.8 0.0 3.2
assign (resid 68 and (name HD1# or name HD2#)) (resid 64 and name HE#) 1.8 0.0 4.2

assign (resid 68 and name HA) (resid 69 and name HN) 1.8 0.0 3.2

assign (resid 68 and name HA) (resid 82 and name HE#) 1.8 0.0 3.2
assign (resid 68 and name HA) (resid 82 and name HD#) 1.8 0.0 4.2

assign (resid 68 and name HA) (resid 84 and name HA#) 1.8 0.0 3.2

assign (resid 68 and name HA) (resid 85 and (name HD1# or name HD2#)) 1.8 0.0 4.2



assign (resid 68 and name HB#) (resid 69 and name HN) 1.8 0.0 3.2

assign (resid 68 and name HB#) (resid 85 and name HN) 1.8 0.0 3.2


assign (resid 68 and name HD1#) (resid 69 and name HN) 1.8 0.0 3.2
assign (resid 68 and name HD2#) (resid 69 and name HN) 1.8 0.0 3.2

!assign (resid 68 and name HD1#) (resid 97 and name HN) 1.8 0.0 4.2  
!assign (resid 68 and name HD2#) (resid 97 and name HN) 1.8 0.0 4.2   


assign (resid 68 and (name HD1# or name HD2#)) (resid 71 and name HA) 1.8 0.0 5.0

assign (resid 68 and name HD1#) (resid 82 and name HE#) 1.8 0.0 3.2

assign (resid 68 and name HD2#) (resid 82 and name HE#) 1.8 0.0 3.2  



assign (resid 68 and (name HD1# or name HD2#)) (resid 91 and name HA) 1.8 0.0 3.2  

assign (resid 68 and (name HD1# or name HD2#)) (resid 95 and name HN) 1.8 0.0 3.2  

assign (resid 68 and (name HD1# or name HD2#)) (resid 94 and name HD1#) 1.8 0.0 3.2

assign (resid 68 and name HD1#) (resid 95 and name HD1#) 1.8 0.0 3.2
assign (resid 68 and name HD2#) (resid 95 and name HD1#) 1.8 0.0 3.5

assign (resid 68 and name HD1#) (resid 104 and name HBB#) 1.8 0.0 3.2
assign (resid 68 and name HD2#) (resid 104 and name HBB#) 1.8 0.0 3.2

assign (resid 68 and name HD1#) (resid 104 and name HMB#) 1.8 0.0 1.7  
assign (resid 68 and name HD2#) (resid 104 and name HMB#) 1.8 0.0 1.7   

assign (resid 68 and name HD2#) (resid 104 and name HMA#) 1.8 0.0 4.2   


assign (resid 68 and name HD1#) (resid 82 and name HD#) 1.8 0.0 3.5  
assign (resid 68 and name HD2#) (resid 82 and name HD#) 1.8 0.0 3.5   

assign (resid 68 and name HD2#) (resid 82 and name HZ) 1.8 0.0 3.5   


assign (resid 68 and (name HD1# or name HD2#)) (resid 95 and name HG2#) 1.8 0.0 3.2


assign (resid 68 and name HD1#) (resid 98 and name HD#) 1.8 0.0 3.2
assign (resid 68 and name HD2#) (resid 98 and name HD#) 1.8 0.0 3.2

assign (resid 68 and name HD1#) (resid 94 and name HD1#) 1.8 0.0 3.5     
assign (resid 68 and name HD2#) (resid 94 and name HD1#) 1.8 0.0 3.5     
assign (resid 68 and name HD1#) (resid 94 and name HD2#) 1.8 0.0 1.7     
assign (resid 68 and name HD2#) (resid 94 and name HD2#) 1.8 0.0 1.7     

assign (resid 68 and (name HD1# or name HD2#)) (resid 104 and name HAB) 1.8 0.0 3.2


assign (resid 68 and name HG) (resid 82 and name HD#) 1.8 0.0 4.2  
assign (resid 68 and name HG) (resid 82 and name HE#) 1.8 0.0 3.2   

assign (resid 68 and name HG) (resid 82 and name HZ) 1.8 0.0 4.2   

assign (resid 68 and name HD2#) (resid 85 and name HG) 1.8 0.0 3.5    




!Thr69

! intra

assign (resid 69 and name HA) (resid 69 and name HN) 1.8 0.0 3.2

assign (resid 69 and name HG2#) (resid 69 and name HN) 1.8 0.0 3.2

assign (resid 69 and name HA) (resid 69 and name HB) 1.8 0.0 3.2

assign (resid 69 and name HG2#) (resid 69 and name HB) 1.8 0.0 1.1

assign (resid 69 and name HN) (resid 69 and name HB) 1.8 0.0 3.2

! inter

assign (resid 69 and name HN) (resid 70 and name HN) 1.8 0.0 3.2

assign (resid 69 and name HA) (resid 70 and name HN) 1.8 0.0 1.7

assign (resid 69 and name HA) (resid 85 and name HN) 1.8 0.0 3.2

assign (resid 69 and name HG2#) (resid 70 and name HN) 1.8 0.0 3.2

assign (resid 69 and name HG2#) (resid 86 and name HA) 1.8 0.0 3.2







!Asn70

! intra

assign (resid 70 and name HA) (resid 70 and name HN) 1.8 0.0 3.2

assign (resid 70 and name HB1) (resid 70 and name HN) 1.8 0.0 3.2
assign (resid 70 and name HB2) (resid 70 and name HN) 1.8 0.0 3.2

assign (resid 70 and name HB1) (resid 70 and name HA) 1.8 0.0 1.7
assign (resid 70 and name HB2) (resid 70 and name HA) 1.8 0.0 3.2



! inter

assign (resid 70 and name HA) (resid 71 and name HD#) 1.8  0.0  1.1

assign (resid 70 and name HA) (resid 71 and name HB#) 1.8 0.0 3.2

assign (resid 70 and name HA) (resid 71 and name HD#) 1.8 0.0 1.7

assign (resid 70 and name HA) (resid 73 and name HN) 1.8 0.0 5.5

assign (resid 70 and name HA) (resid 84 and name HA#) 1.8 0.0 1.7

assign (resid 70 and name HB#) (resid 69 and name HA) 1.8 0.0 3.2

! assign (resid 70 and name HB#) (resid 75 and name HN) 1.8 0.0 4.2
! 20111112

assign (resid 70 and name HB1) (resid 71 and name HA) 1.8 0.0 4.5
assign (resid 70 and name HB2) (resid 71 and name HA) 1.8 0.0 4.2

assign (resid 70 and name HN) (resid 71 and name HD2) 1.8  0.0  1.7



! Pro71

! intra

assign (resid 71 and name HD#) (resid 71 and name HA) 1.8 0.0 1.7

assign (resid 71 and name HB1) (resid 71 and name HA) 1.8 0.0 1.7
assign (resid 71 and name HB2) (resid 71 and name HA) 1.8 0.0 1.7

assign (resid 71 and name HB1) (resid 71 and name HD2) 1.8 0.0 3.2
assign (resid 71 and name HB2) (resid 71 and name HD2) 1.8 0.0 3.2

assign (resid 71 and name HG#) (resid 71 and name HA) 1.8 0.0 1.7


! inter

assign (resid 71 and name HB2) (resid 72 and name HN) 1.8 0.0 3.2
assign (resid 71 and name HB1) (resid 72 and name HN) 1.8 0.0 3.2

assign (resid 71 and name HD#) (resid 85 and name HN) 1.8 0.0 3.2   

assign (resid 71 and name HG2) (resid 84 and (name HA1 or name HA2)) 1.8 0.0 3.2




!Ala72

! intra

assign (resid 72 and name HA) (resid 72 and name HN) 1.8  0.0  1.1

assign (resid 72 and name HB#) (resid 72 and name HN) 1.8  0.0  1.1

! inter

assign (resid 72 and name HB#) (resid 73 and name HN) 1.8  0.0  1.7

assign (resid 72 and name HA) (resid 73 and name HN) 1.8 0.0 3.2

assign (resid 72 and name HN) (resid 73 and name HN) 1.8 0.0 3.2

assign (resid 72 and name HN) (resid 74 and name HN) 1.8 0.0 3.2








!Lys73

! intra

assign (resid 73 and name HA) (resid 73 and name HN) 1.8  0.0  1.1

assign (resid 73 and name HB1) (resid 73 and name HN) 1.8 0.0 3.2
assign (resid 73 and name HB2) (resid 73 and name HN) 1.8 0.0 3.2

assign (resid 73 and name HG#) (resid 73 and name HN) 1.8 0.0 3.2

assign (resid 73 and name HD#) (resid 73 and name HN) 1.8 0.0 3.5

assign (resid 73 and name HB1) (resid 73 and name HA) 1.8 0.0 1.7
assign (resid 73 and name HB2) (resid 73 and name HA) 1.8 0.0 1.7

assign (resid 73 and name HG#) (resid 73 and name HA) 1.8 0.0 3.2

assign (resid 73 and name HD#) (resid 73 and name HA) 1.8 0.0 3.2



! inter

assign (resid 73 and name HN) (resid 74 and name HN) 1.8 0.0 1.7

assign (resid 73 and name HB2) (resid 74 and name HN) 1.8 0.0 3.2
assign (resid 73 and name HB1) (resid 74 and name HN) 1.8 0.0 3.2

assign (resid 73 and name HD#) (resid 74 and name HN) 1.8 0.0 4.2

assign (resid 73 and name HB2) (resid 75 and name HN) 1.8 0.0 5.0
assign (resid 73 and name HB1) (resid 75 and name HN) 1.8 0.0 4.5

assign (resid 73 and name HA) (resid 76 and (name HB1 or name HB2)) 1.8 0.0 5.0






!Tyr74

!intra

! assign (resid 74 and name HH) (resid 74 and name HD#) 1.8 0.0 3.2
! assign (resid 74 and name HH) (resid 74 and name HE#) 1.8 0.0 3.2

assign (resid 74 and name HB1) (resid 74 and name HN) 1.8 0.0 3.2
assign (resid 74 and name HB2) (resid 74 and name HN) 1.8 0.0 3.2

assign (resid 74 and name HB1) (resid 74 and name HD#) 1.8 0.0 3.2
assign (resid 74 and name HB2) (resid 74 and name HD#) 1.8 0.0 3.2

assign (resid 74 and name HA) (resid 74 and name HN) 1.8 0.0 3.2

assign (resid 74 and name HB1) (resid 74 and name HA) 1.8 0.0 3.2
assign (resid 74 and name HB2) (resid 74 and name HA) 1.8 0.0 3.2

!inter


assign (resid 74 and name HA) (resid 75 and name HN) 1.8 0.0 3.2


assign (resid 74 and name HD#) (resid 59 and name HH2) 1.8 0.0 4.2

assign (resid 74 and name HD#) (resid 75 and name HD1#) 1.8 0.0 3.2  


assign (resid 74 and name HH) (resid 67 and name HD2) 1.8 0.0 4.5


assign (resid 74 and name HH) (resid 63 and name HD21) 1.8 0.0 3.2
assign (resid 74 and name HH) (resid 63 and name HD22) 1.8 0.0 3.2

assign (resid 74 and name HH) (resid 59 and name HZ3) 1.8 0.0 3.5

assign (resid 74 and name HH) (resid 59 and name HZ2) 1.8 0.0 3.2


assign (resid 74 and name HH) (resid 58 and name HN) 1.8 0.0 4.2

assign (resid 74 and name HH) (resid 57 and name HG1#) 1.8 0.0 1.7
assign (resid 74 and name HH) (resid 57 and name HG2#) 1.8 0.0 3.2

assign (resid 74 and name HE#) (resid 57 and name HG1#) 1.8 0.0 3.2
assign (resid 74 and name HE#) (resid 57 and name HG2#) 1.8 0.0 3.2



assign (resid 74 and name HH) (resid 52 and name HD21) 1.8 0.0 3.2

assign (resid 74 and name HH) (resid 104 and name HAA1) 1.8 0.0 4.2
assign (resid 74 and name HH) (resid 104 and name HAA2) 1.8 0.0 4.2

assign (resid 74 and name HE#) (resid 75 and name HD1#) 1.8 0.0 3.2

assign (resid 74 and name HE#) (resid 75 and name HG12) 1.8 0.0 4.2
assign (resid 74 and name HE#) (resid 75 and name HG11) 1.8 0.0 4.2



!Ile75

! intra

assign (resid 75 and name HB) (resid 75 and name HN) 1.8 0.0 3.2

assign (resid 75 and name HG12) (resid 75 and name HN) 1.8 0.0 3.2
assign (resid 75 and name HG11) (resid 75 and name HN) 1.8 0.0 3.2


assign (resid 75 and name HG2#) (resid 75 and name HN) 1.8 0.0 3.2

assign (resid 75 and name HB) (resid 75 and name HA) 1.8 0.0 3.2

assign (resid 75 and name HG2#) (resid 75 and name HB) 1.8 0.0 1.7

assign (resid 75 and name HD1#) (resid 75 and name HN) 1.8 0.0 3.2

assign (resid 75 and name HG2#) (resid 75 and name HA) 1.8 0.0 1.7





! inter

assign (resid 75 and name HN) (resid 71 and name HA) 1.8 0.0 5.0

assign (resid 75 and name HN) (resid 73 and name HN) 1.8 0.0 5.0

assign (resid 75 and name HN) (resid 74 and name HN) 1.8 0.0 3.2

assign (resid 75 and name HG2#) (resid 52 and name HN) 1.8 0.0 3.2

assign (resid 75 and name HG2#) (resid 78 and name HB#) 1.8 0.0 3.5

assign (resid 75 and name HG1#) (resid 78 and name HB) 1.8 0.0 5.0

assign (resid 75 and name HG2#) (resid 78 and name HG2#) 1.8 0.0 3.2  

assign (resid 75 and name HD1#) (resid 52 and name HD2#) 1.8 0.0 3.5

assign (resid 75 and name HD1#) (resid 78 and name HB) 1.8 0.0 5.0



assign (resid 75 and name HG2#) (resid 55 and name HB1) 1.8 0.0 4.2

assign (resid 75 and name HG2#) (resid 55 and name HB2) 1.8 0.0 4.2

assign (resid 75 and name HG2#) (resid 51 and name HB#) 1.8 0.0 3.2

assign (resid 75 and name HD1#) (resid 76 and name HD#) 1.8 0.0 3.2



assign (resid 75 and name HG2#) (resid 104 and name HMA#) 1.8 0.0 4.2   !2013
assign (resid 75 and name HG1#) (resid 104 and name HMA#) 1.8 0.0 4.5   !2013

!Pro76

! intra

assign (resid 76 and name HA) (resid 76 and name HG#) 1.8 0.0 1.7

assign (resid 76 and name HA) (resid 76 and name HB2) 1.8 0.0 1.7

assign (resid 76 and name HA) (resid 76 and name HB1) 1.8 0.0 1.7

assign (resid 76 and name HA) (resid 76 and name HD#) 1.8 0.0 3.2


assign (resid 76 and name HD#) (resid 76 and name HG#) 1.8 0.0 3.2

assign (resid 76 and name HD#) (resid 76 and name HB2) 1.8 0.0 3.2

assign (resid 76 and name HD#) (resid 76 and name HB1) 1.8 0.0 3.2


! inter


assign (resid 76 and name HA) (resid 77 and name HN) 1.8  0.0  1.7

assign (resid 76 and name HA) (resid 78 and name HN) 1.8 0.0 3.5

assign (resid 76 and name HB1) (resid 77 and name HN) 1.8 0.0 3.2
assign (resid 76 and name HB2) (resid 77 and name HN) 1.8 0.0 3.2

assign (resid 76 and name HG#) (resid 77 and name HN) 1.8 0.0 3.2

assign (resid 76 and name HD#) (resid 77 and name HN) 1.8 0.0 3.2

assign (resid 76 and name HD#) (resid 51 and name HB#) 1.8 0.0 3.2

assign (resid 76 and name HB1) (resid 78 and name HN) 1.8 0.0 4.2
assign (resid 76 and name HB2) (resid 78 and name HN) 1.8 0.0 4.2

!Gly77

! intra

assign (resid 77 and name HA1) (resid 77 and name HN) 1.8  0.0  1.1
assign (resid 77 and name HA2) (resid 77 and name HN) 1.8  0.0  1.1

! inter

assign (resid 77 and name HA1) (resid 78 and name HN) 1.8 0.0 3.2
assign (resid 77 and name HA2) (resid 78 and name HN) 1.8 0.0 1.7

assign (resid 77 and name HN) (resid 78 and name HN) 1.8 0.0 1.7    


!Thr78

! intra

assign (resid 78 and name HA) (resid 78 and name HN) 1.8 0.0 1.7

assign (resid 78 and name HG2#) (resid 78 and name HN) 1.8 0.0 1.7

assign (resid 78 and name HB) (resid 78 and name HN) 1.8 0.0 3.2

assign (resid 78 and name HB) (resid 78 and name HA) 1.8 0.0 3.2



! inter


assign (resid 78 and name HN) (resid 77 and name HN) 1.8 0.0 1.7

assign (resid 78 and name HG2#) (resid 75 and name HN) 1.8 0.0 4.5

assign (resid 78 and name HG2#) (resid 104 and name HA) 1.8 0.0 3.5

assign (resid 78 and name HB) (resid 76 and name HA) 1.8 0.0 5.2

assign (resid 78 and name HB) (resid 49 and name HG2#) 1.8 0.0 1.7

assign (resid 78 and name HB) (resid 49 and name HN) 1.8 0.0 4.2

assign (resid 78 and name HA) (resid 79 and name HN) 1.8 0.0 3.2



!Lys79

! intra


assign (resid 79 and name HD#) (resid 79 and name HN) 1.8 0.0 3.2

assign (resid 79 and name HE1) (resid 79 and name HN) 1.8 0.0 3.2
assign (resid 79 and name HE2) (resid 79 and name HN) 1.8 0.0 3.2

assign (resid 79 and name HG1) (resid 79 and name HN) 1.8 0.0 3.2
assign (resid 79 and name HG2) (resid 79 and name HN) 1.8 0.0 3.2


! inter

assign (resid 79 and name HN) (resid 78 and name HN) 1.8 0.0 3.2

assign (resid 79 and name HN) (resid 104 and name HD) 1.8 0.0 4.2   


assign (resid 79 and name HE1) (resid 46 and name HE2) 1.8 0.0 3.5
assign (resid 79 and name HE2) (resid 46 and name HE2) 1.8 0.0 3.2

assign (resid 79 and name HB1) (resid 80 and name HN) 1.8 0.0 3.2
assign (resid 79 and name HB2) (resid 80 and name HN) 1.8 0.0 3.2






!Ala81

!intra

assign (resid 81 and name HB#) (resid 81 and name HN) 1.8 0.0 1.7



!inter

assign (resid 81 and name HB#) (resid 82 and name HN) 1.8 0.0 1.7

assign (resid 81 and name HN) (resid 82 and name HN) 1.8 0.0 3.2




!Phe82

! intra

assign (resid 82 and name HB1) (resid 82 and name HN) 1.8 0.0 3.2
assign (resid 82 and name HB2) (resid 82 and name HN) 1.8 0.0 3.2

assign (resid 82 and name HB1) (resid 82 and name HD#) 1.8 0.0 1.7

assign (resid 82 and name HB2) (resid 82 and name HD#) 1.8 0.0 1.7

assign (resid 82 and name HB1) (resid 82 and name HE#) 1.8 0.0 3.2

assign (resid 82 and name HB2) (resid 82 and name HE#) 1.8 0.0 3.2



!inter

assign (resid 82 and name HE#) (resid 104 and name HBB#) 1.8 0.0 3.2

assign (resid 82 and name HZ) (resid 104 and name HBB#) 1.8 0.0 3.2

assign (resid 82 and name HD#) (resid 104 and name HBB#) 1.8 0.0 4.2    

assign (resid 82 and name HZ) (resid 94 and name HD1#) 1.8 0.0 3.2    
 
assign (resid 82 and name HZ) (resid 94 and name HD2#) 1.8 0.0 3.2    

assign (resid 82 and name HE#) (resid 94 and name HD1#) 1.8 0.0 4.2    
 
assign (resid 82 and name HE#) (resid 94 and name HD2#) 1.8 0.0 3.2    

assign (resid 82 and name HE#) (resid 104 and name HMC#) 1.8 0.0 4.2    

assign (resid 82 and name HZ) (resid 83 and name HN) 1.8 0.0 4.2

assign (resid 82 and name HD#) (resid 83 and name HN) 1.8 0.0 1.7    




!GLY83

!intra

assign (resid 83 and name HA#) (resid 83 and name HN) 1.8 0.0 3.2


assign (resid 83 and name HA#) (resid 84 and name HN) 1.8 0.0 3.2


!inter

!Gly84

assign (resid 84 and name HA#) (resid 85 and name HN) 1.8 0.0 3.2










!Leu85

! intra

assign (resid 85 and name HB1) (resid 85 and name HN) 1.8 0.0 3.2

assign (resid 85 and name HG) (resid 85 and name HA) 1.8 0.0 1.7

assign (resid 85 and name HD1#) (resid 85 and name HA) 1.8 0.0 3.2
assign (resid 85 and name HD2#) (resid 85 and name HA) 1.8 0.0 3.2

assign (resid 85 and name HD1#) (resid 85 and name HN) 1.8 0.0 3.2

assign (resid 85 and name HG) (resid 85 and name HN) 1.8 0.0 3.2

assign (resid 85 and name HD2#) (resid 85 and name HN) 1.8 0.0 3.2

assign (resid 85 and name HA) (resid 85 and name HN) 1.8 0.0 1.7

assign (resid 85 and name HD1#) (resid 85 and name HG) 1.8 0.0 3.2
assign (resid 85 and name HD2#) (resid 85 and name HG) 1.8 0.0 3.2
! inter

! assign (resid 85 and name HA) (resid -3 and name HD#) 1.8 0.0 3.2

assign (resid 85 and name HG) (resid 82 and name HZ) 1.8 0.0 3.2

assign (resid 85 and name HG) (resid 104 and name HBB#) 1.8 0.0 4.5


assign (resid 85 and name HD1#) (resid 82 and name HZ) 1.8 0.0 1.1
assign (resid 85 and name HD2#) (resid 82 and name HZ) 1.8 0.0 1.1

assign (resid 85 and name HD1#) (resid 82 and name HE#) 1.8 0.0 1.7
assign (resid 85 and name HD2#) (resid 82 and name HE#) 1.8 0.0 1.7

assign (resid 85 and name HD1#) (resid 82 and name HZ) 1.8 0.0 3.2
assign (resid 85 and name HD2#) (resid 82 and name HZ) 1.8 0.0 1.7

assign (resid 85 and name HG) (resid 82 and name HZ) 1.8 0.0 4.2
assign (resid 85 and name HG) (resid 82 and name HE#) 1.8 0.0 3.2

assign (resid 85 and (name HD1# or name HD2#)) (resid 86 and name HN) 1.8 0.0 3.2

assign (resid 85 and name HD1#) (resid 90 and name HB1) 1.8 0.0 3.2
assign (resid 85 and name HD1#) (resid 90 and name HB2) 1.8 0.0 3.2
assign (resid 85 and name HD2#) (resid 90 and name HB#) 1.8 0.0 3.2

assign (resid 85 and name HD1#) (resid 91 and name HA) 1.8 0.0 3.2
assign (resid 85 and name HD2#) (resid 91 and name HA) 1.8 0.0 4.2


assign (resid 85 and (name HD1# or name HD2#)) (resid 104 and name HBB#) 1.8 0.0 3.2


assign (resid 85 and (name HD1# or name HD2#)) (resid 94 and name HD1#) 1.8 0.0 3.2 

assign (resid 85 and (name HD1# or name HD2#)) (resid 94 and name HD2#) 1.8 0.0 3.2  




!Lys86

! intra

assign (resid 86 and name HA) (resid 86 and name HN) 1.8 0.0 3.2

assign (resid 86 and name HE#) (resid 86 and name HN) 1.8 0.0 3.2

assign (resid 86 and name HG#) (resid 86 and name HN) 1.8 0.0 3.2

assign (resid 86 and name HB#) (resid 86 and name HN) 1.8 0.0 3.2

assign (resid 86 and name HE#) (resid 86 and name HA) 1.8 0.0 4.2

assign (resid 86 and name HG#) (resid 86 and name HA) 1.8 0.0 3.2

assign (resid 86 and name HB#) (resid 86 and name HA) 1.8 0.0 3.2

! inter

assign (resid 86 and name HE#) (resid 87 and name HN) 1.8 0.0 3.5

assign (resid 86 and name HA) (resid 87 and name HN) 1.8 0.0 3.2

assign (resid 86 and name HB#) (resid 87 and name HN) 1.8 0.0 3.2





!Lys87

! intra

assign (resid 87 and name HA) (resid 87 and name HN) 1.8  0.0  1.1

assign (resid 87 and name HB1) (resid 87 and name HN) 1.8  0.0  3.2
assign (resid 87 and name HB2) (resid 87 and name HN) 1.8  0.0  3.2

assign (resid 87 and name HB1) (resid 87 and name HA) 1.8  0.0  3.2
assign (resid 87 and name HB2) (resid 87 and name HA) 1.8  0.0  3.2

assign (resid 87 and name HG#) (resid 87 and name HN) 1.8  0.0  3.2

assign (resid 87 and name HG#) (resid 87 and name HA) 1.8  0.0  3.2

assign (resid 87 and name HD#) (resid 87 and name HN) 1.8  0.0  3.2


! inter

assign (resid 87 and name HA) (resid 88 and name HN) 1.8 0.0 3.2

assign (resid 87 and name HB2) (resid 88 and name HN) 1.8 0.0 3.2
assign (resid 87 and name HB1) (resid 88 and name HN) 1.8 0.0 3.2

assign (resid 87 and name HN) (resid 88 and name HN) 1.8 0.0 3.2

assign (resid 87 and name HD#) (resid 88 and name HN) 1.8 0.0 3.2

assign (resid 87 and name HG#) (resid 88 and name HN) 1.8 0.0 3.2


!Glu88

! intra

assign (resid 88 and name HA) (resid 88 and name HN) 1.8 0.0 3.2

assign (resid 88 and name HB1) (resid 88 and name HN) 1.8 0.0 3.2
assign (resid 88 and name HB2) (resid 88 and name HN) 1.8 0.0 3.2

assign (resid 88 and name HG#) (resid 88 and name HN) 1.8 0.0 3.2

assign (resid 88 and name HB1) (resid 88 and name HA) 1.8 0.0 1.7
assign (resid 88 and name HB2) (resid 88 and name HA) 1.8 0.0 1.7


! inter

assign (resid 88 and name HA) (resid 89 and name HN) 1.8 0.0 3.2

assign (resid 88 and name HA) (resid 91 and name HB#) 1.8 0.0 3.2

assign (resid 88 and name HN) (resid 91 and name HN) 1.8 0.0 3.2   

assign (resid 88 and name HB1) (resid 89 and name HN) 1.8 0.0 3.2
assign (resid 88 and name HB2) (resid 89 and name HN) 1.8 0.0 3.2











!Lys89

! intra

assign (resid 89 and name HA) (resid 89 and name HN) 1.8 0.0 1.1

assign (resid 89 and name HB1) (resid 89 and name HN) 1.8 0.0 3.2
assign (resid 89 and name HB2) (resid 89 and name HN) 1.8 0.0 1.7

assign (resid 89 and name HD#) (resid 89 and name HN) 1.8 0.0 3.2
assign (resid 89 and name HG#) (resid 89 and name HN) 1.8 0.0 3.2

! inter

assign (resid 89 and name HA) (resid 90 and name HN) 1.8 0.0 3.2

assign (resid 89 and name HA) (resid 92 and name HB#) 1.8 0.0 1.7

assign (resid 89 and name HB1) (resid 90 and name HN) 1.8 0.0 3.2
assign (resid 89 and name HB2) (resid 90 and name HN) 1.8 0.0 1.7

assign (resid 89 and name HD#) (resid 90 and name HN) 1.8 0.0 3.2
assign (resid 89 and name HG#) (resid 90 and name HN) 1.8 0.0 3.2








!Asp90

! intra

assign (resid 90 and name HA) (resid 90 and name HN) 1.8 0.0 3.2

assign (resid 90 and name HB1) (resid 90 and name HN) 1.8 0.0 1.7
assign (resid 90 and name HB2) (resid 90 and name HN) 1.8 0.0 3.2

assign (resid 90 and name HB1) (resid 90 and name HA) 1.8 0.0 3.2
assign (resid 90 and name HB2) (resid 90 and name HA) 1.8 0.0 3.2



! inter

assign (resid 90 and name HN) (resid 89 and name HN) 1.8 0.0 3.2

assign (resid 90 and name HN) (resid 91 and name HN) 1.8 0.0 3.2

assign (resid 90 and name HN) (resid 92 and name HN) 1.8 0.0 3.2

assign (resid 90 and name HA) (resid 91 and name HN) 1.8 0.0 3.2

assign (resid 90 and name HA) (resid 93 and name HN) 1.8 0.0 3.2

assign (resid 90 and name HA) (resid 94 and name HN) 1.8 0.0 3.2


assign (resid 90 and name HB1) (resid 91 and name HN) 1.8 0.0 3.2
assign (resid 90 and name HB2) (resid 91 and name HN) 1.8 0.0 3.2

assign (resid 90 and name HB#) (resid 85 and (name HD2# or name HD1#)) 1.8 0.0 1.7












!Arg91

! intra

assign (resid 91 and name HA) (resid 91 and name HN) 1.8 0.0 1.7

assign (resid 91 and name HB#) (resid 91 and name HN) 1.8 0.0 1.7

assign (resid 91 and name HD#) (resid 91 and name HN) 1.8 0.0 3.2

! inter

assign (resid 91 and name HA) (resid 92 and name HN) 1.8 0.0 3.2

assign (resid 91 and name HA) (resid 93 and name HN) 1.8 0.0 3.5   

assign (resid 91 and name HA) (resid 94 and name HN) 1.8 0.0 3.2

assign (resid 91 and name HB#) (resid 92 and name HN) 1.8 0.0 1.7

assign (resid 91 and name HD#) (resid 92 and name HN) 1.8 0.0 3.2





!Asn92

! intra

assign (resid 92 and name HA) (resid 92 and name HN) 1.8 0.0 1.7

assign (resid 92 and name HB1) (resid 92 and name HN) 1.8 0.0 1.7
assign (resid 92 and name HB2) (resid 92 and name HN) 1.8 0.0 1.7
assign (resid 92 and name HA) (resid 92 and name HD22) 1.8 0.0 3.2  
assign (resid 92 and name HA) (resid 92 and name HD21) 1.8 0.0 3.2  


assign (resid 92 and name HB1) (resid 92 and (name HD22 or name HD21)) 1.8 0.0 3.2  

assign (resid 92 and name HB2) (resid 92 and (name HD22 or name HD21)) 1.8 0.0 3.2  






! inter

assign (resid 92 and name HN) (resid 91 and name HN) 1.8 0.0 3.2

assign (resid 92 and name HA) (resid 93 and name HN) 1.8 0.0 3.2

assign (resid 92 and name HB#) (resid 1 and name HA#) 1.8 0.0 4.2

assign (resid 92 and name HB#) (resid 89 and name HA) 1.8 0.0 3.2

assign (resid 92 and name HB#) (resid 90 and name HA) 1.8 0.0 3.5


assign (resid 92 and name HB1) (resid 93 and name HN) 1.8 0.0 3.2
assign (resid 92 and name HB2) (resid 93 and name HN) 1.8 0.0 3.2

assign (resid 92 and name HB#) (resid 96 and name HG2#) 1.8 0.0 4.2









!Asp93

! intra

assign (resid 93 and name HA) (resid 93 and name HN) 1.8 0.0 3.2

assign (resid 93 and name HB1) (resid 93 and name HN) 1.8 0.0 1.7
assign (resid 93 and name HB2) (resid 93 and name HN) 1.8 0.0 1.7

assign (resid 93 and name HB1) (resid 93 and name HA) 1.8 0.0 1.7
assign (resid 93 and name HB2) (resid 93 and name HA) 1.8 0.0 1.7


! inter

assign (resid 93 and name HA) (resid 2 and name HN) 1.8 0.0 3.5

assign (resid 93 and name HA) (resid 94 and name HN) 1.8 0.0 3.2

assign (resid 93 and name HB#) (resid 94 and name HN) 1.8 0.0 1.7

assign (resid 93 and name HB1) (resid 2 and name HN) 1.8 0.0 3.2

assign (resid 93 and name HB#) (resid 6 and name HN) 1.8  0.0  1.1

assign (resid 93 and name HN) (resid 2 and name HN) 1.8 0.0 4.2

assign (resid 93 and name HN) (resid 95 and name HN) 1.8 0.0 3.2

assign (resid 93 and name HA) (resid 95 and name HN) 1.8 0.0 3.2

assign (resid 93 and name HA) (resid 96 and name HN) 1.8 0.0 3.2



!Leu94

! intra

assign (resid 94 and name HA) (resid 94 and name HN) 1.8 0.0 3.2

assign (resid 94 and name HB1) (resid 94 and name HN) 1.8 0.0 1.7
assign (resid 94 and name HB2) (resid 94 and name HN) 1.8 0.0 1.7

assign (resid 94 and name HD1#) (resid 94 and name HN) 1.8 0.0 3.2
assign (resid 94 and name HD2#) (resid 94 and name HN) 1.8 0.0 3.2

assign (resid 94 and name HG) (resid 94 and name HN) 1.8 0.0 3.2   

assign (resid 94 and name HD1#) (resid 94 and name HA) 1.8 0.0 3.2   
assign (resid 94 and name HD2#) (resid 94 and name HA) 1.8 0.0 3.2    

assign (resid 94 and name HD1#) (resid 94 and (name HB1 or name HB2)) 1.8 0.0 1.1   
assign (resid 94 and name HD2#) (resid 94 and (name HB1 or name HB2)) 1.8 0.0 1.1    


! inter

assign (resid 94 and name HN) (resid 93 and name HN) 1.8 0.0 1.1

assign (resid 94 and name HN) (resid 95 and name HN) 1.8 0.0 3.2

assign (resid 94 and name HA) (resid 95 and name HN) 1.8 0.0 3.2


assign (resid 94 and name HA) (resid 6 and name HA#) 1.8 0.0 3.2

assign (resid 94 and name HA) (resid 98 and name HG) 1.8 0.0 3.5

assign (resid 94 and name HA) (resid 97 and name HN) 1.8 0.0 3.2   

assign (resid 94 and name HB1) (resid 91 and name HA) 1.8 0.0 1.7
assign (resid 94 and name HB2) (resid 91 and name HA) 1.8 0.0 1.7


assign (resid 94 and name HB1) (resid 95 and name HN) 1.8 0.0 1.7
assign (resid 94 and name HB2) (resid 95 and name HN) 1.8 0.0 3.2


assign (resid 94 and name HD1#) (resid 98 and name HN) 1.8 0.0 4.2      
assign (resid 94 and name HD2#) (resid 98 and name HN) 1.8 0.0 4.2      

assign (resid 94 and name HD1#) (resid 11 and name HN) 1.8 0.0 4.2      
assign (resid 94 and name HD2#) (resid 11 and name HN) 1.8 0.0 5.0       

assign (resid 94 and name HD1#) (resid 9 and name HG) 1.8 0.0 3.2      
assign (resid 94 and name HD2#) (resid 9 and name HG) 1.8 0.0 4.2      


assign (resid 94 and name HD2#) (resid 6 and name HA1) 1.8 0.0 3.5
assign (resid 94 and name HD2#) (resid 6 and name HA2) 1.8 0.0 3.5     

assign (resid 94 and name HD1#) (resid 6 and (name HA1 or name HA2)) 1.8 0.0 3.2      

assign (resid 94 and name HD1#) (resid 10 and name HA) 1.8 0.0 3.2
assign (resid 94 and name HD2#) (resid 10 and name HA) 1.8 0.0 3.2

assign (resid 94 and name HD1#) (resid 10 and name HN) 1.8 0.0 3.2
assign (resid 94 and name HD2#) (resid 10 and name HN) 1.8 0.0 3.2



assign (resid 94 and name HD2#) (resid 10 and name HB1) 1.8 0.0 4.2
assign (resid 94 and name HD2#) (resid 10 and name HB2) 1.8 0.0 3.2
assign (resid 94 and name HD1#) (resid 10 and name HB1) 1.8 0.0 3.2
assign (resid 94 and name HD1#) (resid 10 and name HB2) 1.8 0.0 3.2



assign (resid 94 and name HD1#) (resid 9 and name HB#) 1.8 0.0 3.2

assign (resid 94 and name HD2#) (resid 9 and name HB#) 1.8 0.0 3.2  

assign (resid 94 and (name HD1# or name HD2#)) (resid 9 and name HG) 1.8 0.0 4.2

assign (resid 94 and (name HD1# or name HD2#)) (resid 95 and name HN) 1.8 0.0 3.2

assign (resid 94 and name HD1#) (resid 104 and name HBB#) 1.8 0.0 1.1

assign (resid 94 and name HD2#) (resid 104 and name HBB#) 1.8 0.0 1.1





!Ile95

! intra


assign (resid 95 and name HA) (resid 95 and name HN) 1.8 0.0 1.7

assign (resid 95 and name HB) (resid 95 and name HN) 1.8 0.0 1.1

assign (resid 95 and name HG2#) (resid 95 and name HN) 1.8 0.0 3.2

assign (resid 95 and name HD1#) (resid 95 and name HN) 1.8 0.0 1.7

assign (resid 95 and name HB) (resid 95 and name HA) 1.8 0.0 1.1

assign (resid 95 and name HG2#) (resid 95 and name HA) 1.8 0.0 3.2

assign (resid 95 and name HD1#) (resid 95 and name HA) 1.8 0.0 3.2





! inter

assign (resid 95 and name HA) (resid 96 and name HN) 1.8 0.0 3.2

assign (resid 95 and name HD1#) (resid 96 and name HN) 1.8 0.0 3.2   

assign (resid 95 and name HN) (resid 96 and name HN) 1.8 0.0 3.2   

assign (resid 95 and name HA) (resid 98 and name HN) 1.8 0.0 3.2 

assign (resid 95 and name HB) (resid -3 and name HD#) 1.8 0.0 3.2

assign (resid 95 and name HB) (resid -3 and name HE#) 1.8 0.0 1.7

assign (resid 95 and name HB) (resid -3 and name HZ) 1.8  0.0  3.2

assign (resid 95 and name HB) (resid 96 and name HN) 1.8 0.0 1.1

assign (resid 95 and name HG1#) (resid 36 and name HZ) 1.8 0.0 3.2


assign (resid 95 and name HD1#) (resid -3 and name HD#) 1.8 0.0 4.2

assign (resid 95 and name HD1#) (resid -3 and name HE#) 1.8 0.0 3.2



assign (resid 95 and name HG2#) (resid -3 and name HD#) 1.8 0.0 3.2

assign (resid 95 and name HG2#) (resid -3 and name HE#) 1.8 0.0 1.7

assign (resid 95 and name HG2#) (resid -3 and name HZ) 1.8 0.0 3.2

assign (resid 95 and name HN) (resid -3 and name HD#) 1.8 0.0 5.0

assign (resid 95 and name HG2#) (resid 36 and name HZ) 1.8 0.0 1.1


assign (resid 95 and name HG2#) (resid 61 and name HN) 1.8 0.0 3.2

assign (resid 95 and name HG2#) (resid 98 and name HN) 1.8 0.0 3.2    

assign (resid 95 and name HG2#) (resid 61 and name HA) 1.8 0.0 1.7

assign (resid 95 and name HG2#) (resid 61 and name HB1) 1.8 0.0 3.2
assign (resid 95 and name HG2#) (resid 61 and name HB2) 1.8 0.0 3.2

assign (resid 95 and name HG2#) (resid 64 and name HG#) 1.8 0.0 1.7

assign (resid 95 and name HG2#) (resid 96 and name HN) 1.8 0.0 3.2










!Thr96

! intra

assign (resid 96 and name HA) (resid 96 and name HN) 1.8 0.0 1.7

assign (resid 96 and name HB) (resid 96 and name HN) 1.8 0.0 3.2

assign (resid 96 and name HG2#) (resid 96 and name HN) 1.8 0.0 3.2

assign (resid 96 and name HG2#) (resid 96 and name HB) 1.8 0.0 1.7

assign (resid 96 and name HG2#) (resid 96 and name HA) 1.8 0.0 1.7


! inter

assign (resid 96 and name HA) (resid -3 and name HE#) 1.8 0.0 3.2

assign (resid 96 and name HA) (resid -3 and name HZ) 1.8 0.0 3.2

assign (resid 96 and name HA) (resid 97 and name HN) 1.8 0.0 3.2

assign (resid 96 and name HB) (resid 97 and name HN) 1.8 0.0 3.2

assign (resid 96 and name HA) (resid 98 and name HN) 1.8 0.0 3.2

assign (resid 96 and name HA) (resid 99 and name HN) 1.8 0.0 3.2

assign (resid 96 and name HG2#) (resid 1 and (name HA1 or name HA2)) 1.8 0.0 3.2

assign (resid 96 and name HG2#) (resid 1 and name HN) 1.8 0.0 3.2

!!! assign (resid 96 and name HG2#) (resid -3 and name HA) 1.8 0.0 4.2

assign (resid 96 and name HG2#) (resid -3 and name HE#) 1.8 0.0 1.7

assign (resid 96 and name HG2#) (resid -3 and name HZ) 1.8  0.0  3.5

assign (resid 96 and name HG2#) (resid 97 and name HN) 1.8 0.0 3.2

assign (resid 96 and name HN) (resid 99 and name HG#) 1.8 0.0 4.2   









!Tyr97

! intra

assign (resid 97 and name HA) (resid 97 and name HN) 1.8 0.0 1.7

assign (resid 97 and name HB1) (resid 97 and name HN) 1.8 0.0 1.7
assign (resid 97 and name HB2) (resid 97 and name HN) 1.8 0.0 3.2

assign (resid 97 and name HB1) (resid 97 and name HA) 1.8 0.0 1.7
assign (resid 97 and name HB2) (resid 97 and name HA) 1.8 0.0 3.2


! inter

assign (resid 97 and name HN) (resid 96 and name HN) 1.8 0.0 3.2

assign (resid 97 and name HA) (resid 98 and name HN) 1.8 0.0 3.2

assign (resid 97 and (name HB1 or name HB2)) (resid 3 and name HA) 1.8 0.0 5.0

assign (resid 97 and name HB1) (resid 7 and name HN) 1.8 0.0 3.2
assign (resid 97 and name HB2) (resid 7 and name HN) 1.8 0.0 3.2

assign (resid 97 and name HB1) (resid 98 and name HN) 1.8 0.0 3.2
assign (resid 97 and name HB2) (resid 98 and name HN) 1.8 0.0 3.2

assign (resid 97 and name HD#) (resid 98 and name HG) 1.8 0.0 3.2







!Leu98

! intra

assign (resid 98 and name HA) (resid 98 and name HN) 1.8 0.0 3.2

assign (resid 98 and name HB#) (resid 98 and name HN) 1.8 0.0 1.1

assign (resid 98 and name HD1#) (resid 98 and name HN) 1.8 0.0 3.2

assign (resid 98 and name HD2#) (resid 98 and name HN) 1.8 0.0 3.2






! inter

assign (resid 98 and name HN) (resid 96 and name HN) 1.8 0.0 3.2

assign (resid 98 and name HA) (resid 99 and name HN) 1.8 0.0 1.7

assign (resid 98 and name HA) (resid 101 and name HN) 1.8 0.0 3.2


assign (resid 98 and name HN) (resid 99 and name HN) 1.8 0.0 1.7

assign (resid 98 and name HD1#) (resid 99 and name HN) 1.8 0.0 3.2

assign (resid 98 and name HD2#) (resid 99 and name HN) 1.8 0.0 3.2

assign (resid 98 and name HD1#) (resid 32 and name HD1#) 1.8 0.0 3.2

assign (resid 98 and name HD2#) (resid 32 and name HD1#) 1.8 0.0 3.2

assign (resid 98 and name HD1#) (resid 32 and name HD2#) 1.8 0.0 3.2

assign (resid 98 and name HD2#) (resid 32 and name HD2#) 1.8 0.0 3.2


assign (resid 98 and name HD1#) (resid 104 and name HBB#) 1.8 0.0 3.2

assign (resid 98 and name HD2#) (resid 104 and name HBB#) 1.8 0.0 3.2

assign (resid 98 and name HD1#) (resid 68 and name HD2#) 1.8 0.0 3.2
assign (resid 98 and name HD1#) (resid 68 and name HD1#) 1.8 0.0 4.2



!Lys99

! intra

assign (resid 99 and name HA) (resid 99 and name HN) 1.8 0.0 3.2

assign (resid 99 and name HB1) (resid 99 and name HN) 1.8 0.0 1.7
assign (resid 99 and name HB2) (resid 99 and name HN) 1.8 0.0 1.7

assign (resid 99 and name HG#) (resid 99 and name HN) 1.8 0.0 3.2

assign (resid 99 and name HD#) (resid 99 and name HN) 1.8 0.0 3.2

assign (resid 99 and name HB1) (resid 99 and name HA) 1.8 0.0 1.7
assign (resid 99 and name HB2) (resid 99 and name HA) 1.8 0.0 1.7

assign (resid 99 and name HG#) (resid 99 and name HA) 1.8 0.0 3.2

assign (resid 99 and name HD#) (resid 99 and name HA) 1.8 0.0 3.2



! inter

assign (resid 99 and name HA) (resid 36 and name HD#) 1.8 0.0 3.2

assign (resid 99 and name HA) (resid 36 and name HE#) 1.8 0.0 3.2

assign (resid 99 and name HA) (resid 98 and name HD#) 1.8 0.0 3.2

assign (resid 99 and name HA) (resid 100 and name HN) 1.8 0.0 3.2

assign (resid 99 and name HB#) (resid 96 and name HA) 1.8 0.0 3.2

assign (resid 99 and name HB#) (resid 100 and name HN) 1.8 0.0 1.7

assign (resid 99 and name HG#) (resid 96 and name HA) 1.8 0.0 3.2

assign (resid 99 and name HD#) (resid -3 and name HE#) 1.8 0.0 3.2










!Lys100

! intra

assign (resid 100 and name HA) (resid 100 and name HN) 1.8 0.0 1.7

assign (resid 100 and name HB#) (resid 100 and name HN) 1.8 0.0 1.1

assign (resid 100 and name HG#) (resid 100 and name HN) 1.8 0.0 3.2

assign (resid 100 and name HD1) (resid 100 and name HN) 1.8 0.0 3.2
assign (resid 100 and name HD2) (resid 100 and name HN) 1.8 0.0 3.2

assign (resid 100 and name HB#) (resid 100 and name HA) 1.8 0.0 1.1

assign (resid 100 and name HG#) (resid 100 and name HA) 1.8 0.0 3.2

assign (resid 100 and name HD1) (resid 100 and name HA) 1.8 0.0 4.2
assign (resid 100 and name HD2) (resid 100 and name HA) 1.8 0.0 4.2



! inter

assign (resid 100 and name HN) (resid 99 and name HN) 1.8 0.0 3.2

assign (resid 100 and name HN) (resid 101 and name HN) 1.8 0.0 1.1

assign (resid 100 and name HN) (resid 103 and name HB#) 1.8 0.0 4.5

assign (resid 100 and name HA) (resid 101 and name HN) 1.8 0.0 1.7

assign (resid 100 and name HB#) (resid 101 and name HN) 1.8 0.0 1.7

assign (resid 100 and name HD1) (resid 101 and name HN) 1.8 0.0 3.5
assign (resid 100 and name HD2) (resid 101 and name HN) 1.8 0.0 3.5

assign (resid 100 and name HG#) (resid 101 and name HN) 1.8 0.0 3.2








!Ala101

! intra

assign (resid 101 and name HA) (resid 101 and name HN) 1.8 0.0 1.1

assign (resid 101 and name HB#) (resid 101 and name HN) 1.8 0.0 1.1



! inter

assign (resid 101 and name HN) (resid 102 and name HN) 1.8 0.0 1.7

assign (resid 101 and name HA) (resid 100 and name HN) 1.8 0.0 4.2

assign (resid 101 and name HA) (resid 102 and name HN) 1.8 0.0 3.2

assign (resid 101 and name HA) (resid 103 and name HN) 1.8 0.0 3.2


assign (resid 101 and name HB#) (resid 100 and name HN) 1.8 0.0 3.2

assign (resid 101 and name HB#) (resid 102 and name HN) 1.8 0.0 1.7

assign (resid 101 and name HB#) (resid 103 and name HN) 1.8 0.0 3.2









!Thr102

! intra

assign (resid 102 and name HG2#) (resid 102 and name HN) 1.8 0.0 1.1

assign (resid 102 and name HB) (resid 102 and name HN) 1.8 0.0 3.2

assign (resid 102 and name HG2#) (resid 102 and name HB) 1.8 0.0 1.1



! inter

assign (resid 102 and name HB) (resid 103 and name HN) 1.8 0.0 3.2

assign (resid 102 and name HG2#) (resid 103 and name HN) 1.8 0.0 3.2






!Glu103

! intra

assign (resid 103 and name HA) (resid 103 and name HN) 1.8 0.0 1.1

assign (resid 103 and name HB1) (resid 103 and name HN) 1.8 0.0 3.2
assign (resid 103 and name HB2) (resid 103 and name HN) 1.8 0.0 1.1


! inter

assign (resid 103 and name HN) (resid 102 and name HN) 1.8 0.0 1.1

assign (resid 103 and name HN) (resid 101 and name HN) 1.8 0.0 3.2

assign (resid 103 and name HB#) (resid 100 and name HA) 1.8 0.0 3.5









! hec104

! intra

assign (resid 104 and name HAB) (resid 104 and name HBB#) 1.8 0.0 1.7
assign (resid 104 and name HAB) (resid 104 and name HC)   1.8 0.0 3.2


assign (resid 104 and name HAA1) (resid 104 and name HBA1) 1.8 0.0 1.7
assign (resid 104 and name HAA1) (resid 104 and name HBA2) 1.8 0.0 1.7
assign (resid 104 and name HAA2) (resid 104 and name HBA1) 1.8 0.0 1.7
assign (resid 104 and name HAA2) (resid 104 and name HBA2) 1.8 0.0 1.7

assign (resid 104 and name HAA2) (resid 104 and name HA) 1.8 0.0 3.2
assign (resid 104 and name HAA1) (resid 104 and name HA) 1.8 0.0 3.2

assign (resid 104 and name HAD1) (resid 104 and name HA) 1.8 0.0 3.2
assign (resid 104 and name HBA1) (resid 104 and name HAA1) 1.8 0.0 1.7
assign (resid 104 and name HBA2) (resid 104 and name HAA1) 1.8 0.0 1.7
assign (resid 104 and name HBA1) (resid 104 and name HAA2) 1.8 0.0 1.7
assign (resid 104 and name HBA2) (resid 104 and name HAA2) 1.8 0.0 1.7

assign (resid 104 and name HBC#) (resid 104 and name HMC#) 1.8 0.0 1.7

assign (resid 104 and name HBD2) (resid 104 and name HAD2) 1.8 0.0 1.7


assign (resid 104 and name HMA#) (resid 104 and name HAA1) 1.8 0.0 1.7
assign (resid 104 and name HMA#) (resid 104 and name HAA2) 1.8 0.0 1.7
assign (resid 104 and name HMA#) (resid 104 and name HB)   1.8 0.0 1.7
assign (resid 104 and name HMA#) (resid 104 and name HBA1) 1.8 0.0 3.2



assign (resid 104 and name HMB#) (resid 104 and name HB) 1.8 0.0 1.7
assign (resid 104 and name HMB#) (resid 104 and name HBB#) 1.8 0.0 1.1

assign (resid 104 and name HMC#) (resid 104 and name HAC) 1.8 0.0 1.7
assign (resid 104 and name HMC#) (resid 104 and name HBC#) 1.8 0.0 1.7
assign (resid 104 and name HMC#) (resid 104 and name HC) 1.8 0.0 1.1



assign (resid 104 and name HMD#) (resid 104 and name HAD1) 1.8 0.0 1.7
assign (resid 104 and name HMD#) (resid 104 and name HAD2) 1.8 0.0 1.7 
assign (resid 104 and name HMD#) (resid 104 and name HBD1) 1.8 0.0 1.7
assign (resid 104 and name HMD#) (resid 104 and name HBD2) 1.8 0.0 3.2  
assign (resid 104 and name HMD#) (resid 104 and name HD) 1.8 0.0 1.1


assign (resid 104 and name HAB) (resid 104 and name HBB#) 1.8 0.0 1.1

assign (resid 104 and name HC) (resid 104 and name HMC#) 1.8 0.0 1.7

assign (resid 104 and name HD) (resid 104 and name HAC) 1.8 0.0 1.7
assign (resid 104 and name HD) (resid 104 and name HBC#) 1.8 0.0 3.2
assign (resid 104 and name HD) (resid 104 and name HMD#) 1.8 0.0 1.7


! inter

assign (resid 104 and name HMA#) (resid 32 and (name HD2# or name HD1#)) 1.8 0.0 1.7

assign (resid 104 and name HMA#) (resid 35 and name HD1#) 1.8 0.0 3.2

assign (resid 104 and name HMA#) (resid 35 and name HG1#) 1.8 0.0 3.2

assign (resid 104 and name HMA#) (resid 67 and name HD1) 1.8 0.0 3.5


assign (resid 104 and name HMB#) (resid 32 and (name HD2# or name HD1#)) 1.8 0.0 3.2

assign (resid 104 and name HMB#) (resid 68 and name HD2#) 1.8 0.0 1.7
assign (resid 104 and name HMB#) (resid 68 and name HD1#) 1.8 0.0 1.7


assign (resid 104 and name HMB#) (resid 94 and name HD2#) 1.8 0.0 1.7    

assign (resid 104 and name HMB#) (resid 94 and name HD1#) 1.8 0.0 3.2


assign (resid 104 and name HMB#) (resid 94 and name HG) 1.8 0.0 3.5

assign (resid 104 and name HMB#) (resid 98 and name HD#) 1.8 0.0 3.2

assign (resid 104 and name HMC#) (resid 17 and name HB#) 1.8 0.0 3.2

assign (resid 104 and name HMC#) (resid 82 and name HD#) 1.8 0.0 3.5

assign (resid 104 and name HMD#) (resid 79 and (name HB1 or name HB2)) 1.8 0.0 3.2

assign (resid 104 and name HMD#) (resid 79 and name HD#) 1.8 0.0 3.2

assign (resid 104 and name HMD#) (resid 79 and (name HE1 or name HE2)) 1.8 0.0 3.2

assign (resid 104 and name HMD#) (resid 29 and name HA1) 1.8 0.0 3.2
assign (resid 104 and name HMD#) (resid 29 and name HA2) 1.8 0.0 1.7
assign (resid 104 and name HMD#) (resid 30 and name HB1) 1.8 0.0 4.5
!assign (resid 104 and name HMD#) (resid 30 and name HB2) 1.8 0.0 4.2


! assign (resid  104 and name FE) (resid  80 and name SD)  2.43 0.0 0.72
! assign (resid  104 and name FE) (resid  18 and name NE2) 2.01 0.0 0.60



  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   THR  -5           1HT      THR  -5 -18.860  -6.342  -0.152
    2    H2   THR  -5           2HT      THR  -5 -18.529  -4.910   0.701
    3    H3   THR  -5           3HT      THR  -5 -20.107  -5.537   0.668
    4    HA   THR  -5           HA       THR  -5 -18.840  -5.933   2.781
    5    HB   THR  -5           HB       THR  -5 -19.363  -8.649   2.015
    6    HG1  THR  -5           1HG      THR  -5 -20.863  -6.658   0.763
    7   HG21  THR  -5          1HG2      THR  -5 -19.827  -7.624   4.210
    8   HG22  THR  -5          2HG2      THR  -5 -21.285  -8.336   3.522
    9   HG23  THR  -5          3HG2      THR  -5 -21.047  -6.591   3.467
   10    H    GLU  -4           H        GLU  -4 -17.035  -6.226   0.112
   11    HA   GLU  -4           HA       GLU  -4 -15.389  -8.505   0.500
   12    HB2  GLU  -4           2HB      GLU  -4 -15.314  -6.991  -1.498
   13    HB3  GLU  -4           1HB      GLU  -4 -14.497  -5.785  -0.502
   14    HG2  GLU  -4           2HG      GLU  -4 -12.705  -7.449  -0.016
   15    HG3  GLU  -4           1HG      GLU  -4 -13.496  -8.581  -1.113
   16    H    PHE  -3           H        PHE  -3 -15.431  -5.383   2.126
   17    HA   PHE  -3           HA       PHE  -3 -12.936  -6.033   3.582
   18    HB2  PHE  -3           2HB      PHE  -3 -13.370  -3.702   2.790
   19    HB3  PHE  -3           1HB      PHE  -3 -14.770  -3.632   3.860
   20    HD1  PHE  -3           1HD      PHE  -3 -14.444  -3.894   6.350
   21    HD2  PHE  -3           2HD      PHE  -3 -11.156  -3.400   3.629
   22    HE1  PHE  -3           1HE      PHE  -3 -12.969  -3.264   8.244
   23    HE2  PHE  -3           2HE      PHE  -3  -9.684  -2.768   5.524
   24    HZ   PHE  -3           HZ       PHE  -3 -10.593  -2.702   7.829
   25    H    LYS  -2           H        LYS  -2 -12.953  -6.913   5.603
   26    HA   LYS  -2           HA       LYS  -2 -15.599  -7.252   6.931
   27    HB2  LYS  -2           2HB      LYS  -2 -14.546  -9.079   8.163
   28    HB3  LYS  -2           1HB      LYS  -2 -14.267  -9.305   6.436
   29    HG2  LYS  -2           2HG      LYS  -2 -12.041  -8.179   6.708
   30    HG3  LYS  -2           1HG      LYS  -2 -12.318  -8.153   8.450
   31    HD2  LYS  -2           2HD      LYS  -2 -12.285 -10.650   6.734
   32    HD3  LYS  -2           1HD      LYS  -2 -10.961 -10.113   7.770
   33    HE2  LYS  -2           2HE      LYS  -2 -12.992 -10.042   9.552
   34    HE3  LYS  -2           1HE      LYS  -2 -13.559 -11.342   8.506
   35    HZ1  LYS  -2           3HZ      LYS  -2 -11.906 -11.773  10.497
   36    HZ2  LYS  -2           1HZ      LYS  -2 -10.754 -11.388   9.314
   37    HZ3  LYS  -2           2HZ      LYS  -2 -11.832 -12.677   9.060
   38    H    ALA  -1           H        ALA  -1 -15.601  -7.009   9.329
   39    HA   ALA  -1           HA       ALA  -1 -14.447  -4.520  10.140
   40    HB1  ALA  -1           1HB      ALA  -1 -16.487  -5.574  11.162
   41    HB2  ALA  -1           2HB      ALA  -1 -15.301  -5.035  12.349
   42    HB3  ALA  -1           3HB      ALA  -1 -15.430  -6.747  11.946
   43    H    GLY   1           H        GLY   1 -12.203  -4.516   9.925
   44    HA2  GLY   1           2HA      GLY   1 -10.702  -6.539  11.535
   45    HA3  GLY   1           1HA      GLY   1 -10.032  -5.685  10.146
   46    H    SER   2           H        SER   2  -8.587  -5.577  12.456
   47    HA   SER   2           HA       SER   2  -9.210  -2.884  13.606
   48    HB2  SER   2           2HB      SER   2  -9.076  -4.780  15.233
   49    HB3  SER   2           1HB      SER   2  -7.411  -5.055  14.727
   50    HG   SER   2           HG       SER   2  -6.988  -3.621  16.210
   51    H    ALA   3           H        ALA   3  -7.804  -1.255  13.154
   52    HA   ALA   3           HA       ALA   3  -5.607  -1.721  11.314
   53    HB1  ALA   3           1HB      ALA   3  -6.446   0.381  10.932
   54    HB2  ALA   3           2HB      ALA   3  -5.199   0.822  12.096
   55    HB3  ALA   3           3HB      ALA   3  -6.871   0.634  12.624
   56    H    LYS   4           H        LYS   4  -5.905  -1.660  14.759
   57    HA   LYS   4           HA       LYS   4  -3.346  -0.756  15.538
   58    HB2  LYS   4           2HB      LYS   4  -5.221  -1.323  17.097
   59    HB3  LYS   4           1HB      LYS   4  -4.902  -3.032  16.800
   60    HG2  LYS   4           2HG      LYS   4  -2.575  -2.719  17.610
   61    HG3  LYS   4           1HG      LYS   4  -2.943  -1.030  17.967
   62    HD2  LYS   4           2HD      LYS   4  -4.788  -1.814  19.478
   63    HD3  LYS   4           1HD      LYS   4  -4.241  -3.471  19.213
   64    HE2  LYS   4           2HE      LYS   4  -2.097  -3.003  20.202
   65    HE3  LYS   4           1HE      LYS   4  -2.438  -1.274  20.258
   66    HZ1  LYS   4           3HZ      LYS   4  -3.603  -1.498  22.127
   67    HZ2  LYS   4           1HZ      LYS   4  -2.890  -3.030  22.269
   68    HZ3  LYS   4           2HZ      LYS   4  -4.431  -2.872  21.570
   69    H    LYS   5           H        LYS   5  -4.347  -4.113  14.740
   70    HA   LYS   5           HA       LYS   5  -1.730  -5.232  15.072
   71    HB2  LYS   5           2HB      LYS   5  -4.030  -6.123  13.305
   72    HB3  LYS   5           1HB      LYS   5  -2.598  -7.094  13.651
   73    HG2  LYS   5           2HG      LYS   5  -3.127  -6.931  16.088
   74    HG3  LYS   5           1HG      LYS   5  -4.616  -6.080  15.675
   75    HD2  LYS   5           2HD      LYS   5  -5.304  -8.040  14.288
   76    HD3  LYS   5           1HD      LYS   5  -3.865  -8.897  14.842
   77    HE2  LYS   5           2HE      LYS   5  -4.811  -8.188  17.234
   78    HE3  LYS   5           1HE      LYS   5  -6.338  -8.170  16.352
   79    HZ1  LYS   5           3HZ      LYS   5  -6.185 -10.346  17.042
   80    HZ2  LYS   5           1HZ      LYS   5  -4.504 -10.419  16.839
   81    HZ3  LYS   5           2HZ      LYS   5  -5.526 -10.442  15.480
   82    H    GLY   6           H        GLY   6  -3.432  -4.045  12.175
   83    HA2  GLY   6           2HA      GLY   6  -1.234  -4.504  10.379
   84    HA3  GLY   6           1HA      GLY   6  -2.608  -3.444  10.068
   85    H    ALA   7           H        ALA   7  -2.059  -1.886  12.566
   86    HA   ALA   7           HA       ALA   7  -0.508   0.197  11.442
   87    HB1  ALA   7           1HB      ALA   7  -2.064   0.433  13.396
   88    HB2  ALA   7           2HB      ALA   7  -0.492   1.185  13.660
   89    HB3  ALA   7           3HB      ALA   7  -0.858  -0.375  14.396
   90    H    THR   8           H        THR   8   0.471  -2.369  13.723
   91    HA   THR   8           HA       THR   8   3.204  -1.447  13.892
   92    HB   THR   8           HB       THR   8   3.634  -3.582  14.983
   93    HG1  THR   8           1HG      THR   8   2.609  -5.092  13.861
   94   HG21  THR   8          3HG2      THR   8   2.356  -3.158  16.837
   95   HG22  THR   8          1HG2      THR   8   0.857  -3.077  15.912
   96   HG23  THR   8          2HG2      THR   8   1.959  -1.700  15.927
   97    H    LEU   9           H        LEU   9   1.516  -3.822  11.841
   98    HA   LEU   9           HA       LEU   9   3.825  -4.912  10.570
   99    HB2  LEU   9           2HB      LEU   9   1.463  -5.772  10.314
  100    HB3  LEU   9           1HB      LEU   9   1.132  -4.388   9.269
  101    HG   LEU   9           HG       LEU   9   3.299  -5.224   8.004
  102   HD11  LEU   9          1HD1      LEU   9   3.893  -7.438   8.283
  103   HD12  LEU   9          2HD1      LEU   9   2.286  -7.908   8.839
  104   HD13  LEU   9          3HD1      LEU   9   3.387  -7.067   9.931
  105   HD21  LEU   9          3HD2      LEU   9   0.655  -6.698   7.786
  106   HD22  LEU   9          1HD2      LEU   9   1.861  -6.520   6.512
  107   HD23  LEU   9          2HD2      LEU   9   0.979  -5.109   7.094
  108    H    PHE  10           H        PHE  10   1.869  -2.048   9.900
  109    HA   PHE  10           HA       PHE  10   3.206  -1.212   7.513
  110    HB2  PHE  10           2HB      PHE  10   1.026  -0.301   8.382
  111    HB3  PHE  10           1HB      PHE  10   1.923   0.519   9.655
  112    HD1  PHE  10           2HD      PHE  10   1.336   0.345   6.003
  113    HD2  PHE  10           1HD      PHE  10   3.234   2.485   9.206
  114    HE1  PHE  10           2HE      PHE  10   1.800   2.235   4.465
  115    HE2  PHE  10           1HE      PHE  10   3.688   4.374   7.670
  116    HZ   PHE  10           HZ       PHE  10   2.979   4.251   5.304
  117    H    LYS  11           H        LYS  11   3.697  -0.414  10.938
  118    HA   LYS  11           HA       LYS  11   5.918   1.347  10.581
  119    HB2  LYS  11           2HB      LYS  11   4.509   1.015  12.687
  120    HB3  LYS  11           1HB      LYS  11   5.440  -0.454  12.965
  121    HG2  LYS  11           2HG      LYS  11   7.535   0.873  12.920
  122    HG3  LYS  11           1HG      LYS  11   6.583   2.342  12.707
  123    HD2  LYS  11           2HD      LYS  11   5.402   1.838  14.851
  124    HD3  LYS  11           1HD      LYS  11   6.474   0.456  15.079
  125    HE2  LYS  11           2HE      LYS  11   7.902   2.950  14.468
  126    HE3  LYS  11           1HE      LYS  11   6.985   3.016  15.972
  127    HZ1  LYS  11           3HZ      LYS  11   8.972   2.109  16.646
  128    HZ2  LYS  11           1HZ      LYS  11   9.188   1.218  15.218
  129    HZ3  LYS  11           2HZ      LYS  11   8.046   0.710  16.369
  130    H    THR  12           H        THR  12   5.714  -2.158  11.049
  131    HA   THR  12           HA       THR  12   8.538  -2.581  11.341
  132    HB   THR  12           HB       THR  12   8.022  -4.938  11.029
  133    HG1  THR  12           1HG      THR  12   5.431  -4.072  10.283
  134   HG21  THR  12          3HG2      THR  12   6.529  -3.172  12.797
  135   HG22  THR  12          1HG2      THR  12   7.278  -4.729  13.146
  136   HG23  THR  12          2HG2      THR  12   5.650  -4.665  12.470
  137    H    ARG  13           H        ARG  13   6.436  -2.516   8.459
  138    HA   ARG  13           HA       ARG  13   8.897  -2.405   6.829
  139    HB2  ARG  13           2HB      ARG  13   6.773  -4.534   6.483
  140    HB3  ARG  13           1HB      ARG  13   8.021  -4.186   5.289
  141    HG2  ARG  13           2HG      ARG  13   9.749  -4.622   7.063
  142    HG3  ARG  13           1HG      ARG  13   8.447  -5.136   8.136
  143    HD2  ARG  13           2HD      ARG  13   9.339  -7.123   7.112
  144    HD3  ARG  13           1HD      ARG  13   7.772  -6.811   6.366
  145    HE   ARG  13           HE       ARG  13   9.970  -5.594   4.895
  146   HH11  ARG  13          1HH2      ARG  13   8.143  -8.452   5.514
  147   HH12  ARG  13          2HH2      ARG  13   8.475  -9.158   3.967
  148   HH21  ARG  13          1HH1      ARG  13  10.414  -6.500   2.873
  149   HH22  ARG  13          2HH1      ARG  13   9.761  -8.054   2.473
  150    H    CYS  14           H        CYS  14   7.470  -0.193   7.013
  151    HA   CYS  14           HA       CYS  14   6.487   0.225   4.342
  152    HB2  CYS  14           2HB      CYS  14   4.566  -0.997   5.679
  153    HB3  CYS  14           1HB      CYS  14   4.303   0.613   6.350
  154    H    LEU  15           H        LEU  15   6.053   1.468   7.669
  155    HA   LEU  15           HA       LEU  15   5.849   4.207   6.978
  156    HB2  LEU  15           2HB      LEU  15   5.413   3.293   9.254
  157    HB3  LEU  15           1HB      LEU  15   7.142   3.021   9.455
  158    HG   LEU  15           HG       LEU  15   7.392   5.554   8.923
  159   HD11  LEU  15          1HD1      LEU  15   5.356   6.845   9.691
  160   HD12  LEU  15          2HD1      LEU  15   4.444   5.341   9.578
  161   HD13  LEU  15          3HD1      LEU  15   5.170   6.043   8.132
  162   HD21  LEU  15          3HD2      LEU  15   6.112   4.529  11.470
  163   HD22  LEU  15          1HD2      LEU  15   6.869   6.114  11.315
  164   HD23  LEU  15          2HD2      LEU  15   7.839   4.653  11.127
  165    H    GLN  16           H        GLN  16   8.719   2.182   7.489
  166    HA   GLN  16           HA       GLN  16  10.665   4.246   7.455
  167    HB2  GLN  16           2HB      GLN  16  10.847   1.402   6.418
  168    HB3  GLN  16           1HB      GLN  16  12.231   2.466   6.674
  169    HG2  GLN  16           2HG      GLN  16  11.566   2.689   9.071
  170    HG3  GLN  16           1HG      GLN  16  10.277   1.518   8.789
  171   HE21  GLN  16          1HE2      GLN  16  12.705   0.548   6.758
  172   HE22  GLN  16          2HE2      GLN  16  13.514  -0.545   7.776
  173    H    CYS  17           H        CYS  17   9.012   2.592   4.788
  174    HA   CYS  17           HA       CYS  17  10.608   4.135   2.827
  175    HB2  CYS  17           2HB      CYS  17   8.507   1.982   2.510
  176    HB3  CYS  17           1HB      CYS  17   9.267   2.814   1.155
  177    H    HIS  18           H        HIS  18   7.217   3.767   3.861
  178    HA   HIS  18           HA       HIS  18   6.542   6.173   2.226
  179    HB2  HIS  18           2HB      HIS  18   4.857   3.928   3.362
  180    HB3  HIS  18           1HB      HIS  18   4.155   5.392   2.665
  181    HD1  HIS  18           1HD      HIS  18   4.967   5.881   0.078
  182    HD2  HIS  18           2HD      HIS  18   5.499   2.013   1.519
  183    HE1  HIS  18           1HE      HIS  18   5.251   4.391  -1.961
  184    H    THR  19           H        THR  19   6.254   8.051   3.303
  185    HA   THR  19           HA       THR  19   6.126   8.048   6.241
  186    HB   THR  19           HB       THR  19   6.330  10.463   6.049
  187    HG1  THR  19           1HG      THR  19   5.081  11.029   4.384
  188   HG21  THR  19          3HG2      THR  19   8.470  10.570   5.069
  189   HG22  THR  19          1HG2      THR  19   8.066   9.366   3.845
  190   HG23  THR  19          2HG2      THR  19   8.306   8.874   5.521
  191    H    VAL  20           H        VAL  20   3.985   8.541   3.506
  192    HA   VAL  20           HA       VAL  20   1.675   8.924   3.403
  193    HB   VAL  20           HB       VAL  20   1.870   7.618   6.131
  194   HG11  VAL  20          1HG1      VAL  20  -0.262   8.506   6.235
  195   HG12  VAL  20          2HG1      VAL  20  -0.607   7.029   5.335
  196   HG13  VAL  20          3HG1      VAL  20  -0.437   8.562   4.481
  197   HG21  VAL  20          3HG2      VAL  20   1.184   5.601   4.882
  198   HG22  VAL  20          1HG2      VAL  20   2.693   6.253   4.241
  199   HG23  VAL  20          2HG2      VAL  20   1.179   6.531   3.384
  200    H    GLU  21           H        GLU  21   3.626  10.628   5.466
  201    HA   GLU  21           HA       GLU  21   1.774  12.010   7.141
  202    HB2  GLU  21           2HB      GLU  21   4.390  12.957   5.931
  203    HB3  GLU  21           1HB      GLU  21   3.522  13.789   7.221
  204    HG2  GLU  21           2HG      GLU  21   4.532  10.933   7.375
  205    HG3  GLU  21           1HG      GLU  21   5.331  12.326   8.104
  206    H    LYS  22           H        LYS  22   0.519  13.854   6.770
  207    HA   LYS  22           HA       LYS  22  -0.287  14.362   4.044
  208    HB2  LYS  22           2HB      LYS  22  -1.731  14.606   6.127
  209    HB3  LYS  22           1HB      LYS  22  -0.864  16.109   6.442
  210    HG2  LYS  22           2HG      LYS  22  -1.523  16.933   4.190
  211    HG3  LYS  22           1HG      LYS  22  -2.455  15.455   3.946
  212    HD2  LYS  22           2HD      LYS  22  -3.251  16.427   6.456
  213    HD3  LYS  22           1HD      LYS  22  -3.182  17.845   5.413
  214    HE2  LYS  22           2HE      LYS  22  -4.603  15.267   4.696
  215    HE3  LYS  22           1HE      LYS  22  -5.405  16.693   5.355
  216    HZ1  LYS  22           3HZ      LYS  22  -3.950  16.469   2.782
  217    HZ2  LYS  22           1HZ      LYS  22  -4.435  17.952   3.448
  218    HZ3  LYS  22           2HZ      LYS  22  -5.602  16.797   3.015
  219    H    GLY  23           H        GLY  23   0.208  16.130   2.733
  220    HA2  GLY  23           2HA      GLY  23   1.665  17.762   1.859
  221    HA3  GLY  23           1HA      GLY  23   1.424  18.543   3.423
  222    H    GLY  24           H        GLY  24   2.732  15.452   3.789
  223    HA2  GLY  24           2HA      GLY  24   5.264  16.540   4.725
  224    HA3  GLY  24           1HA      GLY  24   4.820  14.834   4.696
  225    HA   PRO  25           HA       PRO  25   7.729  16.048   1.105
  226    HB2  PRO  25           2HB      PRO  25  10.078  15.106   2.113
  227    HB3  PRO  25           1HB      PRO  25   9.522  16.771   2.374
  228    HG2  PRO  25           2HG      PRO  25   9.357  14.415   4.194
  229    HG3  PRO  25           1HG      PRO  25   9.783  16.094   4.559
  230    HD2  PRO  25           2HD      PRO  25   7.306  15.078   5.065
  231    HD3  PRO  25           1HD      PRO  25   7.569  16.785   4.644
  232    H    HIS  26           H        HIS  26   9.232  14.356  -0.049
  233    HA   HIS  26           HA       HIS  26   7.915  11.703   0.246
  234    HB2  HIS  26           2HB      HIS  26   9.489  12.927  -2.041
  235    HB3  HIS  26           1HB      HIS  26   8.867  11.277  -2.043
  236    HD1  HIS  26           1HD      HIS  26   6.280  10.967  -2.174
  237    HD2  HIS  26           2HD      HIS  26   7.520  14.942  -2.406
  238    HE1  HIS  26           1HE      HIS  26   4.276  12.298  -2.968
  239    HE2  HIS  26           2HE      HIS  26   5.018  14.719  -3.107
  240    H    LYS  27           H        LYS  27   9.091   9.948   0.884
  241    HA   LYS  27           HA       LYS  27  12.068  10.200   0.937
  242    HB2  LYS  27           2HB      LYS  27  11.100  10.607   3.211
  243    HB3  LYS  27           1HB      LYS  27  10.371   9.002   3.146
  244    HG2  LYS  27           2HG      LYS  27  12.628   8.008   2.848
  245    HG3  LYS  27           1HG      LYS  27  13.337   9.617   2.991
  246    HD2  LYS  27           2HD      LYS  27  12.267   9.829   5.249
  247    HD3  LYS  27           1HD      LYS  27  11.736   8.153   5.107
  248    HE2  LYS  27           2HE      LYS  27  13.800   8.157   6.358
  249    HE3  LYS  27           1HE      LYS  27  14.150   7.505   4.757
  250    HZ1  LYS  27           3HZ      LYS  27  14.542  10.342   5.535
  251    HZ2  LYS  27           1HZ      LYS  27  14.991   9.622   4.068
  252    HZ3  LYS  27           2HZ      LYS  27  15.776   9.175   5.507
  253    H    VAL  28           H        VAL  28  13.065   8.427   0.069
  254    HA   VAL  28           HA       VAL  28  13.270   6.335  -0.980
  255    HB   VAL  28           HB       VAL  28  11.358   5.619   1.263
  256   HG11  VAL  28          1HG1      VAL  28  11.236   3.900  -0.434
  257   HG12  VAL  28          2HG1      VAL  28  12.260   3.295   0.867
  258   HG13  VAL  28          3HG1      VAL  28  12.988   3.894  -0.622
  259   HG21  VAL  28          3HG2      VAL  28  13.201   5.362   2.600
  260   HG22  VAL  28          1HG2      VAL  28  13.904   6.534   1.484
  261   HG23  VAL  28          2HG2      VAL  28  14.216   4.812   1.266
  262    H    GLY  29           H        GLY  29   9.938   5.769   0.059
  263    HA2  GLY  29           2HA      GLY  29   9.177   5.606  -2.818
  264    HA3  GLY  29           1HA      GLY  29   8.312   4.823  -1.495
  265    HA   PRO  30           HA       PRO  30   6.560   9.136  -2.718
  266    HB2  PRO  30           2HB      PRO  30   4.203   8.152  -3.796
  267    HB3  PRO  30           1HB      PRO  30   5.633   8.606  -4.742
  268    HG2  PRO  30           2HG      PRO  30   4.717   5.915  -3.873
  269    HG3  PRO  30           1HG      PRO  30   5.471   6.420  -5.395
  270    HD2  PRO  30           2HD      PRO  30   6.873   5.131  -3.461
  271    HD3  PRO  30           1HD      PRO  30   7.622   6.353  -4.514
  272    H    ASN  31           H        ASN  31   4.814  10.138  -1.536
  273    HA   ASN  31           HA       ASN  31   3.994   8.627   0.847
  274    HB2  ASN  31           2HB      ASN  31   3.231  11.448   0.040
  275    HB3  ASN  31           1HB      ASN  31   3.138  10.743   1.653
  276   HD21  ASN  31          1HD2      ASN  31   5.686   9.401   1.696
  277   HD22  ASN  31          2HD2      ASN  31   6.902  10.584   1.681
  278    H    LEU  32           H        LEU  32   1.906   7.893   1.256
  279    HA   LEU  32           HA       LEU  32   0.013   8.036  -1.036
  280    HB2  LEU  32           2HB      LEU  32   0.065   6.243   1.410
  281    HB3  LEU  32           1HB      LEU  32  -1.169   6.183   0.152
  282    HG   LEU  32           HG       LEU  32   0.622   5.743  -1.530
  283   HD11  LEU  32          1HD1      LEU  32   2.290   6.070   0.925
  284   HD12  LEU  32          2HD1      LEU  32   2.641   6.526  -0.741
  285   HD13  LEU  32          3HD1      LEU  32   2.788   4.843  -0.239
  286   HD21  LEU  32          3HD2      LEU  32   0.304   3.892   0.841
  287   HD22  LEU  32          1HD2      LEU  32   1.197   3.417  -0.604
  288   HD23  LEU  32          2HD2      LEU  32  -0.519   3.814  -0.717
  289    H    HIS  33           H        HIS  33  -2.000   8.981  -0.826
  290    HA   HIS  33           HA       HIS  33  -3.179   9.617   1.745
  291    HB2  HIS  33           2HB      HIS  33  -1.433  11.382   1.633
  292    HB3  HIS  33           1HB      HIS  33  -2.096  11.920   0.090
  293    HD1  HIS  33           1HD      HIS  33  -4.304  13.242   0.127
  294    HD2  HIS  33           2HD      HIS  33  -3.093  11.962   3.909
  295    HE1  HIS  33           1HE      HIS  33  -5.786  14.439   1.800
  296    HE2  HIS  33           2HE      HIS  33  -5.056  13.666   4.103
  297    H    GLY  34           H        GLY  34  -5.048   8.677   0.866
  298    HA2  GLY  34           2HA      GLY  34  -7.197   9.006  -0.118
  299    HA3  GLY  34           1HA      GLY  34  -6.555  10.402  -0.988
  300    H    ILE  35           H        ILE  35  -4.426   7.831  -1.241
  301    HA   ILE  35           HA       ILE  35  -4.718   7.551  -4.049
  302    HB   ILE  35           HB       ILE  35  -2.728   6.872  -2.573
  303   HG12  ILE  35          2HG1      ILE  35  -3.615   4.747  -4.539
  304   HG13  ILE  35          1HG1      ILE  35  -3.071   6.343  -5.057
  305   HG21  ILE  35          1HG2      ILE  35  -4.252   4.262  -2.406
  306   HG22  ILE  35          2HG2      ILE  35  -4.228   5.435  -1.088
  307   HG23  ILE  35          3HG2      ILE  35  -2.727   4.677  -1.622
  308   HD11  ILE  35          3HD1      ILE  35  -0.915   6.007  -3.970
  309   HD12  ILE  35          1HD1      ILE  35  -1.232   4.657  -5.060
  310   HD13  ILE  35          2HD1      ILE  35  -1.453   4.458  -3.320
  311    H    PHE  36           H        PHE  36  -6.490   6.110  -1.441
  312    HA   PHE  36           HA       PHE  36  -7.418   3.750  -2.763
  313    HB2  PHE  36           2HB      PHE  36  -8.627   5.479  -0.591
  314    HB3  PHE  36           1HB      PHE  36  -9.352   3.968  -1.131
  315    HD1  PHE  36           2HD      PHE  36  -6.409   5.487   0.528
  316    HD2  PHE  36           1HD      PHE  36  -8.363   1.831  -0.607
  317    HE1  PHE  36           2HE      PHE  36  -4.875   4.205   1.997
  318    HE2  PHE  36           1HE      PHE  36  -6.826   0.553   0.862
  319    HZ   PHE  36           HZ       PHE  36  -5.084   1.740   2.160
  320    H    GLY  37           H        GLY  37  -8.969   3.491  -4.318
  321    HA2  GLY  37           2HA      GLY  37 -10.725   4.018  -5.792
  322    HA3  GLY  37           1HA      GLY  37 -11.125   5.373  -4.735
  323    H    ARG  38           H        ARG  38  -7.863   5.153  -5.884
  324    HA   ARG  38           HA       ARG  38  -8.445   7.104  -8.048
  325    HB2  ARG  38           2HB      ARG  38  -6.401   7.500  -5.847
  326    HB3  ARG  38           1HB      ARG  38  -6.576   8.536  -7.265
  327    HG2  ARG  38           2HG      ARG  38  -8.980   8.913  -6.586
  328    HG3  ARG  38           1HG      ARG  38  -8.620   8.068  -5.080
  329    HD2  ARG  38           2HD      ARG  38  -8.334  10.392  -4.602
  330    HD3  ARG  38           1HD      ARG  38  -6.709   9.726  -4.759
  331    HE   ARG  38           HE       ARG  38  -6.443  10.938  -6.796
  332   HH11  ARG  38          1HH2      ARG  38  -9.658  11.040  -5.547
  333   HH12  ARG  38          2HH2      ARG  38 -10.171  12.304  -6.612
  334   HH21  ARG  38          1HH1      ARG  38  -7.098  12.587  -8.192
  335   HH22  ARG  38          2HH1      ARG  38  -8.723  13.178  -8.110
  336    H    HIS  39           H        HIS  39  -6.445   7.456  -9.432
  337    HA   HIS  39           HA       HIS  39  -5.156   4.828  -9.867
  338    HB2  HIS  39           2HB      HIS  39  -5.239   7.340 -11.562
  339    HB3  HIS  39           1HB      HIS  39  -4.439   5.840 -12.034
  340    HD1  HIS  39           1HD      HIS  39  -7.844   7.336 -11.476
  341    HD2  HIS  39           2HD      HIS  39  -6.196   3.734 -12.784
  342    HE1  HIS  39           1HE      HIS  39  -9.754   5.987 -12.457
  343    HE2  HIS  39           2HE      HIS  39  -8.760   3.793 -13.256
  344    H    SER  40           H        SER  40  -2.828   4.709 -10.236
  345    HA   SER  40           HA       SER  40  -1.302   6.146  -8.274
  346    HB2  SER  40           2HB      SER  40   0.590   4.937  -9.106
  347    HB3  SER  40           1HB      SER  40  -0.785   3.846  -9.244
  348    HG   SER  40           HG       SER  40  -0.430   5.482 -11.415
  349    H    GLY  41           H        GLY  41   0.652   7.482  -8.832
  350    HA2  GLY  41           2HA      GLY  41   1.790   9.062 -10.239
  351    HA3  GLY  41           1HA      GLY  41   0.464   8.947 -11.393
  352    H    GLN  42           H        GLN  42  -0.946   9.193  -8.425
  353    HA   GLN  42           HA       GLN  42  -1.999  11.797  -8.867
  354    HB2  GLN  42           2HB      GLN  42  -3.010  10.049  -7.375
  355    HB3  GLN  42           1HB      GLN  42  -1.739  10.385  -6.199
  356    HG2  GLN  42           2HG      GLN  42  -2.456  12.788  -6.191
  357    HG3  GLN  42           1HG      GLN  42  -3.808  12.343  -7.234
  358   HE21  GLN  42          1HE2      GLN  42  -5.684  11.666  -6.183
  359   HE22  GLN  42          2HE2      GLN  42  -5.764  11.190  -4.556
  360    H    ALA  43           H        ALA  43   0.820  10.714  -7.020
  361    HA   ALA  43           HA       ALA  43   1.358  13.110  -5.612
  362    HB1  ALA  43           1HB      ALA  43   3.696  12.329  -5.529
  363    HB2  ALA  43           2HB      ALA  43   3.347  11.149  -6.793
  364    HB3  ALA  43           3HB      ALA  43   2.579  11.001  -5.213
  365    H    GLU  44           H        GLU  44   2.041  12.219  -8.961
  366    HA   GLU  44           HA       GLU  44   3.056  13.470 -10.690
  367    HB2  GLU  44           2HB      GLU  44   1.427  15.601  -9.267
  368    HB3  GLU  44           1HB      GLU  44   2.070  15.742 -10.904
  369    HG2  GLU  44           2HG      GLU  44   0.776  13.724 -11.563
  370    HG3  GLU  44           1HG      GLU  44   0.088  13.658  -9.939
  371    H    GLY  45           H        GLY  45   4.332  13.486  -7.852
  372    HA2  GLY  45           2HA      GLY  45   6.190  15.764  -8.411
  373    HA3  GLY  45           1HA      GLY  45   5.671  15.386  -6.767
  374    H    TYR  46           H        TYR  46   5.736  12.521  -7.078
  375    HA   TYR  46           HA       TYR  46   8.694  12.140  -7.079
  376    HB2  TYR  46           2HB      TYR  46   7.401  11.555  -5.000
  377    HB3  TYR  46           1HB      TYR  46   6.546  10.328  -5.934
  378    HD1  TYR  46           1HD      TYR  46   9.897  11.393  -4.731
  379    HD2  TYR  46           2HD      TYR  46   7.562   8.230  -6.462
  380    HE1  TYR  46           1HE      TYR  46  11.771   9.810  -4.367
  381    HE2  TYR  46           2HE      TYR  46   9.439   6.647  -6.101
  382    HH   TYR  46           HH       TYR  46  12.368   7.638  -4.369
  383    H    SER  47           H        SER  47   9.613  10.742  -8.562
  384    HA   SER  47           HA       SER  47   8.090   9.945 -10.857
  385    HB2  SER  47           2HB      SER  47  10.113   8.956 -11.653
  386    HB3  SER  47           1HB      SER  47  10.603  10.374 -10.733
  387    HG   SER  47           HG       SER  47  11.457   9.120  -9.251
  388    H    TYR  48           H        TYR  48   7.658   7.752 -11.579
  389    HA   TYR  48           HA       TYR  48   7.340   5.804  -9.329
  390    HB2  TYR  48           2HB      TYR  48   5.493   6.422 -11.645
  391    HB3  TYR  48           1HB      TYR  48   5.348   4.954 -10.679
  392    HD1  TYR  48           2HD      TYR  48   4.743   5.060  -8.301
  393    HD2  TYR  48           1HD      TYR  48   4.927   8.603 -10.721
  394    HE1  TYR  48           2HE      TYR  48   3.484   6.307  -6.569
  395    HE2  TYR  48           1HE      TYR  48   3.665   9.850  -8.988
  396    HH   TYR  48           HH       TYR  48   2.197   8.230  -6.265
  397    H    THR  49           H        THR  49   7.693   3.589  -9.869
  398    HA   THR  49           HA       THR  49   9.781   3.044 -11.688
  399    HB   THR  49           HB       THR  49   9.160   1.502  -9.870
  400    HG1  THR  49           1HG      THR  49  10.225   0.383 -11.348
  401   HG21  THR  49          3HG2      THR  49   7.006   0.078 -11.042
  402   HG22  THR  49          1HG2      THR  49   6.566   1.784 -11.073
  403   HG23  THR  49          2HG2      THR  49   6.992   1.013  -9.547
  404    H    ASP  50           H        ASP  50   9.769   2.100 -13.797
  405    HA   ASP  50           HA       ASP  50   7.879   3.117 -15.627
  406    HB2  ASP  50           2HB      ASP  50   9.718   0.732 -15.853
  407    HB3  ASP  50           1HB      ASP  50   8.810   1.397 -17.210
  408    H    ALA  51           H        ALA  51   7.911   0.040 -13.879
  409    HA   ALA  51           HA       ALA  51   5.849  -1.266 -15.337
  410    HB1  ALA  51           1HB      ALA  51   5.771  -1.755 -12.447
  411    HB2  ALA  51           2HB      ALA  51   7.394  -1.870 -13.125
  412    HB3  ALA  51           3HB      ALA  51   6.096  -2.877 -13.768
  413    H    ASN  52           H        ASN  52   5.521   0.546 -12.241
  414    HA   ASN  52           HA       ASN  52   2.683   0.501 -12.200
  415    HB2  ASN  52           2HB      ASN  52   4.089   1.232 -10.281
  416    HB3  ASN  52           1HB      ASN  52   4.489   2.706 -11.165
  417   HD21  ASN  52          1HD2      ASN  52   1.676   0.913  -9.794
  418   HD22  ASN  52          2HD2      ASN  52   0.710   2.297  -9.598
  419    H    ILE  53           H        ILE  53   4.904   2.870 -13.681
  420    HA   ILE  53           HA       ILE  53   2.894   4.683 -14.555
  421    HB   ILE  53           HB       ILE  53   5.587   4.033 -15.787
  422   HG12  ILE  53          2HG1      ILE  53   4.770   6.236 -13.866
  423   HG13  ILE  53          1HG1      ILE  53   5.615   4.765 -13.387
  424   HG21  ILE  53          1HG2      ILE  53   4.966   5.454 -17.410
  425   HG22  ILE  53          2HG2      ILE  53   4.862   6.722 -16.190
  426   HG23  ILE  53          3HG2      ILE  53   3.434   5.775 -16.601
  427   HD11  ILE  53          3HD1      ILE  53   7.517   5.327 -14.771
  428   HD12  ILE  53          1HD1      ILE  53   7.137   6.734 -13.779
  429   HD13  ILE  53          2HD1      ILE  53   6.657   6.698 -15.475
  430    H    LYS  54           H        LYS  54   4.564   2.098 -16.403
  431    HA   LYS  54           HA       LYS  54   2.812   2.343 -18.676
  432    HB2  LYS  54           2HB      LYS  54   5.092   1.313 -18.753
  433    HB3  LYS  54           1HB      LYS  54   4.461  -0.058 -17.838
  434    HG2  LYS  54           2HG      LYS  54   2.784  -0.455 -19.629
  435    HG3  LYS  54           1HG      LYS  54   3.486   0.874 -20.554
  436    HD2  LYS  54           2HD      LYS  54   5.685  -0.327 -20.508
  437    HD3  LYS  54           1HD      LYS  54   4.878  -1.690 -19.731
  438    HE2  LYS  54           2HE      LYS  54   3.848  -0.557 -22.329
  439    HE3  LYS  54           1HE      LYS  54   5.144  -1.755 -22.311
  440    HZ1  LYS  54           3HZ      LYS  54   2.509  -2.324 -22.261
  441    HZ2  LYS  54           1HZ      LYS  54   2.909  -2.413 -20.615
  442    HZ3  LYS  54           2HZ      LYS  54   3.739  -3.375 -21.742
  443    H    LYS  55           H        LYS  55   2.996  -0.171 -16.125
  444    HA   LYS  55           HA       LYS  55   0.585  -1.491 -16.949
  445    HB2  LYS  55           2HB      LYS  55   2.339  -2.516 -15.491
  446    HB3  LYS  55           1HB      LYS  55   1.839  -1.440 -14.187
  447    HG2  LYS  55           2HG      LYS  55  -0.437  -2.394 -14.266
  448    HG3  LYS  55           1HG      LYS  55   0.061  -3.475 -15.569
  449    HD2  LYS  55           2HD      LYS  55   1.823  -4.400 -14.031
  450    HD3  LYS  55           1HD      LYS  55   1.125  -3.431 -12.733
  451    HE2  LYS  55           2HE      LYS  55  -0.996  -4.840 -14.041
  452    HE3  LYS  55           1HE      LYS  55   0.280  -5.993 -13.650
  453    HZ1  LYS  55           3HZ      LYS  55  -0.158  -5.827 -11.493
  454    HZ2  LYS  55           1HZ      LYS  55  -1.588  -5.024 -11.922
  455    HZ3  LYS  55           2HZ      LYS  55  -0.196  -4.130 -11.536
  456    H    ASN  56           H        ASN  56   1.197   0.773 -14.253
  457    HA   ASN  56           HA       ASN  56  -0.276   2.069 -12.990
  458    HB2  ASN  56           2HB      ASN  56  -0.495   2.856 -15.575
  459    HB3  ASN  56           1HB      ASN  56  -2.168   2.399 -15.247
  460   HD21  ASN  56          1HD2      ASN  56  -1.542   3.086 -12.255
  461   HD22  ASN  56          2HD2      ASN  56  -1.690   4.775 -12.198
  462    H    VAL  57           H        VAL  57  -1.589   1.269 -11.474
  463    HA   VAL  57           HA       VAL  57  -3.877  -0.457 -12.337
  464    HB   VAL  57           HB       VAL  57  -2.108  -1.807 -11.293
  465   HG11  VAL  57          1HG1      VAL  57  -1.127  -1.281  -9.250
  466   HG12  VAL  57          2HG1      VAL  57  -2.517  -0.334  -8.711
  467   HG13  VAL  57          3HG1      VAL  57  -1.404   0.333  -9.903
  468   HG21  VAL  57          3HG2      VAL  57  -3.536  -2.992  -9.882
  469   HG22  VAL  57          1HG2      VAL  57  -4.698  -2.011 -10.775
  470   HG23  VAL  57          2HG2      VAL  57  -4.198  -1.526  -9.155
  471    H    LEU  58           H        LEU  58  -5.813  -0.190 -11.166
  472    HA   LEU  58           HA       LEU  58  -6.175   2.421  -9.926
  473    HB2  LEU  58           2HB      LEU  58  -7.968   1.396 -11.279
  474    HB3  LEU  58           1HB      LEU  58  -8.063   0.051 -10.143
  475    HG   LEU  58           HG       LEU  58  -8.647   1.672  -8.332
  476   HD11  LEU  58          1HD1      LEU  58  -9.552   3.903  -9.642
  477   HD12  LEU  58          2HD1      LEU  58  -8.067   3.553 -10.525
  478   HD13  LEU  58          3HD1      LEU  58  -8.017   3.804  -8.781
  479   HD21  LEU  58          3HD2      LEU  58 -10.729   1.052  -8.910
  480   HD22  LEU  58          1HD2      LEU  58 -10.248   0.883 -10.599
  481   HD23  LEU  58          2HD2      LEU  58 -10.799   2.444  -9.991
  482    H    TRP  59           H        TRP  59  -6.188   2.867  -7.752
  483    HA   TRP  59           HA       TRP  59  -5.588   0.595  -5.938
  484    HB2  TRP  59           2HB      TRP  59  -5.245   3.588  -5.644
  485    HB3  TRP  59           1HB      TRP  59  -4.934   2.438  -4.339
  486    HD1  TRP  59           HD       TRP  59  -3.438   3.848  -7.472
  487    HE1  TRP  59           1HE      TRP  59  -1.160   2.725  -7.936
  488    HE3  TRP  59           3HE      TRP  59  -3.602   0.078  -4.044
  489    HZ2  TRP  59           2HZ      TRP  59   0.383   0.511  -6.976
  490    HZ3  TRP  59           3HZ      TRP  59  -1.722  -1.512  -3.831
  491    HH2  TRP  59           HH       TRP  59   0.271  -1.304  -5.292
  492    H    ASP  60           H        ASP  60  -7.060  -0.112  -4.544
  493    HA   ASP  60           HA       ASP  60  -9.123   1.610  -3.397
  494    HB2  ASP  60           2HB      ASP  60 -10.022   0.873  -5.670
  495    HB3  ASP  60           1HB      ASP  60 -10.008  -0.776  -5.043
  496    H    GLU  61           H        GLU  61 -10.572   0.104  -1.919
  497    HA   GLU  61           HA       GLU  61  -8.880  -1.262  -0.114
  498    HB2  GLU  61           2HB      GLU  61 -11.852  -1.631  -0.593
  499    HB3  GLU  61           1HB      GLU  61 -10.979  -2.245   0.812
  500    HG2  GLU  61           2HG      GLU  61 -10.283   0.076   1.366
  501    HG3  GLU  61           1HG      GLU  61 -11.231   0.667   0.001
  502    H    ASN  62           H        ASN  62 -10.784  -2.531  -2.841
  503    HA   ASN  62           HA       ASN  62 -10.084  -5.294  -2.285
  504    HB2  ASN  62           2HB      ASN  62 -11.364  -5.814  -4.141
  505    HB3  ASN  62           1HB      ASN  62 -12.052  -4.247  -3.723
  506   HD21  ASN  62          1HD2      ASN  62 -10.993  -5.944  -6.350
  507   HD22  ASN  62          2HD2      ASN  62 -10.464  -4.664  -7.328
  508    H    ASN  63           H        ASN  63  -8.973  -2.880  -4.671
  509    HA   ASN  63           HA       ASN  63  -7.007  -4.530  -5.899
  510    HB2  ASN  63           2HB      ASN  63  -7.825  -2.312  -6.764
  511    HB3  ASN  63           1HB      ASN  63  -6.850  -1.533  -5.518
  512   HD21  ASN  63          1HD2      ASN  63  -4.752  -1.029  -6.133
  513   HD22  ASN  63          2HD2      ASN  63  -3.906  -1.764  -7.405
  514    H    MET  64           H        MET  64  -6.843  -2.443  -3.037
  515    HA   MET  64           HA       MET  64  -4.034  -2.563  -2.638
  516    HB2  MET  64           2HB      MET  64  -6.300  -2.350  -0.639
  517    HB3  MET  64           1HB      MET  64  -4.598  -2.163  -0.212
  518    HG2  MET  64           2HG      MET  64  -5.182  -0.551  -2.523
  519    HG3  MET  64           1HG      MET  64  -6.339  -0.183  -1.243
  520    HE1  MET  64           3HE      MET  64  -3.586   2.052  -2.178
  521    HE2  MET  64           1HE      MET  64  -4.334   2.720  -0.719
  522    HE3  MET  64           2HE      MET  64  -5.322   1.898  -1.925
  523    H    SER  65           H        SER  65  -6.609  -4.800  -1.615
  524    HA   SER  65           HA       SER  65  -4.947  -6.479  -0.017
  525    HB2  SER  65           2HB      SER  65  -6.677  -8.188  -0.318
  526    HB3  SER  65           1HB      SER  65  -7.422  -6.619  -0.036
  527    HG   SER  65           HG       SER  65  -8.167  -6.620  -2.020
  528    H    GLU  66           H        GLU  66  -5.559  -6.428  -3.506
  529    HA   GLU  66           HA       GLU  66  -4.182  -8.895  -4.068
  530    HB2  GLU  66           2HB      GLU  66  -4.767  -6.485  -5.810
  531    HB3  GLU  66           1HB      GLU  66  -4.136  -8.017  -6.407
  532    HG2  GLU  66           2HG      GLU  66  -6.130  -9.178  -5.485
  533    HG3  GLU  66           1HG      GLU  66  -6.773  -7.618  -4.968
  534    H    HIS  67           H        HIS  67  -3.157  -5.510  -3.874
  535    HA   HIS  67           HA       HIS  67  -0.554  -5.823  -4.981
  536    HB2  HIS  67           2HB      HIS  67  -1.655  -3.646  -4.506
  537    HB3  HIS  67           1HB      HIS  67  -1.418  -3.925  -2.782
  538    HD1  HIS  67           1HD      HIS  67   0.802  -4.021  -5.890
  539    HD2  HIS  67           2HD      HIS  67   0.920  -2.708  -1.941
  540    HE1  HIS  67           1HE      HIS  67   3.059  -2.924  -5.574
  541    HE2  HIS  67           2HE      HIS  67   3.147  -2.129  -3.167
  542    H    LEU  68           H        LEU  68  -1.637  -6.020  -1.594
  543    HA   LEU  68           HA       LEU  68   0.985  -6.682  -0.575
  544    HB2  LEU  68           2HB      LEU  68  -1.813  -6.854   0.536
  545    HB3  LEU  68           1HB      LEU  68  -0.425  -7.444   1.445
  546    HG   LEU  68           HG       LEU  68   0.577  -5.284   1.530
  547   HD11  LEU  68          1HD1      LEU  68  -0.493  -3.341   0.305
  548   HD12  LEU  68          2HD1      LEU  68  -1.479  -4.519  -0.556
  549   HD13  LEU  68          3HD1      LEU  68   0.273  -4.537  -0.739
  550   HD21  LEU  68          3HD2      LEU  68  -2.421  -5.167   1.924
  551   HD22  LEU  68          1HD2      LEU  68  -1.369  -3.818   2.349
  552   HD23  LEU  68          2HD2      LEU  68  -1.170  -5.378   3.149
  553    H    THR  69           H        THR  69  -1.802  -8.602  -1.631
  554    HA   THR  69           HA       THR  69  -0.930 -11.119  -0.641
  555    HB   THR  69           HB       THR  69  -2.456 -10.652  -3.212
  556    HG1  THR  69           1HG      THR  69  -3.984  -9.928  -1.997
  557   HG21  THR  69          3HG2      THR  69  -2.127 -12.956  -1.296
  558   HG22  THR  69          1HG2      THR  69  -1.923 -12.945  -3.048
  559   HG23  THR  69          2HG2      THR  69  -3.538 -12.838  -2.347
  560    H    ASN  70           H        ASN  70  -0.168  -9.461  -3.688
  561    HA   ASN  70           HA       ASN  70   2.206 -11.188  -3.982
  562    HB2  ASN  70           2HB      ASN  70   1.519 -11.589  -6.434
  563    HB3  ASN  70           1HB      ASN  70   0.708 -12.554  -5.200
  564   HD21  ASN  70          1HD2      ASN  70   0.213 -10.203  -7.710
  565   HD22  ASN  70          2HD2      ASN  70  -1.451  -9.983  -7.464
  566    HA   PRO  71           HA       PRO  71   2.501  -6.657  -5.293
  567    HB2  PRO  71           2HB      PRO  71   4.903  -6.252  -3.968
  568    HB3  PRO  71           1HB      PRO  71   3.301  -5.879  -3.304
  569    HG2  PRO  71           2HG      PRO  71   5.056  -8.222  -2.817
  570    HG3  PRO  71           1HG      PRO  71   3.990  -7.354  -1.700
  571    HD2  PRO  71           2HD      PRO  71   3.322  -9.755  -2.766
  572    HD3  PRO  71           1HD      PRO  71   2.106  -8.527  -2.375
  573    H    ALA  72           H        ALA  72   4.486  -9.474  -5.550
  574    HA   ALA  72           HA       ALA  72   6.614  -8.325  -7.130
  575    HB1  ALA  72           1HB      ALA  72   7.074 -10.707  -7.755
  576    HB2  ALA  72           2HB      ALA  72   5.604 -11.173  -6.900
  577    HB3  ALA  72           3HB      ALA  72   6.950 -10.455  -6.015
  578    H    LYS  73           H        LYS  73   4.400 -10.817  -8.379
  579    HA   LYS  73           HA       LYS  73   4.638 -10.007 -11.084
  580    HB2  LYS  73           2HB      LYS  73   2.357 -11.453  -9.702
  581    HB3  LYS  73           1HB      LYS  73   2.561 -11.343 -11.451
  582    HG2  LYS  73           2HG      LYS  73   4.803 -12.419 -11.217
  583    HG3  LYS  73           1HG      LYS  73   4.493 -12.621  -9.493
  584    HD2  LYS  73           2HD      LYS  73   2.437 -13.926 -10.060
  585    HD3  LYS  73           1HD      LYS  73   2.877 -13.812 -11.765
  586    HE2  LYS  73           2HE      LYS  73   4.986 -14.980 -11.326
  587    HE3  LYS  73           1HE      LYS  73   4.611 -15.047  -9.604
  588    HZ1  LYS  73           3HZ      LYS  73   2.523 -16.079 -11.297
  589    HZ2  LYS  73           1HZ      LYS  73   3.214 -16.743  -9.898
  590    HZ3  LYS  73           2HZ      LYS  73   3.976 -16.953 -11.401
  591    H    TYR  74           H        TYR  74   2.456  -8.917  -8.551
  592    HA   TYR  74           HA       TYR  74   0.528  -7.555 -10.104
  593    HB2  TYR  74           2HB      TYR  74   0.325  -7.876  -7.689
  594    HB3  TYR  74           1HB      TYR  74   1.716  -6.833  -7.416
  595    HD1  TYR  74           1HD      TYR  74  -1.812  -6.918  -8.566
  596    HD2  TYR  74           2HD      TYR  74   1.543  -4.451  -7.518
  597    HE1  TYR  74           1HE      TYR  74  -3.295  -4.931  -8.480
  598    HE2  TYR  74           2HE      TYR  74   0.065  -2.472  -7.433
  599    HH   TYR  74           HH       TYR  74  -2.019  -1.749  -7.499
  600    H    ILE  75           H        ILE  75   3.606  -6.280  -8.769
  601    HA   ILE  75           HA       ILE  75   3.649  -4.337 -11.015
  602    HB   ILE  75           HB       ILE  75   3.683  -3.672  -8.074
  603   HG12  ILE  75          2HG1      ILE  75   1.652  -3.512  -9.713
  604   HG13  ILE  75          1HG1      ILE  75   1.974  -2.168  -8.626
  605   HG21  ILE  75          1HG2      ILE  75   4.391  -1.304  -9.120
  606   HG22  ILE  75          2HG2      ILE  75   5.226  -2.357 -10.262
  607   HG23  ILE  75          3HG2      ILE  75   5.580  -2.460  -8.539
  608   HD11  ILE  75          3HD1      ILE  75   3.296  -2.130 -11.308
  609   HD12  ILE  75          1HD1      ILE  75   2.718  -0.790 -10.319
  610   HD13  ILE  75          2HD1      ILE  75   1.572  -1.771 -11.230
  611    HA   PRO  76           HA       PRO  76   7.769  -6.234 -10.245
  612    HB2  PRO  76           2HB      PRO  76   8.162  -7.240 -12.722
  613    HB3  PRO  76           1HB      PRO  76   7.179  -8.082 -11.509
  614    HG2  PRO  76           2HG      PRO  76   6.331  -6.533 -13.883
  615    HG3  PRO  76           1HG      PRO  76   5.575  -7.937 -13.116
  616    HD2  PRO  76           2HD      PRO  76   4.785  -5.245 -12.790
  617    HD3  PRO  76           1HD      PRO  76   4.263  -6.619 -11.792
  618    H    GLY  77           H        GLY  77   9.824  -5.388 -10.868
  619    HA2  GLY  77           2HA      GLY  77  11.294  -4.119 -12.301
  620    HA3  GLY  77           1HA      GLY  77   9.879  -3.424 -13.085
  621    H    THR  78           H        THR  78   9.403  -3.394  -9.756
  622    HA   THR  78           HA       THR  78  10.213  -0.523  -9.667
  623    HB   THR  78           HB       THR  78   7.800  -1.098  -9.255
  624    HG1  THR  78           1HG      THR  78   9.365   0.537  -7.999
  625   HG21  THR  78          3HG2      THR  78   7.235  -2.084  -7.046
  626   HG22  THR  78          1HG2      THR  78   8.939  -2.423  -6.774
  627   HG23  THR  78          2HG2      THR  78   8.083  -3.225  -8.088
  628    H    LYS  79           H        LYS  79  11.034   0.252  -7.522
  629    HA   LYS  79           HA       LYS  79  13.133  -1.554  -6.567
  630    HB2  LYS  79           2HB      LYS  79  12.340   1.220  -5.624
  631    HB3  LYS  79           1HB      LYS  79  13.826   0.374  -5.200
  632    HG2  LYS  79           2HG      LYS  79  14.419   0.281  -7.624
  633    HG3  LYS  79           1HG      LYS  79  12.985   1.243  -7.980
  634    HD2  LYS  79           2HD      LYS  79  15.233   2.113  -6.139
  635    HD3  LYS  79           1HD      LYS  79  15.038   2.644  -7.810
  636    HE2  LYS  79           2HE      LYS  79  13.846   4.350  -6.881
  637    HE3  LYS  79           1HE      LYS  79  12.549   3.159  -6.812
  638    HZ1  LYS  79           3HZ      LYS  79  12.639   3.139  -4.611
  639    HZ2  LYS  79           1HZ      LYS  79  13.693   4.465  -4.685
  640    HZ3  LYS  79           2HZ      LYS  79  14.319   2.888  -4.605
  641    H    MET  80           H        MET  80   9.924  -1.304  -5.878
  642    HA   MET  80           HA       MET  80  10.099  -1.557  -2.957
  643    HB2  MET  80           2HB      MET  80   8.176  -0.421  -4.031
  644    HB3  MET  80           1HB      MET  80   7.739  -1.934  -4.824
  645    HG2  MET  80           2HG      MET  80   7.303  -3.004  -2.713
  646    HG3  MET  80           1HG      MET  80   7.980  -1.643  -1.820
  647    HE1  MET  80           3HE      MET  80   4.598  -3.190  -2.919
  648    HE2  MET  80           1HE      MET  80   3.956  -2.200  -1.601
  649    HE3  MET  80           2HE      MET  80   5.450  -3.108  -1.378
  650    H    ALA  81           H        ALA  81  10.283  -3.461  -1.885
  651    HA   ALA  81           HA       ALA  81   9.586  -5.980  -3.328
  652    HB1  ALA  81           1HB      ALA  81  12.155  -5.260  -1.942
  653    HB2  ALA  81           2HB      ALA  81  11.918  -6.075  -3.488
  654    HB3  ALA  81           3HB      ALA  81  11.616  -6.938  -1.980
  655    H    PHE  82           H        PHE  82   7.641  -5.935  -2.054
  656    HA   PHE  82           HA       PHE  82   8.021  -6.295   0.882
  657    HB2  PHE  82           2HB      PHE  82   6.403  -4.554   0.121
  658    HB3  PHE  82           1HB      PHE  82   5.466  -5.813  -0.683
  659    HD1  PHE  82           1HD      PHE  82   6.560  -4.473   2.583
  660    HD2  PHE  82           2HD      PHE  82   4.149  -7.408   0.579
  661    HE1  PHE  82           1HE      PHE  82   5.403  -4.981   4.717
  662    HE2  PHE  82           2HE      PHE  82   2.993  -7.916   2.713
  663    HZ   PHE  82           HZ       PHE  82   3.620  -6.703   4.782
  664    H    GLY  83           H        GLY  83   7.628  -8.285   1.793
  665    HA2  GLY  83           2HA      GLY  83   7.163 -10.558   0.036
  666    HA3  GLY  83           1HA      GLY  83   7.330 -10.629   1.792
  667    H    GLY  84           H        GLY  84   5.240 -11.677  -0.266
  668    HA2  GLY  84           2HA      GLY  84   2.770 -10.336   0.399
  669    HA3  GLY  84           1HA      GLY  84   2.899 -11.932  -0.340
  670    H    LEU  85           H        LEU  85   1.185 -10.962   1.949
  671    HA   LEU  85           HA       LEU  85   2.292 -12.539   4.206
  672    HB2  LEU  85           2HB      LEU  85  -0.276 -10.931   4.059
  673    HB3  LEU  85           1HB      LEU  85   0.467 -11.592   5.516
  674    HG   LEU  85           HG       LEU  85   1.652  -9.475   3.700
  675   HD11  LEU  85          1HD1      LEU  85   0.763  -7.966   5.119
  676   HD12  LEU  85          2HD1      LEU  85   1.394  -8.835   6.518
  677   HD13  LEU  85          3HD1      LEU  85  -0.168  -9.284   5.834
  678   HD21  LEU  85          3HD2      LEU  85   2.763 -11.098   5.972
  679   HD22  LEU  85          1HD2      LEU  85   3.315  -9.437   5.745
  680   HD23  LEU  85          2HD2      LEU  85   3.538 -10.624   4.459
  681    H    LYS  86           H        LYS  86   1.684 -14.614   4.502
  682    HA   LYS  86           HA       LYS  86  -0.138 -15.945   2.735
  683    HB2  LYS  86           2HB      LYS  86   0.951 -16.806   5.433
  684    HB3  LYS  86           1HB      LYS  86   0.122 -17.865   4.293
  685    HG2  LYS  86           2HG      LYS  86   1.868 -17.241   2.577
  686    HG3  LYS  86           1HG      LYS  86   2.745 -16.413   3.864
  687    HD2  LYS  86           2HD      LYS  86   1.957 -19.340   3.934
  688    HD3  LYS  86           1HD      LYS  86   3.557 -18.747   3.490
  689    HE2  LYS  86           2HE      LYS  86   3.873 -19.155   5.754
  690    HE3  LYS  86           1HE      LYS  86   3.374 -17.463   5.797
  691    HZ1  LYS  86           3HZ      LYS  86   1.014 -18.522   5.929
  692    HZ2  LYS  86           1HZ      LYS  86   1.965 -18.373   7.325
  693    HZ3  LYS  86           2HZ      LYS  86   1.861 -19.867   6.526
  694    H    LYS  87           H        LYS  87  -0.545 -14.543   5.968
  695    HA   LYS  87           HA       LYS  87  -3.258 -15.635   6.203
  696    HB2  LYS  87           2HB      LYS  87  -1.722 -13.665   7.915
  697    HB3  LYS  87           1HB      LYS  87  -3.331 -14.277   8.300
  698    HG2  LYS  87           2HG      LYS  87  -2.393 -16.609   8.196
  699    HG3  LYS  87           1HG      LYS  87  -0.788 -15.898   8.018
  700    HD2  LYS  87           2HD      LYS  87  -1.147 -14.657  10.155
  701    HD3  LYS  87           1HD      LYS  87  -2.681 -15.506  10.349
  702    HE2  LYS  87           2HE      LYS  87  -1.630 -17.311  11.185
  703    HE3  LYS  87           1HE      LYS  87  -0.586 -17.403   9.766
  704    HZ1  LYS  87           3HZ      LYS  87   0.699 -17.078  11.781
  705    HZ2  LYS  87           1HZ      LYS  87  -0.152 -15.650  12.123
  706    HZ3  LYS  87           2HZ      LYS  87   0.851 -15.733  10.753
  707    H    GLU  88           H        GLU  88  -5.051 -14.653   5.485
  708    HA   GLU  88           HA       GLU  88  -4.879 -12.090   4.107
  709    HB2  GLU  88           2HB      GLU  88  -6.350 -13.963   3.343
  710    HB3  GLU  88           1HB      GLU  88  -7.336 -13.730   4.788
  711    HG2  GLU  88           2HG      GLU  88  -7.730 -11.367   4.097
  712    HG3  GLU  88           1HG      GLU  88  -6.833 -11.680   2.612
  713    H    LYS  89           H        LYS  89  -6.181 -13.240   7.195
  714    HA   LYS  89           HA       LYS  89  -7.696 -10.958   7.905
  715    HB2  LYS  89           2HB      LYS  89  -6.081 -12.817   9.673
  716    HB3  LYS  89           1HB      LYS  89  -7.279 -11.666  10.263
  717    HG2  LYS  89           2HG      LYS  89  -8.993 -12.777   8.823
  718    HG3  LYS  89           1HG      LYS  89  -7.786 -13.981   8.371
  719    HD2  LYS  89           2HD      LYS  89  -7.507 -14.546  10.790
  720    HD3  LYS  89           1HD      LYS  89  -8.816 -13.426  11.168
  721    HE2  LYS  89           2HE      LYS  89  -9.970 -14.929   9.200
  722    HE3  LYS  89           1HE      LYS  89  -8.933 -16.126   9.978
  723    HZ1  LYS  89           3HZ      LYS  89 -10.104 -14.676  12.016
  724    HZ2  LYS  89           1HZ      LYS  89 -10.450 -16.274  11.566
  725    HZ3  LYS  89           2HZ      LYS  89 -11.354 -14.993  10.909
  726    H    ASP  90           H        ASP  90  -4.223 -11.613   8.480
  727    HA   ASP  90           HA       ASP  90  -3.700  -9.172   9.869
  728    HB2  ASP  90           2HB      ASP  90  -1.903 -10.910   8.152
  729    HB3  ASP  90           1HB      ASP  90  -1.328  -9.580   9.155
  730    H    ARG  91           H        ARG  91  -3.667 -10.016   6.433
  731    HA   ARG  91           HA       ARG  91  -2.586  -7.596   5.411
  732    HB2  ARG  91           2HB      ARG  91  -2.993  -9.704   4.110
  733    HB3  ARG  91           1HB      ARG  91  -4.717  -9.333   4.133
  734    HG2  ARG  91           2HG      ARG  91  -4.209  -7.146   3.026
  735    HG3  ARG  91           1HG      ARG  91  -2.523  -7.649   2.894
  736    HD2  ARG  91           2HD      ARG  91  -4.919  -9.050   1.677
  737    HD3  ARG  91           1HD      ARG  91  -3.669  -8.164   0.804
  738    HE   ARG  91           HE       ARG  91  -2.140 -10.004   2.019
  739   HH11  ARG  91          1HH2      ARG  91  -5.238 -10.281   0.511
  740   HH12  ARG  91          2HH2      ARG  91  -5.015 -11.939   0.070
  741   HH21  ARG  91          1HH1      ARG  91  -1.843 -12.164   1.443
  742   HH22  ARG  91          2HH1      ARG  91  -3.098 -13.004   0.595
  743    H    ASN  92           H        ASN  92  -5.934  -8.484   6.221
  744    HA   ASN  92           HA       ASN  92  -7.218  -6.177   5.187
  745    HB2  ASN  92           2HB      ASN  92  -8.363  -8.236   6.061
  746    HB3  ASN  92           1HB      ASN  92  -7.993  -7.688   7.695
  747   HD21  ASN  92          1HD2      ASN  92  -9.722  -6.681   4.712
  748   HD22  ASN  92          2HD2      ASN  92 -10.837  -5.684   5.512
  749    H    ASP  93           H        ASP  93  -5.742  -6.717   8.398
  750    HA   ASP  93           HA       ASP  93  -6.540  -4.227   9.519
  751    HB2  ASP  93           2HB      ASP  93  -4.136  -5.980  10.093
  752    HB3  ASP  93           1HB      ASP  93  -4.657  -4.630  11.098
  753    H    LEU  94           H        LEU  94  -3.651  -5.145   7.640
  754    HA   LEU  94           HA       LEU  94  -2.240  -2.700   7.960
  755    HB2  LEU  94           2HB      LEU  94  -1.275  -4.763   6.951
  756    HB3  LEU  94           1HB      LEU  94  -2.276  -4.506   5.523
  757    HG   LEU  94           HG       LEU  94  -1.187  -2.328   5.137
  758   HD11  LEU  94          1HD1      LEU  94   1.031  -2.125   6.607
  759   HD12  LEU  94          2HD1      LEU  94   0.048  -3.010   7.774
  760   HD13  LEU  94          3HD1      LEU  94  -0.501  -1.450   7.160
  761   HD21  LEU  94          3HD2      LEU  94   1.300  -3.691   5.327
  762   HD22  LEU  94          1HD2      LEU  94   0.262  -3.544   3.911
  763   HD23  LEU  94          2HD2      LEU  94   0.074  -4.914   5.003
  764    H    ILE  95           H        ILE  95  -4.687  -3.649   5.550
  765    HA   ILE  95           HA       ILE  95  -4.573  -1.206   4.053
  766    HB   ILE  95           HB       ILE  95  -6.903  -3.091   4.458
  767   HG12  ILE  95          2HG1      ILE  95  -4.841  -2.985   2.236
  768   HG13  ILE  95          1HG1      ILE  95  -4.814  -4.149   3.562
  769   HG21  ILE  95          1HG2      ILE  95  -7.010  -1.949   1.914
  770   HG22  ILE  95          2HG2      ILE  95  -6.564  -0.608   2.969
  771   HG23  ILE  95          3HG2      ILE  95  -8.036  -1.529   3.286
  772   HD11  ILE  95          3HD1      ILE  95  -6.914  -5.103   2.876
  773   HD12  ILE  95          1HD1      ILE  95  -5.901  -4.996   1.436
  774   HD13  ILE  95          2HD1      ILE  95  -7.181  -3.813   1.704
  775    H    THR  96           H        THR  96  -6.396  -2.225   6.892
  776    HA   THR  96           HA       THR  96  -8.164  -0.009   7.077
  777    HB   THR  96           HB       THR  96  -6.950  -1.483   9.425
  778    HG1  THR  96           1HG      THR  96  -7.752  -2.860   7.693
  779   HG21  THR  96          3HG2      THR  96  -8.605  -0.538  10.637
  780   HG22  THR  96          1HG2      THR  96  -9.810  -0.878   9.393
  781   HG23  THR  96          2HG2      THR  96  -8.809   0.570   9.278
  782    H    TYR  97           H        TYR  97  -4.841  -0.444   8.288
  783    HA   TYR  97           HA       TYR  97  -4.698   1.934   9.833
  784    HB2  TYR  97           2HB      TYR  97  -2.970   0.159   9.869
  785    HB3  TYR  97           1HB      TYR  97  -2.477   0.621   8.241
  786    HD1  TYR  97           1HD      TYR  97  -2.776   1.839  11.746
  787    HD2  TYR  97           2HD      TYR  97  -1.062   2.502   7.864
  788    HE1  TYR  97           1HE      TYR  97  -1.317   3.608  12.692
  789    HE2  TYR  97           2HE      TYR  97   0.394   4.272   8.809
  790    HH   TYR  97           HH       TYR  97   0.949   5.423  10.617
  791    H    LEU  98           H        LEU  98  -3.760   1.432   6.399
  792    HA   LEU  98           HA       LEU  98  -3.192   4.234   5.987
  793    HB2  LEU  98           2HB      LEU  98  -3.821   2.010   4.026
  794    HB3  LEU  98           1HB      LEU  98  -3.307   3.627   3.548
  795    HG   LEU  98           HG       LEU  98  -1.725   1.748   5.328
  796   HD11  LEU  98          1HD1      LEU  98  -1.902   2.110   2.422
  797   HD12  LEU  98          2HD1      LEU  98  -1.158   0.803   3.346
  798   HD13  LEU  98          3HD1      LEU  98  -0.259   2.291   3.040
  799   HD21  LEU  98          3HD2      LEU  98   0.009   3.646   4.458
  800   HD22  LEU  98          1HD2      LEU  98  -0.879   3.780   5.975
  801   HD23  LEU  98          2HD2      LEU  98  -1.472   4.599   4.531
  802    H    LYS  99           H        LYS  99  -6.057   2.217   5.610
  803    HA   LYS  99           HA       LYS  99  -7.679   4.058   4.191
  804    HB2  LYS  99           2HB      LYS  99  -8.288   1.673   4.677
  805    HB3  LYS  99           1HB      LYS  99  -8.564   2.124   6.357
  806    HG2  LYS  99           2HG      LYS  99 -10.717   2.252   5.450
  807    HG3  LYS  99           1HG      LYS  99 -10.173   3.925   5.346
  808    HD2  LYS  99           2HD      LYS  99  -9.536   3.601   2.999
  809    HD3  LYS  99           1HD      LYS  99  -9.993   1.900   3.095
  810    HE2  LYS  99           2HE      LYS  99 -11.791   4.323   3.268
  811    HE3  LYS  99           1HE      LYS  99 -11.859   3.001   2.104
  812    HZ1  LYS  99           3HZ      LYS  99 -12.399   1.497   3.943
  813    HZ2  LYS  99           1HZ      LYS  99 -13.558   2.722   3.765
  814    HZ3  LYS  99           2HZ      LYS  99 -12.412   2.815   5.017
  815    H    LYS 100           H        LYS 100  -7.025   3.724   7.666
  816    HA   LYS 100           HA       LYS 100  -8.868   5.682   8.598
  817    HB2  LYS 100           2HB      LYS 100  -7.600   4.102  10.056
  818    HB3  LYS 100           1HB      LYS 100  -6.131   5.019   9.722
  819    HG2  LYS 100           2HG      LYS 100  -7.244   7.056  10.642
  820    HG3  LYS 100           1HG      LYS 100  -8.635   6.060  11.076
  821    HD2  LYS 100           2HD      LYS 100  -7.073   4.599  12.406
  822    HD3  LYS 100           1HD      LYS 100  -5.802   5.782  12.105
  823    HE2  LYS 100           2HE      LYS 100  -6.570   6.671  14.073
  824    HE3  LYS 100           1HE      LYS 100  -7.742   7.436  12.999
  825    HZ1  LYS 100           3HZ      LYS 100  -8.493   4.779  13.767
  826    HZ2  LYS 100           1HZ      LYS 100  -9.390   6.218  13.829
  827    HZ3  LYS 100           2HZ      LYS 100  -8.335   5.823  15.099
  828    H    ALA 101           H        ALA 101  -5.532   5.962   7.439
  829    HA   ALA 101           HA       ALA 101  -5.159   8.725   8.017
  830    HB1  ALA 101           1HB      ALA 101  -3.296   7.273   7.357
  831    HB2  ALA 101           2HB      ALA 101  -3.411   8.641   6.250
  832    HB3  ALA 101           3HB      ALA 101  -4.010   7.056   5.759
  833    H    THR 102           H        THR 102  -6.836   7.108   5.378
  834    HA   THR 102           HA       THR 102  -7.013   9.389   3.636
  835    HB   THR 102           HB       THR 102  -8.759   8.156   2.489
  836    HG1  THR 102           1HG      THR 102  -9.047   5.998   3.926
  837   HG21  THR 102          3HG2      THR 102  -6.506   6.488   3.599
  838   HG22  THR 102          1HG2      THR 102  -6.641   7.225   2.003
  839   HG23  THR 102          2HG2      THR 102  -7.641   5.835   2.419
  840    H    GLU 103           H        GLU 103  -8.695   8.476   6.538
  841    HA   GLU 103           HA       GLU 103 -11.082  10.016   6.159
  842    HB2  GLU 103           2HB      GLU 103  -9.619   9.280   8.715
  843    HB3  GLU 103           1HB      GLU 103 -11.260   9.922   8.641
  844    HG2  GLU 103           2HG      GLU 103 -10.339   7.356   7.310
  845    HG3  GLU 103           1HG      GLU 103 -11.243   7.444   8.822
  846    HHA  HEC 201           HA       HEC 104   4.900   3.017  -5.484
  847    HHB  HEC 201           HB       HEC 104   1.180   0.388  -1.106
  848    HHC  HEC 201           HC       HEC 104   6.275  -0.972   2.388
  849    HHD  HEC 201           HD       HEC 104   9.994   1.588  -2.037
  850   HMA1  HEC 201          1HMA      HEC 104   0.112   2.189  -2.196
  851   HMA2  HEC 201          2HMA      HEC 104  -0.177   1.026  -3.486
  852   HMA3  HEC 201          3HMA      HEC 104   0.036   2.732  -3.872
  853   HAA1  HEC 201          1HAA      HEC 104   2.704   1.795  -6.400
  854   HAA2  HEC 201          2HAA      HEC 104   1.135   2.340  -5.834
  855   HBA1  HEC 201          1HBA      HEC 104   3.147   3.891  -7.062
  856   HBA2  HEC 201          2HBA      HEC 104   3.101   4.400  -5.375
  857   HMB1  HEC 201          1HMB      HEC 104   0.900  -1.548   0.020
  858   HMB2  HEC 201          2HMB      HEC 104   1.388  -2.311   1.523
  859   HMB3  HEC 201          3HMB      HEC 104   0.547  -0.762   1.555
  860    HAB  HEC 201           HAB      HEC 104   4.525  -1.681   3.510
  861   HBB1  HEC 201          1HBB      HEC 104   1.537  -1.219   3.515
  862   HBB2  HEC 201          2HBB      HEC 104   2.478  -1.780   4.888
  863   HBB3  HEC 201          3HBB      HEC 104   2.362  -2.779   3.446
  864   HMC1  HEC 201          1HMC      HEC 104   8.558  -1.042   3.155
  865   HMC2  HEC 201          2HMC      HEC 104  10.092  -1.201   2.299
  866   HMC3  HEC 201          3HMC      HEC 104   8.735  -2.249   1.880
  867    HAC  HEC 201           HAC      HEC 104  11.026   1.617  -0.089
  868   HBC1  HEC 201          1HBC      HEC 104  11.246  -1.237   0.080
  869   HBC2  HEC 201          2HBC      HEC 104  12.480  -0.070  -0.396
  870   HBC3  HEC 201          3HBC      HEC 104  12.294  -0.514   1.301
  871   HMD1  HEC 201          1HMD      HEC 104  10.072   3.115  -5.501
  872   HMD2  HEC 201          2HMD      HEC 104  10.170   1.438  -4.962
  873   HMD3  HEC 201          3HMD      HEC 104  10.683   2.741  -3.889
  874   HAD1  HEC 201          1HAD      HEC 104   8.320   4.599  -5.806
  875   HAD2  HEC 201          2HAD      HEC 104   6.572   4.481  -5.892
  876   HBD1  HEC 201          1HBD      HEC 104   7.824   3.975  -8.046
  877   HBD2  HEC 201          2HBD      HEC 104   8.403   2.508  -7.260
  Start of MODEL    2
    1    H1   THR  -5           1HT      THR  -5 -13.900 -10.359  -4.139
    2    H2   THR  -5           2HT      THR  -5 -14.391  -9.804  -2.610
    3    H3   THR  -5           3HT      THR  -5 -12.789  -9.574  -3.127
    4    HA   THR  -5           HA       THR  -5 -13.307  -7.864  -4.527
    5    HB   THR  -5           HB       THR  -5 -15.450  -7.598  -5.601
    6    HG1  THR  -5           1HG      THR  -5 -17.226  -8.545  -4.875
    7   HG21  THR  -5          1HG2      THR  -5 -15.315  -9.419  -6.991
    8   HG22  THR  -5          2HG2      THR  -5 -15.282 -10.568  -5.653
    9   HG23  THR  -5          3HG2      THR  -5 -13.822  -9.680  -6.089
   10    H    GLU  -4           H        GLU  -4 -14.880  -8.850  -1.643
   11    HA   GLU  -4           HA       GLU  -4 -15.739  -6.057  -1.053
   12    HB2  GLU  -4           2HB      GLU  -4 -17.380  -7.918  -0.696
   13    HB3  GLU  -4           1HB      GLU  -4 -16.291  -8.593   0.517
   14    HG2  GLU  -4           2HG      GLU  -4 -16.419  -6.444   1.777
   15    HG3  GLU  -4           1HG      GLU  -4 -17.594  -5.856   0.600
   16    H    PHE  -3           H        PHE  -3 -14.798  -4.915   0.647
   17    HA   PHE  -3           HA       PHE  -3 -12.320  -6.121   1.764
   18    HB2  PHE  -3           2HB      PHE  -3 -12.064  -3.949   0.648
   19    HB3  PHE  -3           1HB      PHE  -3 -13.273  -3.242   1.722
   20    HD1  PHE  -3           2HD      PHE  -3  -9.944  -4.937   1.690
   21    HD2  PHE  -3           1HD      PHE  -3 -12.680  -2.437   3.863
   22    HE1  PHE  -3           2HE      PHE  -3  -8.192  -4.492   3.388
   23    HE2  PHE  -3           1HE      PHE  -3 -10.926  -1.994   5.561
   24    HZ   PHE  -3           HZ       PHE  -3  -8.683  -3.022   5.323
   25    H    LYS  -2           H        LYS  -2 -12.214  -6.679   3.882
   26    HA   LYS  -2           HA       LYS  -2 -14.585  -6.311   5.568
   27    HB2  LYS  -2           2HB      LYS  -2 -13.196  -8.419   5.556
   28    HB3  LYS  -2           1HB      LYS  -2 -11.900  -7.501   6.321
   29    HG2  LYS  -2           2HG      LYS  -2 -13.350  -6.976   8.221
   30    HG3  LYS  -2           1HG      LYS  -2 -14.699  -7.807   7.446
   31    HD2  LYS  -2           2HD      LYS  -2 -13.721  -9.324   9.058
   32    HD3  LYS  -2           1HD      LYS  -2 -13.313  -9.908   7.444
   33    HE2  LYS  -2           2HE      LYS  -2 -11.083  -9.206   7.611
   34    HE3  LYS  -2           1HE      LYS  -2 -11.443  -8.042   8.886
   35    HZ1  LYS  -2           3HZ      LYS  -2 -10.760 -10.801   9.100
   36    HZ2  LYS  -2           1HZ      LYS  -2 -12.209 -10.460   9.911
   37    HZ3  LYS  -2           2HZ      LYS  -2 -10.796  -9.602  10.303
   38    H    ALA  -1           H        ALA  -1 -14.676  -5.002   7.430
   39    HA   ALA  -1           HA       ALA  -1 -13.525  -2.513   7.505
   40    HB1  ALA  -1           1HB      ALA  -1 -14.845  -4.211   9.422
   41    HB2  ALA  -1           2HB      ALA  -1 -14.798  -2.449   9.360
   42    HB3  ALA  -1           3HB      ALA  -1 -13.537  -3.336  10.217
   43    H    GLY   1           H        GLY   1 -11.933  -5.516   8.190
   44    HA2  GLY   1           2HA      GLY   1  -9.761  -5.984   8.989
   45    HA3  GLY   1           1HA      GLY   1  -9.328  -4.666   7.901
   46    H    SER   2           H        SER   2  -9.850  -5.562  11.228
   47    HA   SER   2           HA       SER   2  -9.836  -2.942  12.382
   48    HB2  SER   2           2HB      SER   2  -8.771  -5.528  13.556
   49    HB3  SER   2           1HB      SER   2  -9.179  -4.073  14.462
   50    HG   SER   2           HG       SER   2 -10.776  -6.018  13.932
   51    H    ALA   3           H        ALA   3  -8.029  -1.804  13.352
   52    HA   ALA   3           HA       ALA   3  -5.578  -2.046  11.770
   53    HB1  ALA   3           1HB      ALA   3  -6.563   0.160  12.465
   54    HB2  ALA   3           2HB      ALA   3  -4.871  -0.031  12.924
   55    HB3  ALA   3           3HB      ALA   3  -6.141  -0.229  14.133
   56    H    LYS   4           H        LYS   4  -4.361  -1.016  14.560
   57    HA   LYS   4           HA       LYS   4  -2.957  -1.977  16.165
   58    HB2  LYS   4           2HB      LYS   4  -5.181  -2.806  16.982
   59    HB3  LYS   4           1HB      LYS   4  -4.927  -4.279  16.046
   60    HG2  LYS   4           2HG      LYS   4  -2.820  -4.688  17.296
   61    HG3  LYS   4           1HG      LYS   4  -3.139  -3.250  18.267
   62    HD2  LYS   4           2HD      LYS   4  -5.321  -4.276  18.963
   63    HD3  LYS   4           1HD      LYS   4  -4.849  -5.748  18.113
   64    HE2  LYS   4           2HE      LYS   4  -3.595  -4.507  20.558
   65    HE3  LYS   4           1HE      LYS   4  -4.174  -6.158  20.336
   66    HZ1  LYS   4           3HZ      LYS   4  -1.789  -4.918  19.078
   67    HZ2  LYS   4           1HZ      LYS   4  -2.393  -6.446  18.661
   68    HZ3  LYS   4           2HZ      LYS   4  -1.806  -6.165  20.231
   69    H    LYS   5           H        LYS   5  -3.952  -5.107  14.816
   70    HA   LYS   5           HA       LYS   5  -1.286  -6.055  14.571
   71    HB2  LYS   5           2HB      LYS   5  -3.692  -6.942  12.952
   72    HB3  LYS   5           1HB      LYS   5  -2.229  -7.879  13.253
   73    HG2  LYS   5           2HG      LYS   5  -4.110  -6.900  15.421
   74    HG3  LYS   5           1HG      LYS   5  -4.129  -8.530  14.747
   75    HD2  LYS   5           2HD      LYS   5  -1.635  -8.636  15.394
   76    HD3  LYS   5           1HD      LYS   5  -1.960  -7.210  16.381
   77    HE2  LYS   5           2HE      LYS   5  -2.206  -9.240  17.733
   78    HE3  LYS   5           1HE      LYS   5  -3.766  -8.438  17.546
   79    HZ1  LYS   5           3HZ      LYS   5  -2.975 -11.033  16.712
   80    HZ2  LYS   5           1HZ      LYS   5  -3.530 -10.130  15.387
   81    HZ3  LYS   5           2HZ      LYS   5  -4.528 -10.341  16.748
   82    H    GLY   6           H        GLY   6  -3.467  -4.856  11.983
   83    HA2  GLY   6           2HA      GLY   6  -1.491  -4.988   9.921
   84    HA3  GLY   6           1HA      GLY   6  -2.936  -3.983   9.872
   85    H    ALA   7           H        ALA   7  -2.334  -2.448  12.243
   86    HA   ALA   7           HA       ALA   7  -0.820  -0.336  11.110
   87    HB1  ALA   7           1HB      ALA   7  -0.972  -0.755  14.086
   88    HB2  ALA   7           2HB      ALA   7  -2.424  -0.351  13.171
   89    HB3  ALA   7           3HB      ALA   7  -1.051   0.754  13.178
   90    H    THR   8           H        THR   8   0.160  -2.982  13.263
   91    HA   THR   8           HA       THR   8   2.860  -2.028  13.601
   92    HB   THR   8           HB       THR   8   3.294  -4.233  14.536
   93    HG1  THR   8           1HG      THR   8   1.835  -5.882  14.275
   94   HG21  THR   8          3HG2      THR   8   1.216  -2.499  15.360
   95   HG22  THR   8          1HG2      THR   8   2.137  -3.622  16.361
   96   HG23  THR   8          2HG2      THR   8   0.629  -4.144  15.608
   97    H    LEU   9           H        LEU   9   1.263  -4.215  11.308
   98    HA   LEU   9           HA       LEU   9   3.578  -5.242  10.024
   99    HB2  LEU   9           2HB      LEU   9   0.727  -4.818   9.261
  100    HB3  LEU   9           1HB      LEU   9   1.867  -5.074   7.947
  101    HG   LEU   9           HG       LEU   9   0.717  -7.158   8.938
  102   HD11  LEU   9          1HD1      LEU   9   2.594  -8.506   8.465
  103   HD12  LEU   9          2HD1      LEU   9   3.726  -7.291   9.052
  104   HD13  LEU   9          3HD1      LEU   9   2.877  -7.042   7.527
  105   HD21  LEU   9          3HD2      LEU   9   1.293  -7.932  11.034
  106   HD22  LEU   9          1HD2      LEU   9   1.390  -6.198  11.334
  107   HD23  LEU   9          2HD2      LEU   9   2.859  -7.123  11.023
  108    H    PHE  10           H        PHE  10   1.575  -2.454   9.078
  109    HA   PHE  10           HA       PHE  10   3.344  -1.509   7.044
  110    HB2  PHE  10           2HB      PHE  10   0.939  -0.799   7.391
  111    HB3  PHE  10           1HB      PHE  10   1.488   0.170   8.759
  112    HD1  PHE  10           1HD      PHE  10   3.050   2.076   8.403
  113    HD2  PHE  10           2HD      PHE  10   1.363  -0.124   5.127
  114    HE1  PHE  10           1HE      PHE  10   3.693   3.897   6.846
  115    HE2  PHE  10           2HE      PHE  10   2.013   1.693   3.569
  116    HZ   PHE  10           HZ       PHE  10   3.179   3.704   4.433
  117    H    LYS  11           H        LYS  11   3.061  -0.743  10.497
  118    HA   LYS  11           HA       LYS  11   4.978   1.342  10.593
  119    HB2  LYS  11           2HB      LYS  11   3.357   0.654  12.419
  120    HB3  LYS  11           1HB      LYS  11   4.468  -0.663  12.788
  121    HG2  LYS  11           2HG      LYS  11   6.290   0.979  13.138
  122    HG3  LYS  11           1HG      LYS  11   5.150   2.289  12.830
  123    HD2  LYS  11           2HD      LYS  11   3.742   1.413  14.725
  124    HD3  LYS  11           1HD      LYS  11   5.040   0.276  15.091
  125    HE2  LYS  11           2HE      LYS  11   5.170   3.299  15.165
  126    HE3  LYS  11           1HE      LYS  11   5.371   2.182  16.515
  127    HZ1  LYS  11           3HZ      LYS  11   7.532   2.694  15.949
  128    HZ2  LYS  11           1HZ      LYS  11   7.209   2.745  14.285
  129    HZ3  LYS  11           2HZ      LYS  11   7.284   1.250  15.089
  130    H    THR  12           H        THR  12   5.408  -2.180  10.867
  131    HA   THR  12           HA       THR  12   8.345  -1.727  11.122
  132    HB   THR  12           HB       THR  12   8.483  -3.941  12.025
  133    HG1  THR  12           1HG      THR  12   7.114  -5.396  11.422
  134   HG21  THR  12          3HG2      THR  12   5.869  -3.037  13.180
  135   HG22  THR  12          1HG2      THR  12   7.276  -1.982  13.329
  136   HG23  THR  12          2HG2      THR  12   7.320  -3.609  14.007
  137    H    ARG  13           H        ARG  13   6.272  -2.186   8.595
  138    HA   ARG  13           HA       ARG  13   8.434  -3.492   7.053
  139    HB2  ARG  13           2HB      ARG  13   5.590  -4.537   7.099
  140    HB3  ARG  13           1HB      ARG  13   6.854  -5.091   6.008
  141    HG2  ARG  13           2HG      ARG  13   8.237  -5.701   8.010
  142    HG3  ARG  13           1HG      ARG  13   6.855  -5.297   9.029
  143    HD2  ARG  13           2HD      ARG  13   6.767  -7.670   8.658
  144    HD3  ARG  13           1HD      ARG  13   5.501  -6.950   7.664
  145    HE   ARG  13           HE       ARG  13   7.619  -7.050   5.927
  146   HH11  ARG  13          1HH2      ARG  13   6.156  -9.293   8.099
  147   HH12  ARG  13          2HH2      ARG  13   6.543 -10.680   7.137
  148   HH21  ARG  13          1HH1      ARG  13   8.131  -8.848   4.657
  149   HH22  ARG  13          2HH1      ARG  13   7.660 -10.429   5.189
  150    H    CYS  14           H        CYS  14   7.171  -0.759   7.118
  151    HA   CYS  14           HA       CYS  14   7.036  -0.404   4.259
  152    HB2  CYS  14           2HB      CYS  14   4.762  -1.450   4.951
  153    HB3  CYS  14           1HB      CYS  14   4.403   0.145   5.612
  154    H    LEU  15           H        LEU  15   6.684   0.870   7.500
  155    HA   LEU  15           HA       LEU  15   6.249   3.622   6.919
  156    HB2  LEU  15           2HB      LEU  15   6.479   2.248   9.193
  157    HB3  LEU  15           1HB      LEU  15   8.126   2.856   9.111
  158    HG   LEU  15           HG       LEU  15   6.822   4.446  10.373
  159   HD11  LEU  15          1HD1      LEU  15   7.307   6.422   9.184
  160   HD12  LEU  15          2HD1      LEU  15   6.986   5.668   7.625
  161   HD13  LEU  15          3HD1      LEU  15   8.442   5.244   8.527
  162   HD21  LEU  15          3HD2      LEU  15   4.693   3.594   8.865
  163   HD22  LEU  15          1HD2      LEU  15   4.996   5.193   8.187
  164   HD23  LEU  15          2HD2      LEU  15   4.672   5.011   9.910
  165    H    GLN  16           H        GLN  16   9.236   1.709   6.991
  166    HA   GLN  16           HA       GLN  16  11.116   3.803   6.822
  167    HB2  GLN  16           2HB      GLN  16  11.211   1.037   5.590
  168    HB3  GLN  16           1HB      GLN  16  12.601   2.114   5.745
  169    HG2  GLN  16           2HG      GLN  16  12.317   2.153   8.186
  170    HG3  GLN  16           1HG      GLN  16  10.907   1.103   8.048
  171   HE21  GLN  16          1HE2      GLN  16  13.171   0.264   9.557
  172   HE22  GLN  16          2HE2      GLN  16  13.919  -1.028   8.748
  173    H    CYS  17           H        CYS  17   9.224   2.304   4.204
  174    HA   CYS  17           HA       CYS  17  10.635   4.031   2.251
  175    HB2  CYS  17           2HB      CYS  17   8.593   1.827   1.917
  176    HB3  CYS  17           1HB      CYS  17   9.230   2.783   0.579
  177    H    HIS  18           H        HIS  18   7.243   3.390   3.238
  178    HA   HIS  18           HA       HIS  18   6.487   5.945   1.904
  179    HB2  HIS  18           2HB      HIS  18   4.874   3.593   2.915
  180    HB3  HIS  18           1HB      HIS  18   4.133   5.091   2.344
  181    HD1  HIS  18           1HD      HIS  18   4.713   5.735  -0.237
  182    HD2  HIS  18           2HD      HIS  18   5.605   1.844   0.934
  183    HE1  HIS  18           1HE      HIS  18   4.977   4.386  -2.376
  184    H    THR  19           H        THR  19   6.117   7.723   3.126
  185    HA   THR  19           HA       THR  19   6.094   7.468   6.064
  186    HB   THR  19           HB       THR  19   6.254   9.898   6.074
  187    HG1  THR  19           1HG      THR  19   5.935  11.072   4.263
  188   HG21  THR  19          3HG2      THR  19   8.028   9.447   3.780
  189   HG22  THR  19          1HG2      THR  19   8.145   8.194   5.016
  190   HG23  THR  19          2HG2      THR  19   8.427   9.883   5.441
  191    H    VAL  20           H        VAL  20   3.871   7.977   3.438
  192    HA   VAL  20           HA       VAL  20   1.533   8.137   3.424
  193    HB   VAL  20           HB       VAL  20   1.542   7.564   6.381
  194   HG11  VAL  20          1HG1      VAL  20  -0.466   6.223   5.683
  195   HG12  VAL  20          2HG1      VAL  20  -0.245   6.834   4.044
  196   HG13  VAL  20          3HG1      VAL  20  -0.622   7.949   5.357
  197   HG21  VAL  20          3HG2      VAL  20   1.439   5.088   5.309
  198   HG22  VAL  20          1HG2      VAL  20   2.950   5.827   5.843
  199   HG23  VAL  20          2HG2      VAL  20   2.505   5.862   4.137
  200    H    GLU  21           H        GLU  21   3.521  10.224   5.034
  201    HA   GLU  21           HA       GLU  21   1.283  11.908   6.055
  202    HB2  GLU  21           2HB      GLU  21   4.286  12.180   6.392
  203    HB3  GLU  21           1HB      GLU  21   3.088  13.270   7.091
  204    HG2  GLU  21           2HG      GLU  21   2.079  11.345   8.301
  205    HG3  GLU  21           1HG      GLU  21   3.345  10.302   7.652
  206    H    LYS  22           H        LYS  22   0.567  13.549   4.790
  207    HA   LYS  22           HA       LYS  22   1.796  14.139   2.245
  208    HB2  LYS  22           2HB      LYS  22   0.063  15.807   1.999
  209    HB3  LYS  22           1HB      LYS  22  -0.657  14.394   2.768
  210    HG2  LYS  22           2HG      LYS  22  -0.289  15.488   4.996
  211    HG3  LYS  22           1HG      LYS  22   0.257  16.936   4.146
  212    HD2  LYS  22           2HD      LYS  22  -1.966  16.886   2.897
  213    HD3  LYS  22           1HD      LYS  22  -2.487  15.669   4.061
  214    HE2  LYS  22           2HE      LYS  22  -3.147  17.447   5.312
  215    HE3  LYS  22           1HE      LYS  22  -1.435  17.595   5.710
  216    HZ1  LYS  22           3HZ      LYS  22  -1.975  19.686   4.934
  217    HZ2  LYS  22           1HZ      LYS  22  -3.010  19.099   3.726
  218    HZ3  LYS  22           2HZ      LYS  22  -1.327  18.950   3.547
  219    H    GLY  23           H        GLY  23   1.780  15.764   5.401
  220    HA2  GLY  23           2HA      GLY  23   3.079  18.162   4.622
  221    HA3  GLY  23           1HA      GLY  23   3.172  17.458   6.235
  222    H    GLY  24           H        GLY  24   4.387  14.974   5.419
  223    HA2  GLY  24           2HA      GLY  24   7.153  15.863   5.321
  224    HA3  GLY  24           1HA      GLY  24   6.612  14.185   5.355
  225    HA   PRO  25           HA       PRO  25   7.711  15.666   0.927
  226    HB2  PRO  25           2HB      PRO  25  10.356  15.057   0.753
  227    HB3  PRO  25           1HB      PRO  25   9.778  16.635   1.321
  228    HG2  PRO  25           2HG      PRO  25  10.738  14.293   2.896
  229    HG3  PRO  25           1HG      PRO  25  11.064  16.019   3.127
  230    HD2  PRO  25           2HD      PRO  25   9.209  14.647   4.604
  231    HD3  PRO  25           1HD      PRO  25   9.082  16.386   4.254
  232    H    HIS  26           H        HIS  26   9.589  13.967  -0.420
  233    HA   HIS  26           HA       HIS  26   8.230  11.327  -0.070
  234    HB2  HIS  26           2HB      HIS  26   9.666  12.503  -2.471
  235    HB3  HIS  26           1HB      HIS  26   8.934  10.901  -2.416
  236    HD1  HIS  26           1HD      HIS  26   6.274  10.854  -2.007
  237    HD2  HIS  26           2HD      HIS  26   7.874  14.567  -3.034
  238    HE1  HIS  26           1HE      HIS  26   4.326  12.294  -2.747
  239    HE2  HIS  26           2HE      HIS  26   5.287  14.559  -3.367
  240    H    LYS  27           H        LYS  27   9.477   9.574   0.476
  241    HA   LYS  27           HA       LYS  27  12.414  10.041   0.738
  242    HB2  LYS  27           2HB      LYS  27  10.969   9.318   2.742
  243    HB3  LYS  27           1HB      LYS  27  10.849   7.752   1.942
  244    HG2  LYS  27           2HG      LYS  27  13.337   7.620   1.888
  245    HG3  LYS  27           1HG      LYS  27  13.415   9.147   2.763
  246    HD2  LYS  27           2HD      LYS  27  12.062   8.101   4.598
  247    HD3  LYS  27           1HD      LYS  27  12.176   6.562   3.745
  248    HE2  LYS  27           2HE      LYS  27  14.794   7.763   3.962
  249    HE3  LYS  27           1HE      LYS  27  14.050   7.648   5.557
  250    HZ1  LYS  27           3HZ      LYS  27  13.943   5.358   3.708
  251    HZ2  LYS  27           1HZ      LYS  27  13.857   5.370   5.401
  252    HZ3  LYS  27           2HZ      LYS  27  15.345   5.642   4.627
  253    H    VAL  28           H        VAL  28  12.036   6.814   0.955
  254    HA   VAL  28           HA       VAL  28  13.246   6.279  -1.589
  255    HB   VAL  28           HB       VAL  28  11.802   4.389   0.298
  256   HG11  VAL  28          1HG1      VAL  28  13.123   2.639  -0.838
  257   HG12  VAL  28          2HG1      VAL  28  13.787   3.849  -1.933
  258   HG13  VAL  28          3HG1      VAL  28  12.066   3.468  -1.981
  259   HG21  VAL  28          3HG2      VAL  28  13.634   4.498   1.609
  260   HG22  VAL  28          1HG2      VAL  28  14.193   5.851   0.625
  261   HG23  VAL  28          2HG2      VAL  28  14.691   4.207   0.226
  262    H    GLY  29           H        GLY  29   9.909   6.091  -0.413
  263    HA2  GLY  29           2HA      GLY  29   9.029   5.767  -3.256
  264    HA3  GLY  29           1HA      GLY  29   8.238   4.893  -1.944
  265    HA   PRO  30           HA       PRO  30   6.414   9.262  -2.741
  266    HB2  PRO  30           2HB      PRO  30   3.977   8.352  -3.686
  267    HB3  PRO  30           1HB      PRO  30   5.331   8.854  -4.714
  268    HG2  PRO  30           2HG      PRO  30   4.457   6.124  -3.937
  269    HG3  PRO  30           1HG      PRO  30   5.101   6.714  -5.479
  270    HD2  PRO  30           2HD      PRO  30   6.623   5.302  -3.720
  271    HD3  PRO  30           1HD      PRO  30   7.310   6.562  -4.772
  272    H    ASN  31           H        ASN  31   4.837  10.203  -1.332
  273    HA   ASN  31           HA       ASN  31   4.146   8.559   0.990
  274    HB2  ASN  31           2HB      ASN  31   3.527  11.450   0.302
  275    HB3  ASN  31           1HB      ASN  31   3.142  10.687   1.845
  276   HD21  ASN  31          1HD2      ASN  31   5.985   9.268   0.781
  277   HD22  ASN  31          2HD2      ASN  31   7.099  10.268   1.584
  278    H    LEU  32           H        LEU  32   2.052   7.854   1.526
  279    HA   LEU  32           HA       LEU  32   0.091   7.963  -0.696
  280    HB2  LEU  32           2HB      LEU  32   0.151   6.304   1.844
  281    HB3  LEU  32           1HB      LEU  32  -1.112   6.214   0.619
  282    HG   LEU  32           HG       LEU  32   0.690   5.700  -1.080
  283   HD11  LEU  32          1HD1      LEU  32   2.330   6.061   1.341
  284   HD12  LEU  32          2HD1      LEU  32   2.791   6.156  -0.357
  285   HD13  LEU  32          3HD1      LEU  32   2.690   4.588   0.441
  286   HD21  LEU  32          3HD2      LEU  32   1.138   3.416   0.527
  287   HD22  LEU  32          1HD2      LEU  32  -0.106   3.626  -0.705
  288   HD23  LEU  32          2HD2      LEU  32  -0.454   4.027   0.978
  289    H    HIS  33           H        HIS  33  -1.890   8.964  -0.506
  290    HA   HIS  33           HA       HIS  33  -3.076   9.740   1.998
  291    HB2  HIS  33           2HB      HIS  33  -1.183  11.373   1.928
  292    HB3  HIS  33           1HB      HIS  33  -1.804  11.981   0.394
  293    HD1  HIS  33           1HD      HIS  33  -3.895  13.470   0.451
  294    HD2  HIS  33           2HD      HIS  33  -2.842  11.987   4.206
  295    HE1  HIS  33           1HE      HIS  33  -5.308  14.724   2.142
  296    HE2  HIS  33           2HE      HIS  33  -4.674  13.829   4.428
  297    H    GLY  34           H        GLY  34  -4.910   8.838   0.945
  298    HA2  GLY  34           2HA      GLY  34  -7.016   9.375  -0.080
  299    HA3  GLY  34           1HA      GLY  34  -6.230  10.701  -0.939
  300    H    ILE  35           H        ILE  35  -4.264   8.016  -1.131
  301    HA   ILE  35           HA       ILE  35  -4.550   7.706  -3.938
  302    HB   ILE  35           HB       ILE  35  -2.605   6.946  -2.457
  303   HG12  ILE  35          2HG1      ILE  35  -3.612   4.796  -4.336
  304   HG13  ILE  35          1HG1      ILE  35  -3.011   6.347  -4.924
  305   HG21  ILE  35          1HG2      ILE  35  -4.167   5.655  -0.913
  306   HG22  ILE  35          2HG2      ILE  35  -2.728   4.780  -1.439
  307   HG23  ILE  35          3HG2      ILE  35  -4.288   4.447  -2.191
  308   HD11  ILE  35          3HD1      ILE  35  -1.454   4.443  -3.152
  309   HD12  ILE  35          1HD1      ILE  35  -0.860   5.963  -3.817
  310   HD13  ILE  35          2HD1      ILE  35  -1.229   4.616  -4.892
  311    H    PHE  36           H        PHE  36  -6.400   6.389  -1.315
  312    HA   PHE  36           HA       PHE  36  -7.468   4.094  -2.678
  313    HB2  PHE  36           2HB      PHE  36  -8.487   5.775  -0.378
  314    HB3  PHE  36           1HB      PHE  36  -9.315   4.330  -0.950
  315    HD1  PHE  36           2HD      PHE  36  -6.223   5.620   0.627
  316    HD2  PHE  36           1HD      PHE  36  -8.417   2.123  -0.564
  317    HE1  PHE  36           2HE      PHE  36  -4.689   4.200   1.963
  318    HE2  PHE  36           1HE      PHE  36  -6.882   0.706   0.770
  319    HZ   PHE  36           HZ       PHE  36  -5.019   1.744   2.031
  320    H    GLY  37           H        GLY  37  -9.152   3.953  -4.118
  321    HA2  GLY  37           2HA      GLY  37 -10.982   4.625  -5.441
  322    HA3  GLY  37           1HA      GLY  37 -11.172   6.019  -4.376
  323    H    ARG  38           H        ARG  38  -8.045   5.479  -5.774
  324    HA   ARG  38           HA       ARG  38  -8.611   7.407  -7.952
  325    HB2  ARG  38           2HB      ARG  38  -6.543   7.817  -5.780
  326    HB3  ARG  38           1HB      ARG  38  -6.575   8.732  -7.288
  327    HG2  ARG  38           2HG      ARG  38  -8.921   9.426  -6.765
  328    HG3  ARG  38           1HG      ARG  38  -8.777   8.613  -5.207
  329    HD2  ARG  38           2HD      ARG  38  -6.831  10.065  -4.662
  330    HD3  ARG  38           1HD      ARG  38  -7.066  10.915  -6.187
  331    HE   ARG  38           HE       ARG  38  -8.807  12.105  -5.153
  332   HH11  ARG  38          1HH2      ARG  38  -8.205   9.107  -3.558
  333   HH12  ARG  38          2HH2      ARG  38  -9.355   9.399  -2.294
  334   HH21  ARG  38          1HH1      ARG  38 -10.308  12.501  -3.513
  335   HH22  ARG  38          2HH1      ARG  38 -10.544  11.318  -2.270
  336    H    HIS  39           H        HIS  39  -6.676   7.602  -9.441
  337    HA   HIS  39           HA       HIS  39  -5.508   4.904  -9.789
  338    HB2  HIS  39           2HB      HIS  39  -5.633   7.305 -11.633
  339    HB3  HIS  39           1HB      HIS  39  -4.886   5.764 -12.054
  340    HD1  HIS  39           1HD      HIS  39  -8.225   7.371 -11.432
  341    HD2  HIS  39           2HD      HIS  39  -6.723   3.638 -12.533
  342    HE1  HIS  39           1HE      HIS  39 -10.210   5.998 -12.207
  343    HE2  HIS  39           2HE      HIS  39  -9.306   3.724 -12.879
  344    H    SER  40           H        SER  40  -3.209   4.761 -10.471
  345    HA   SER  40           HA       SER  40  -1.476   6.113  -8.626
  346    HB2  SER  40           2HB      SER  40   0.309   4.914  -9.703
  347    HB3  SER  40           1HB      SER  40  -1.089   3.842  -9.693
  348    HG   SER  40           HG       SER  40  -1.423   5.091 -11.863
  349    H    GLY  41           H        GLY  41   0.468   7.403  -9.363
  350    HA2  GLY  41           2HA      GLY  41   1.484   8.941 -10.940
  351    HA3  GLY  41           1HA      GLY  41  -0.060   9.037 -11.785
  352    H    GLN  42           H        GLN  42  -1.113   9.174  -8.781
  353    HA   GLN  42           HA       GLN  42  -1.641  11.978  -8.800
  354    HB2  GLN  42           2HB      GLN  42  -2.959  10.217  -7.557
  355    HB3  GLN  42           1HB      GLN  42  -1.655  10.171  -6.370
  356    HG2  GLN  42           2HG      GLN  42  -1.950  12.632  -6.024
  357    HG3  GLN  42           1HG      GLN  42  -3.344  12.579  -7.105
  358   HE21  GLN  42          1HE2      GLN  42  -5.325  11.743  -6.272
  359   HE22  GLN  42          2HE2      GLN  42  -5.508  11.218  -4.668
  360    H    ALA  43           H        ALA  43   0.863  10.061  -7.160
  361    HA   ALA  43           HA       ALA  43   1.898  12.293  -5.637
  362    HB1  ALA  43           1HB      ALA  43   2.263   9.667  -5.398
  363    HB2  ALA  43           2HB      ALA  43   3.484  10.815  -4.850
  364    HB3  ALA  43           3HB      ALA  43   3.667  10.011  -6.407
  365    H    GLU  44           H        GLU  44   1.749  13.664  -7.727
  366    HA   GLU  44           HA       GLU  44   3.666  13.386  -9.817
  367    HB2  GLU  44           2HB      GLU  44   2.383  15.885  -8.669
  368    HB3  GLU  44           1HB      GLU  44   3.283  15.827 -10.185
  369    HG2  GLU  44           2HG      GLU  44   1.690  14.122 -11.041
  370    HG3  GLU  44           1HG      GLU  44   0.767  14.261  -9.545
  371    H    GLY  45           H        GLY  45   3.882  14.777  -6.588
  372    HA2  GLY  45           2HA      GLY  45   6.289  16.234  -6.843
  373    HA3  GLY  45           1HA      GLY  45   5.761  15.449  -5.354
  374    H    TYR  46           H        TYR  46   5.752  12.758  -6.507
  375    HA   TYR  46           HA       TYR  46   8.713  12.342  -6.615
  376    HB2  TYR  46           2HB      TYR  46   7.361  11.311  -4.711
  377    HB3  TYR  46           1HB      TYR  46   6.605  10.283  -5.927
  378    HD1  TYR  46           1HD      TYR  46   9.889  11.259  -4.467
  379    HD2  TYR  46           2HD      TYR  46   7.723   8.358  -6.779
  380    HE1  TYR  46           1HE      TYR  46  11.838   9.730  -4.371
  381    HE2  TYR  46           2HE      TYR  46   9.678   6.826  -6.683
  382    HH   TYR  46           HH       TYR  46  12.141   7.014  -6.359
  383    H    SER  47           H        SER  47   9.569  11.358  -8.409
  384    HA   SER  47           HA       SER  47   8.007  11.121 -10.794
  385    HB2  SER  47           2HB      SER  47  10.708   9.895 -10.171
  386    HB3  SER  47           1HB      SER  47  10.020  10.115 -11.778
  387    HG   SER  47           HG       SER  47   9.882  12.417 -11.128
  388    H    TYR  48           H        TYR  48   7.525   9.170 -12.002
  389    HA   TYR  48           HA       TYR  48   7.055   6.803 -10.232
  390    HB2  TYR  48           2HB      TYR  48   5.531   7.895 -12.601
  391    HB3  TYR  48           1HB      TYR  48   5.316   6.235 -12.051
  392    HD1  TYR  48           2HD      TYR  48   4.847   9.794 -11.194
  393    HD2  TYR  48           1HD      TYR  48   4.277   5.733  -9.912
  394    HE1  TYR  48           2HE      TYR  48   3.297  10.569  -9.420
  395    HE2  TYR  48           1HE      TYR  48   2.729   6.508  -8.139
  396    HH   TYR  48           HH       TYR  48   1.634   8.243  -7.289
  397    H    THR  49           H        THR  49   7.659   4.753 -11.022
  398    HA   THR  49           HA       THR  49   9.796   4.763 -13.004
  399    HB   THR  49           HB       THR  49  10.074   2.451 -12.454
  400    HG1  THR  49           1HG      THR  49   7.438   2.535 -12.277
  401   HG21  THR  49          3HG2      THR  49   9.065   3.968 -10.031
  402   HG22  THR  49          1HG2      THR  49  10.720   3.947 -10.641
  403   HG23  THR  49          2HG2      THR  49  10.013   2.482  -9.960
  404    H    ASP  50           H        ASP  50   9.748   3.332 -14.925
  405    HA   ASP  50           HA       ASP  50   7.528   3.832 -16.613
  406    HB2  ASP  50           2HB      ASP  50   9.688   1.729 -16.787
  407    HB3  ASP  50           1HB      ASP  50   8.548   2.068 -18.085
  408    H    ALA  51           H        ALA  51   8.227   1.114 -14.482
  409    HA   ALA  51           HA       ALA  51   6.453  -0.821 -15.428
  410    HB1  ALA  51           1HB      ALA  51   7.846  -0.304 -12.996
  411    HB2  ALA  51           2HB      ALA  51   7.168  -1.831 -13.558
  412    HB3  ALA  51           3HB      ALA  51   6.187  -0.736 -12.586
  413    H    ASN  52           H        ASN  52   5.519   1.303 -12.685
  414    HA   ASN  52           HA       ASN  52   2.757   0.780 -12.881
  415    HB2  ASN  52           2HB      ASN  52   3.857   1.972 -10.979
  416    HB3  ASN  52           1HB      ASN  52   4.008   3.400 -12.005
  417   HD21  ASN  52          1HD2      ASN  52   1.540   1.188 -10.579
  418   HD22  ASN  52          2HD2      ASN  52   0.288   2.336 -10.601
  419    H    ILE  53           H        ILE  53   4.671   3.300 -14.537
  420    HA   ILE  53           HA       ILE  53   2.482   4.650 -15.744
  421    HB   ILE  53           HB       ILE  53   5.293   4.233 -16.797
  422   HG12  ILE  53          2HG1      ILE  53   4.113   6.535 -15.212
  423   HG13  ILE  53          1HG1      ILE  53   5.113   5.262 -14.512
  424   HG21  ILE  53          1HG2      ILE  53   2.958   5.551 -17.875
  425   HG22  ILE  53          2HG2      ILE  53   4.543   5.327 -18.611
  426   HG23  ILE  53          3HG2      ILE  53   4.242   6.720 -17.575
  427   HD11  ILE  53          3HD1      ILE  53   7.016   6.199 -15.291
  428   HD12  ILE  53          1HD1      ILE  53   6.044   7.629 -15.644
  429   HD13  ILE  53          2HD1      ILE  53   6.328   6.423 -16.900
  430    H    LYS  54           H        LYS  54   4.466   1.926 -16.921
  431    HA   LYS  54           HA       LYS  54   3.151   1.608 -19.428
  432    HB2  LYS  54           2HB      LYS  54   5.289   0.476 -18.771
  433    HB3  LYS  54           1HB      LYS  54   4.357  -0.577 -17.705
  434    HG2  LYS  54           2HG      LYS  54   3.023  -1.338 -19.657
  435    HG3  LYS  54           1HG      LYS  54   4.019  -0.332 -20.709
  436    HD2  LYS  54           2HD      LYS  54   6.035  -1.590 -19.906
  437    HD3  LYS  54           1HD      LYS  54   4.956  -2.665 -19.017
  438    HE2  LYS  54           2HE      LYS  54   3.985  -3.520 -20.996
  439    HE3  LYS  54           1HE      LYS  54   4.589  -2.180 -21.971
  440    HZ1  LYS  54           3HZ      LYS  54   5.855  -4.253 -22.276
  441    HZ2  LYS  54           1HZ      LYS  54   6.307  -4.203 -20.642
  442    HZ3  LYS  54           2HZ      LYS  54   6.817  -2.976 -21.700
  443    H    LYS  55           H        LYS  55   2.401   0.393 -16.198
  444    HA   LYS  55           HA       LYS  55  -0.243  -0.528 -17.252
  445    HB2  LYS  55           2HB      LYS  55   1.190  -2.455 -16.647
  446    HB3  LYS  55           1HB      LYS  55   1.402  -1.783 -15.032
  447    HG2  LYS  55           2HG      LYS  55  -1.036  -1.920 -14.655
  448    HG3  LYS  55           1HG      LYS  55  -1.242  -2.612 -16.265
  449    HD2  LYS  55           2HD      LYS  55   0.299  -4.477 -15.590
  450    HD3  LYS  55           1HD      LYS  55   0.303  -3.819 -13.954
  451    HE2  LYS  55           2HE      LYS  55  -2.304  -4.414 -15.334
  452    HE3  LYS  55           1HE      LYS  55  -1.404  -5.707 -14.541
  453    HZ1  LYS  55           3HZ      LYS  55  -2.384  -3.196 -13.299
  454    HZ2  LYS  55           1HZ      LYS  55  -1.366  -4.308 -12.520
  455    HZ3  LYS  55           2HZ      LYS  55  -2.932  -4.775 -12.986
  456    H    ASN  56           H        ASN  56  -1.772   0.825 -16.440
  457    HA   ASN  56           HA       ASN  56  -1.263   2.117 -13.812
  458    HB2  ASN  56           2HB      ASN  56  -1.985   3.412 -15.945
  459    HB3  ASN  56           1HB      ASN  56  -3.586   2.740 -15.630
  460   HD21  ASN  56          1HD2      ASN  56  -2.226   2.958 -12.625
  461   HD22  ASN  56          2HD2      ASN  56  -2.741   4.513 -12.180
  462    H    VAL  57           H        VAL  57  -2.554   1.677 -12.051
  463    HA   VAL  57           HA       VAL  57  -4.858  -0.178 -12.476
  464    HB   VAL  57           HB       VAL  57  -2.857  -1.400 -11.634
  465   HG11  VAL  57          1HG1      VAL  57  -2.473   0.924 -10.152
  466   HG12  VAL  57          2HG1      VAL  57  -1.588  -0.587  -9.946
  467   HG13  VAL  57          3HG1      VAL  57  -3.003  -0.250  -8.949
  468   HG21  VAL  57          3HG2      VAL  57  -5.349  -1.814 -10.924
  469   HG22  VAL  57          1HG2      VAL  57  -4.818  -1.195  -9.360
  470   HG23  VAL  57          2HG2      VAL  57  -4.060  -2.633 -10.042
  471    H    LEU  58           H        LEU  58  -6.608   0.126 -11.056
  472    HA   LEU  58           HA       LEU  58  -6.780   2.780  -9.835
  473    HB2  LEU  58           2HB      LEU  58  -8.736   1.785 -10.970
  474    HB3  LEU  58           1HB      LEU  58  -8.727   0.447  -9.822
  475    HG   LEU  58           HG       LEU  58  -9.071   2.086  -7.967
  476   HD11  LEU  58          1HD1      LEU  58 -10.074   4.331  -9.179
  477   HD12  LEU  58          2HD1      LEU  58  -8.706   3.948 -10.223
  478   HD13  LEU  58          3HD1      LEU  58  -8.452   4.204  -8.496
  479   HD21  LEU  58          3HD2      LEU  58 -11.184   1.386  -8.366
  480   HD22  LEU  58          1HD2      LEU  58 -10.948   1.436 -10.113
  481   HD23  LEU  58          2HD2      LEU  58 -11.404   2.901  -9.242
  482    H    TRP  59           H        TRP  59  -6.413   3.221  -7.687
  483    HA   TRP  59           HA       TRP  59  -5.663   0.928  -5.975
  484    HB2  TRP  59           2HB      TRP  59  -5.305   3.918  -5.688
  485    HB3  TRP  59           1HB      TRP  59  -4.903   2.777  -4.402
  486    HD1  TRP  59           HD       TRP  59  -3.442   4.378  -7.353
  487    HE1  TRP  59           1HE      TRP  59  -1.269   3.193  -8.073
  488    HE3  TRP  59           3HE      TRP  59  -3.809   0.117  -4.577
  489    HZ2  TRP  59           2HZ      TRP  59   0.127   0.752  -7.544
  490    HZ3  TRP  59           3HZ      TRP  59  -2.047  -1.616  -4.699
  491    HH2  TRP  59           HH       TRP  59  -0.080  -1.305  -6.179
  492    H    ASP  60           H        ASP  60  -7.028   0.127  -4.544
  493    HA   ASP  60           HA       ASP  60  -8.965   1.819  -3.121
  494    HB2  ASP  60           2HB      ASP  60 -10.089   1.067  -5.282
  495    HB3  ASP  60           1HB      ASP  60  -9.946  -0.587  -4.684
  496    H    GLU  61           H        GLU  61 -10.133   0.355  -1.438
  497    HA   GLU  61           HA       GLU  61  -8.208  -1.029   0.100
  498    HB2  GLU  61           2HB      GLU  61 -11.221  -1.390   0.071
  499    HB3  GLU  61           1HB      GLU  61 -10.145  -1.953   1.351
  500    HG2  GLU  61           2HG      GLU  61  -9.396   0.383   1.724
  501    HG3  GLU  61           1HG      GLU  61 -10.525   0.929   0.485
  502    H    ASN  62           H        ASN  62 -10.534  -2.275  -2.283
  503    HA   ASN  62           HA       ASN  62  -9.882  -5.054  -1.850
  504    HB2  ASN  62           2HB      ASN  62 -11.974  -4.359  -2.941
  505    HB3  ASN  62           1HB      ASN  62 -11.055  -3.677  -4.284
  506   HD21  ASN  62          1HD2      ASN  62 -10.144  -5.137  -5.842
  507   HD22  ASN  62          2HD2      ASN  62 -10.474  -6.803  -5.834
  508    H    ASN  63           H        ASN  63  -8.868  -2.709  -4.348
  509    HA   ASN  63           HA       ASN  63  -7.154  -4.466  -5.768
  510    HB2  ASN  63           2HB      ASN  63  -7.932  -2.174  -6.497
  511    HB3  ASN  63           1HB      ASN  63  -6.711  -1.496  -5.419
  512   HD21  ASN  63          1HD2      ASN  63  -4.725  -1.124  -6.406
  513   HD22  ASN  63          2HD2      ASN  63  -4.147  -1.945  -7.775
  514    H    MET  64           H        MET  64  -6.458  -2.356  -2.984
  515    HA   MET  64           HA       MET  64  -3.644  -2.813  -2.949
  516    HB2  MET  64           2HB      MET  64  -5.575  -2.179  -0.706
  517    HB3  MET  64           1HB      MET  64  -3.824  -2.236  -0.494
  518    HG2  MET  64           2HG      MET  64  -3.623  -0.553  -2.357
  519    HG3  MET  64           1HG      MET  64  -5.379  -0.403  -2.334
  520    HE1  MET  64           3HE      MET  64  -4.408   1.785  -2.411
  521    HE2  MET  64           1HE      MET  64  -3.453   2.590  -1.158
  522    HE3  MET  64           2HE      MET  64  -5.214   2.658  -1.108
  523    H    SER  65           H        SER  65  -6.329  -4.666  -1.544
  524    HA   SER  65           HA       SER  65  -4.801  -6.453   0.030
  525    HB2  SER  65           2HB      SER  65  -7.284  -7.089  -1.590
  526    HB3  SER  65           1HB      SER  65  -6.668  -8.032  -0.236
  527    HG   SER  65           HG       SER  65  -7.824  -5.463  -0.277
  528    H    GLU  66           H        GLU  66  -5.585  -6.564  -3.441
  529    HA   GLU  66           HA       GLU  66  -4.230  -9.076  -3.902
  530    HB2  GLU  66           2HB      GLU  66  -5.942  -8.092  -5.445
  531    HB3  GLU  66           1HB      GLU  66  -4.774  -6.845  -5.882
  532    HG2  GLU  66           2HG      GLU  66  -3.194  -8.631  -6.613
  533    HG3  GLU  66           1HG      GLU  66  -4.437  -9.834  -6.269
  534    H    HIS  67           H        HIS  67  -3.247  -5.678  -4.032
  535    HA   HIS  67           HA       HIS  67  -0.695  -6.060  -5.242
  536    HB2  HIS  67           2HB      HIS  67  -1.907  -3.868  -4.856
  537    HB3  HIS  67           1HB      HIS  67  -1.391  -3.964  -3.174
  538    HD1  HIS  67           1HD      HIS  67   0.185  -4.070  -6.651
  539    HD2  HIS  67           2HD      HIS  67   1.126  -2.879  -2.765
  540    HE1  HIS  67           1HE      HIS  67   2.461  -2.965  -6.769
  541    HE2  HIS  67           2HE      HIS  67   3.045  -2.241  -4.411
  542    H    LEU  68           H        LEU  68  -1.610  -5.905  -1.796
  543    HA   LEU  68           HA       LEU  68   1.021  -6.324  -0.775
  544    HB2  LEU  68           2HB      LEU  68  -1.750  -6.644   0.316
  545    HB3  LEU  68           1HB      LEU  68  -0.399  -7.321   1.224
  546    HG   LEU  68           HG       LEU  68   0.676  -5.179   1.389
  547   HD11  LEU  68          1HD1      LEU  68  -0.650  -3.173   0.347
  548   HD12  LEU  68          2HD1      LEU  68  -1.333  -4.406  -0.705
  549   HD13  LEU  68          3HD1      LEU  68   0.405  -4.134  -0.688
  550   HD21  LEU  68          3HD2      LEU  68  -2.302  -5.089   1.901
  551   HD22  LEU  68          1HD2      LEU  68  -1.234  -3.767   2.372
  552   HD23  LEU  68          2HD2      LEU  68  -1.006  -5.374   3.062
  553    H    THR  69           H        THR  69  -1.330  -8.551  -2.100
  554    HA   THR  69           HA       THR  69   0.109 -10.892  -1.039
  555    HB   THR  69           HB       THR  69  -2.068 -10.789  -3.149
  556    HG1  THR  69           1HG      THR  69  -2.795  -9.883  -1.225
  557   HG21  THR  69          3HG2      THR  69  -1.075 -13.002  -1.331
  558   HG22  THR  69          1HG2      THR  69  -0.800 -12.894  -3.069
  559   HG23  THR  69          2HG2      THR  69  -2.434 -13.131  -2.448
  560    H    ASN  70           H        ASN  70   1.844 -11.777  -2.060
  561    HA   ASN  70           HA       ASN  70   3.572 -11.925  -3.666
  562    HB2  ASN  70           2HB      ASN  70   1.088 -12.406  -5.340
  563    HB3  ASN  70           1HB      ASN  70   2.731 -12.831  -5.824
  564   HD21  ASN  70          1HD2      ASN  70   3.395 -14.907  -5.243
  565   HD22  ASN  70          2HD2      ASN  70   2.680 -15.853  -4.029
  566    HA   PRO  71           HA       PRO  71   2.555  -7.573  -5.282
  567    HB2  PRO  71           2HB      PRO  71   4.727  -6.376  -4.069
  568    HB3  PRO  71           1HB      PRO  71   3.102  -6.451  -3.362
  569    HG2  PRO  71           2HG      PRO  71   5.487  -8.136  -2.811
  570    HG3  PRO  71           1HG      PRO  71   4.258  -7.515  -1.694
  571    HD2  PRO  71           2HD      PRO  71   4.256 -10.089  -2.546
  572    HD3  PRO  71           1HD      PRO  71   2.755  -9.208  -2.186
  573    H    ALA  72           H        ALA  72   5.418  -9.597  -5.192
  574    HA   ALA  72           HA       ALA  72   7.120  -8.112  -6.903
  575    HB1  ALA  72           1HB      ALA  72   6.780 -11.122  -6.725
  576    HB2  ALA  72           2HB      ALA  72   7.863 -10.145  -5.735
  577    HB3  ALA  72           3HB      ALA  72   8.149 -10.294  -7.468
  578    H    LYS  73           H        LYS  73   4.643 -10.549  -7.738
  579    HA   LYS  73           HA       LYS  73   4.985 -10.354 -10.570
  580    HB2  LYS  73           2HB      LYS  73   2.533 -11.077  -8.936
  581    HB3  LYS  73           1HB      LYS  73   2.685 -11.322 -10.677
  582    HG2  LYS  73           2HG      LYS  73   4.700 -12.737 -10.262
  583    HG3  LYS  73           1HG      LYS  73   4.421 -12.569  -8.529
  584    HD2  LYS  73           2HD      LYS  73   2.145 -13.550  -8.840
  585    HD3  LYS  73           1HD      LYS  73   2.531 -13.820 -10.540
  586    HE2  LYS  73           2HE      LYS  73   3.945 -15.021  -8.144
  587    HE3  LYS  73           1HE      LYS  73   2.967 -15.878  -9.336
  588    HZ1  LYS  73           3HZ      LYS  73   5.243 -16.175  -9.898
  589    HZ2  LYS  73           1HZ      LYS  73   5.560 -14.513  -9.792
  590    HZ3  LYS  73           2HZ      LYS  73   4.577 -15.110 -11.042
  591    H    TYR  74           H        TYR  74   3.151  -8.446  -8.256
  592    HA   TYR  74           HA       TYR  74   1.437  -7.041 -10.015
  593    HB2  TYR  74           2HB      TYR  74   1.615  -6.994  -7.423
  594    HB3  TYR  74           1HB      TYR  74   2.811  -5.725  -7.676
  595    HD1  TYR  74           1HD      TYR  74   2.112  -3.695  -9.121
  596    HD2  TYR  74           2HD      TYR  74  -0.682  -6.508  -7.480
  597    HE1  TYR  74           1HE      TYR  74   0.301  -2.028  -9.361
  598    HE2  TYR  74           2HE      TYR  74  -2.501  -4.842  -7.729
  599    HH   TYR  74           HH       TYR  74  -1.957  -1.613  -8.188
  600    H    ILE  75           H        ILE  75   4.671  -5.999  -8.828
  601    HA   ILE  75           HA       ILE  75   5.095  -4.646 -11.446
  602    HB   ILE  75           HB       ILE  75   6.154  -2.734 -10.009
  603   HG12  ILE  75          2HG1      ILE  75   4.100  -3.848  -8.075
  604   HG13  ILE  75          1HG1      ILE  75   5.844  -3.957  -7.861
  605   HG21  ILE  75          1HG2      ILE  75   4.439  -1.812 -11.161
  606   HG22  ILE  75          2HG2      ILE  75   3.515  -1.992  -9.672
  607   HG23  ILE  75          3HG2      ILE  75   3.408  -3.220 -10.929
  608   HD11  ILE  75          3HD1      ILE  75   4.354  -1.345  -8.197
  609   HD12  ILE  75          1HD1      ILE  75   6.052  -1.553  -7.774
  610   HD13  ILE  75          2HD1      ILE  75   4.795  -2.031  -6.633
  611    HA   PRO  76           HA       PRO  76   8.725  -7.143  -9.871
  612    HB2  PRO  76           2HB      PRO  76   8.959  -7.758 -12.747
  613    HB3  PRO  76           1HB      PRO  76   8.905  -8.861 -11.363
  614    HG2  PRO  76           2HG      PRO  76   6.866  -8.576 -13.111
  615    HG3  PRO  76           1HG      PRO  76   6.639  -9.025 -11.414
  616    HD2  PRO  76           2HD      PRO  76   6.115  -6.412 -12.753
  617    HD3  PRO  76           1HD      PRO  76   5.305  -7.145 -11.352
  618    H    GLY  77           H        GLY  77   8.347  -5.028 -12.683
  619    HA2  GLY  77           2HA      GLY  77  11.124  -4.508 -13.129
  620    HA3  GLY  77           1HA      GLY  77   9.802  -3.471 -13.656
  621    H    THR  78           H        THR  78   8.814  -3.132 -10.858
  622    HA   THR  78           HA       THR  78  10.467  -0.834 -10.206
  623    HB   THR  78           HB       THR  78   8.901  -0.491  -8.356
  624    HG1  THR  78           1HG      THR  78   8.702  -2.704  -7.794
  625   HG21  THR  78          3HG2      THR  78   7.684  -1.366 -10.979
  626   HG22  THR  78          1HG2      THR  78   8.109   0.269 -10.480
  627   HG23  THR  78          2HG2      THR  78   6.757  -0.561  -9.713
  628    H    LYS  79           H        LYS  79  11.493  -0.491  -8.118
  629    HA   LYS  79           HA       LYS  79  12.997  -2.860  -7.252
  630    HB2  LYS  79           2HB      LYS  79  14.316  -1.260  -5.946
  631    HB3  LYS  79           1HB      LYS  79  14.116  -0.664  -7.594
  632    HG2  LYS  79           2HG      LYS  79  12.157   0.696  -6.795
  633    HG3  LYS  79           1HG      LYS  79  12.550   0.203  -5.148
  634    HD2  LYS  79           2HD      LYS  79  14.864   1.142  -5.505
  635    HD3  LYS  79           1HD      LYS  79  14.298   1.795  -7.042
  636    HE2  LYS  79           2HE      LYS  79  13.450   3.578  -5.964
  637    HE3  LYS  79           1HE      LYS  79  12.385   2.509  -5.053
  638    HZ1  LYS  79           3HZ      LYS  79  15.181   2.670  -4.221
  639    HZ2  LYS  79           1HZ      LYS  79  13.782   2.460  -3.285
  640    HZ3  LYS  79           2HZ      LYS  79  14.182   4.001  -3.875
  641    H    MET  80           H        MET  80  10.016  -1.778  -6.497
  642    HA   MET  80           HA       MET  80  10.138  -1.857  -3.588
  643    HB2  MET  80           2HB      MET  80   8.368  -0.597  -4.766
  644    HB3  MET  80           1HB      MET  80   7.755  -2.102  -5.452
  645    HG2  MET  80           2HG      MET  80   7.257  -2.964  -3.229
  646    HG3  MET  80           1HG      MET  80   7.978  -1.540  -2.481
  647    HE1  MET  80           3HE      MET  80   4.719  -3.088  -3.974
  648    HE2  MET  80           1HE      MET  80   3.795  -2.096  -2.837
  649    HE3  MET  80           2HE      MET  80   5.191  -3.012  -2.278
  650    H    ALA  81           H        ALA  81  10.054  -3.646  -2.317
  651    HA   ALA  81           HA       ALA  81   8.976  -6.168  -3.472
  652    HB1  ALA  81           1HB      ALA  81  11.765  -5.633  -2.634
  653    HB2  ALA  81           2HB      ALA  81  11.137  -6.838  -3.759
  654    HB3  ALA  81           3HB      ALA  81  11.066  -7.131  -2.022
  655    H    PHE  82           H        PHE  82   7.187  -6.023  -2.078
  656    HA   PHE  82           HA       PHE  82   7.748  -5.945   0.847
  657    HB2  PHE  82           2HB      PHE  82   6.052  -4.363   0.037
  658    HB3  PHE  82           1HB      PHE  82   5.139  -5.687  -0.679
  659    HD1  PHE  82           2HD      PHE  82   6.242  -4.153   2.505
  660    HD2  PHE  82           1HD      PHE  82   3.812  -7.182   0.671
  661    HE1  PHE  82           2HE      PHE  82   5.086  -4.536   4.666
  662    HE2  PHE  82           1HE      PHE  82   2.655  -7.565   2.831
  663    HZ   PHE  82           HZ       PHE  82   3.292  -6.241   4.829
  664    H    GLY  83           H        GLY  83   7.539  -7.795   2.042
  665    HA2  GLY  83           2HA      GLY  83   7.206 -10.331   0.763
  666    HA3  GLY  83           1HA      GLY  83   7.180 -10.068   2.507
  667    H    GLY  84           H        GLY  84   5.372 -11.467   0.290
  668    HA2  GLY  84           2HA      GLY  84   2.775 -10.242   0.643
  669    HA3  GLY  84           1HA      GLY  84   3.068 -11.868   0.017
  670    H    LEU  85           H        LEU  85   1.115 -10.858   2.111
  671    HA   LEU  85           HA       LEU  85   2.117 -12.252   4.530
  672    HB2  LEU  85           2HB      LEU  85  -0.511 -10.801   4.093
  673    HB3  LEU  85           1HB      LEU  85   0.152 -11.331   5.640
  674    HG   LEU  85           HG       LEU  85   1.369  -9.267   3.780
  675   HD11  LEU  85          1HD1      LEU  85  -0.380  -8.199   4.938
  676   HD12  LEU  85          2HD1      LEU  85   1.027  -7.879   5.953
  677   HD13  LEU  85          3HD1      LEU  85  -0.114  -9.147   6.400
  678   HD21  LEU  85          3HD2      LEU  85   2.863  -9.009   5.932
  679   HD22  LEU  85          1HD2      LEU  85   3.240 -10.272   4.758
  680   HD23  LEU  85          2HD2      LEU  85   2.372 -10.675   6.240
  681    H    LYS  86           H        LYS  86   1.604 -14.342   4.890
  682    HA   LYS  86           HA       LYS  86   0.015 -15.877   3.068
  683    HB2  LYS  86           2HB      LYS  86   0.895 -16.516   5.899
  684    HB3  LYS  86           1HB      LYS  86   0.236 -17.686   4.757
  685    HG2  LYS  86           2HG      LYS  86   2.098 -17.042   3.168
  686    HG3  LYS  86           1HG      LYS  86   2.808 -16.109   4.485
  687    HD2  LYS  86           2HD      LYS  86   2.174 -19.073   4.612
  688    HD3  LYS  86           1HD      LYS  86   3.777 -18.400   4.315
  689    HE2  LYS  86           2HE      LYS  86   2.106 -18.216   6.823
  690    HE3  LYS  86           1HE      LYS  86   3.747 -18.834   6.643
  691    HZ1  LYS  86           3HZ      LYS  86   4.037 -16.732   7.541
  692    HZ2  LYS  86           1HZ      LYS  86   2.814 -16.035   6.595
  693    HZ3  LYS  86           2HZ      LYS  86   4.292 -16.473   5.881
  694    H    LYS  87           H        LYS  87  -0.741 -14.410   6.219
  695    HA   LYS  87           HA       LYS  87  -3.441 -15.574   6.178
  696    HB2  LYS  87           2HB      LYS  87  -2.065 -15.201   8.290
  697    HB3  LYS  87           1HB      LYS  87  -2.375 -13.478   8.081
  698    HG2  LYS  87           2HG      LYS  87  -4.811 -13.919   8.113
  699    HG3  LYS  87           1HG      LYS  87  -4.489 -15.637   8.358
  700    HD2  LYS  87           2HD      LYS  87  -3.188 -14.994  10.434
  701    HD3  LYS  87           1HD      LYS  87  -3.808 -13.355  10.230
  702    HE2  LYS  87           2HE      LYS  87  -6.122 -14.731  10.028
  703    HE3  LYS  87           1HE      LYS  87  -5.226 -15.822  11.084
  704    HZ1  LYS  87           3HZ      LYS  87  -4.832 -14.049  12.613
  705    HZ2  LYS  87           1HZ      LYS  87  -6.497 -14.103  12.288
  706    HZ3  LYS  87           2HZ      LYS  87  -5.529 -12.909  11.562
  707    H    GLU  88           H        GLU  88  -5.042 -14.630   5.040
  708    HA   GLU  88           HA       GLU  88  -4.779 -12.021   3.845
  709    HB2  GLU  88           2HB      GLU  88  -7.199 -13.814   4.201
  710    HB3  GLU  88           1HB      GLU  88  -7.169 -12.362   3.201
  711    HG2  GLU  88           2HG      GLU  88  -5.311 -13.336   1.871
  712    HG3  GLU  88           1HG      GLU  88  -5.414 -14.806   2.840
  713    H    LYS  89           H        LYS  89  -6.326 -13.203   6.795
  714    HA   LYS  89           HA       LYS  89  -7.968 -10.974   7.383
  715    HB2  LYS  89           2HB      LYS  89  -7.835 -13.158   8.666
  716    HB3  LYS  89           1HB      LYS  89  -6.368 -12.541   9.419
  717    HG2  LYS  89           2HG      LYS  89  -7.628 -10.569  10.239
  718    HG3  LYS  89           1HG      LYS  89  -9.103 -11.237   9.535
  719    HD2  LYS  89           2HD      LYS  89  -8.772 -13.289  10.947
  720    HD3  LYS  89           1HD      LYS  89  -7.422 -12.470  11.735
  721    HE2  LYS  89           2HE      LYS  89 -10.311 -12.086  12.101
  722    HE3  LYS  89           1HE      LYS  89  -8.977 -11.673  13.179
  723    HZ1  LYS  89           3HZ      LYS  89  -9.758 -10.126  10.767
  724    HZ2  LYS  89           1HZ      LYS  89  -8.538  -9.715  11.872
  725    HZ3  LYS  89           2HZ      LYS  89 -10.165  -9.711  12.363
  726    H    ASP  90           H        ASP  90  -4.587 -11.560   8.383
  727    HA   ASP  90           HA       ASP  90  -4.216  -9.047   9.669
  728    HB2  ASP  90           2HB      ASP  90  -2.235 -10.869   8.271
  729    HB3  ASP  90           1HB      ASP  90  -1.775  -9.482   9.254
  730    H    ARG  91           H        ARG  91  -3.827 -10.051   6.297
  731    HA   ARG  91           HA       ARG  91  -2.585  -7.712   5.287
  732    HB2  ARG  91           2HB      ARG  91  -2.953  -9.837   4.013
  733    HB3  ARG  91           1HB      ARG  91  -4.663  -9.422   3.889
  734    HG2  ARG  91           2HG      ARG  91  -4.043  -7.306   2.744
  735    HG3  ARG  91           1HG      ARG  91  -2.347  -7.787   2.812
  736    HD2  ARG  91           2HD      ARG  91  -3.149  -8.424   0.641
  737    HD3  ARG  91           1HD      ARG  91  -3.015  -9.907   1.585
  738    HE   ARG  91           HE       ARG  91  -5.662  -8.607   1.607
  739   HH11  ARG  91          1HH2      ARG  91  -3.521 -10.989   0.316
  740   HH12  ARG  91          2HH2      ARG  91  -4.796 -11.987  -0.298
  741   HH21  ARG  91          1HH1      ARG  91  -7.330  -9.899   0.809
  742   HH22  ARG  91          2HH1      ARG  91  -6.949 -11.371  -0.021
  743    H    ASN  92           H        ASN  92  -6.040  -8.445   5.783
  744    HA   ASN  92           HA       ASN  92  -7.081  -6.081   4.602
  745    HB2  ASN  92           2HB      ASN  92  -8.118  -7.791   6.877
  746    HB3  ASN  92           1HB      ASN  92  -9.046  -6.498   6.122
  747   HD21  ASN  92          1HD2      ASN  92  -8.883  -6.734   3.499
  748   HD22  ASN  92          2HD2      ASN  92  -9.227  -8.298   2.937
  749    H    ASP  93           H        ASP  93  -5.896  -6.705   7.897
  750    HA   ASP  93           HA       ASP  93  -6.725  -4.228   9.030
  751    HB2  ASP  93           2HB      ASP  93  -4.378  -6.026   9.701
  752    HB3  ASP  93           1HB      ASP  93  -4.932  -4.691  10.709
  753    H    LEU  94           H        LEU  94  -3.735  -5.154   7.319
  754    HA   LEU  94           HA       LEU  94  -2.280  -2.769   7.775
  755    HB2  LEU  94           2HB      LEU  94  -1.439  -4.893   6.681
  756    HB3  LEU  94           1HB      LEU  94  -2.233  -4.366   5.200
  757    HG   LEU  94           HG       LEU  94  -0.268  -2.615   6.695
  758   HD11  LEU  94          1HD1      LEU  94   1.404  -3.948   6.019
  759   HD12  LEU  94          2HD1      LEU  94   0.937  -3.620   4.351
  760   HD13  LEU  94          3HD1      LEU  94   0.271  -5.017   5.193
  761   HD21  LEU  94          3HD2      LEU  94  -1.807  -2.440   4.174
  762   HD22  LEU  94          1HD2      LEU  94  -0.105  -2.013   4.027
  763   HD23  LEU  94          2HD2      LEU  94  -1.131  -1.157   5.175
  764    H    ILE  95           H        ILE  95  -4.588  -3.536   5.147
  765    HA   ILE  95           HA       ILE  95  -4.310  -1.021   3.807
  766    HB   ILE  95           HB       ILE  95  -6.762  -2.792   3.940
  767   HG12  ILE  95          2HG1      ILE  95  -4.492  -2.796   1.927
  768   HG13  ILE  95          1HG1      ILE  95  -4.650  -3.967   3.236
  769   HG21  ILE  95          1HG2      ILE  95  -7.680  -1.411   2.403
  770   HG22  ILE  95          2HG2      ILE  95  -6.196  -1.386   1.449
  771   HG23  ILE  95          3HG2      ILE  95  -6.398  -0.266   2.798
  772   HD11  ILE  95          3HD1      ILE  95  -5.708  -4.317   0.742
  773   HD12  ILE  95          1HD1      ILE  95  -7.082  -3.613   1.593
  774   HD13  ILE  95          2HD1      ILE  95  -6.335  -5.092   2.196
  775    H    THR  96           H        THR  96  -6.436  -2.126   6.412
  776    HA   THR  96           HA       THR  96  -8.064   0.177   6.632
  777    HB   THR  96           HB       THR  96  -7.106  -1.570   8.916
  778    HG1  THR  96           1HG      THR  96  -9.507  -1.999   7.572
  779   HG21  THR  96          3HG2      THR  96  -8.800  -0.664  10.152
  780   HG22  THR  96          1HG2      THR  96  -9.864  -0.494   8.757
  781   HG23  THR  96          2HG2      THR  96  -8.592   0.693   9.046
  782    H    TYR  97           H        TYR  97  -4.852  -0.534   8.015
  783    HA   TYR  97           HA       TYR  97  -4.673   1.745   9.704
  784    HB2  TYR  97           2HB      TYR  97  -3.014  -0.114   9.692
  785    HB3  TYR  97           1HB      TYR  97  -2.430   0.445   8.124
  786    HD1  TYR  97           1HD      TYR  97  -2.795   1.366  11.704
  787    HD2  TYR  97           2HD      TYR  97  -0.990   2.348   7.931
  788    HE1  TYR  97           1HE      TYR  97  -1.323   3.009  12.836
  789    HE2  TYR  97           2HE      TYR  97   0.481   3.991   9.064
  790    HH   TYR  97           HH       TYR  97   0.055   5.376  11.631
  791    H    LEU  98           H        LEU  98  -3.666   1.351   6.287
  792    HA   LEU  98           HA       LEU  98  -2.961   4.129   5.956
  793    HB2  LEU  98           2HB      LEU  98  -3.781   2.035   3.918
  794    HB3  LEU  98           1HB      LEU  98  -3.113   3.616   3.513
  795    HG   LEU  98           HG       LEU  98  -1.722   1.510   5.194
  796   HD11  LEU  98          1HD1      LEU  98  -1.945   1.901   2.338
  797   HD12  LEU  98          2HD1      LEU  98  -1.101   0.625   3.216
  798   HD13  LEU  98          3HD1      LEU  98  -0.275   2.141   2.852
  799   HD21  LEU  98          3HD2      LEU  98   0.189   3.270   4.423
  800   HD22  LEU  98          1HD2      LEU  98  -0.696   3.425   5.939
  801   HD23  LEU  98          2HD2      LEU  98  -1.193   4.360   4.528
  802    H    LYS  99           H        LYS  99  -5.916   2.266   5.639
  803    HA   LYS  99           HA       LYS  99  -7.534   4.120   4.255
  804    HB2  LYS  99           2HB      LYS  99  -8.152   1.752   4.965
  805    HB3  LYS  99           1HB      LYS  99  -8.445   2.402   6.577
  806    HG2  LYS  99           2HG      LYS  99 -10.056   4.031   5.559
  807    HG3  LYS  99           1HG      LYS  99  -9.856   3.186   4.024
  808    HD2  LYS  99           2HD      LYS  99 -10.615   1.086   5.081
  809    HD3  LYS  99           1HD      LYS  99 -10.843   1.943   6.608
  810    HE2  LYS  99           2HE      LYS  99 -12.166   3.098   4.202
  811    HE3  LYS  99           1HE      LYS  99 -12.846   1.605   4.848
  812    HZ1  LYS  99           3HZ      LYS  99 -13.933   3.077   6.152
  813    HZ2  LYS  99           1HZ      LYS  99 -12.727   4.263   6.038
  814    HZ3  LYS  99           2HZ      LYS  99 -12.522   2.946   7.090
  815    H    LYS 100           H        LYS 100  -6.783   3.858   7.723
  816    HA   LYS 100           HA       LYS 100  -8.472   5.958   8.641
  817    HB2  LYS 100           2HB      LYS 100  -7.289   4.330  10.114
  818    HB3  LYS 100           1HB      LYS 100  -5.766   5.134   9.731
  819    HG2  LYS 100           2HG      LYS 100  -6.716   7.267  10.618
  820    HG3  LYS 100           1HG      LYS 100  -8.163   6.379  11.105
  821    HD2  LYS 100           2HD      LYS 100  -6.675   4.847  12.440
  822    HD3  LYS 100           1HD      LYS 100  -5.334   5.935  12.084
  823    HE2  LYS 100           2HE      LYS 100  -6.042   6.822  14.105
  824    HE3  LYS 100           1HE      LYS 100  -7.026   7.771  12.989
  825    HZ1  LYS 100           3HZ      LYS 100  -8.587   5.662  13.304
  826    HZ2  LYS 100           1HZ      LYS 100  -8.669   7.022  14.314
  827    HZ3  LYS 100           2HZ      LYS 100  -7.810   5.645  14.814
  828    H    ALA 101           H        ALA 101  -5.154   5.981   7.404
  829    HA   ALA 101           HA       ALA 101  -4.540   8.700   7.928
  830    HB1  ALA 101           1HB      ALA 101  -3.215   6.622   6.747
  831    HB2  ALA 101           2HB      ALA 101  -2.655   8.294   6.710
  832    HB3  ALA 101           3HB      ALA 101  -3.561   7.638   5.348
  833    H    THR 102           H        THR 102  -6.491   7.237   5.387
  834    HA   THR 102           HA       THR 102  -6.602   9.542   3.671
  835    HB   THR 102           HB       THR 102  -8.492   8.447   2.620
  836    HG1  THR 102           1HG      THR 102  -9.809   7.676   4.081
  837   HG21  THR 102          3HG2      THR 102  -7.554   6.081   2.426
  838   HG22  THR 102          1HG2      THR 102  -6.349   6.565   3.620
  839   HG23  THR 102          2HG2      THR 102  -6.428   7.389   2.062
  840    H    GLU 103           H        GLU 103  -8.254   8.669   6.623
  841    HA   GLU 103           HA       GLU 103 -10.204  10.869   6.275
  842    HB2  GLU 103           2HB      GLU 103 -10.940   8.657   7.195
  843    HB3  GLU 103           1HB      GLU 103  -9.892   8.933   8.588
  844    HG2  GLU 103           2HG      GLU 103 -11.130  11.048   9.055
  845    HG3  GLU 103           1HG      GLU 103 -12.223  10.671   7.725
  846    HHA  HEC 201           HA       HEC 104   4.648   3.286  -5.931
  847    HHB  HEC 201           HB       HEC 104   1.213   0.109  -1.685
  848    HHC  HEC 201           HC       HEC 104   6.453  -1.141   1.614
  849    HHD  HEC 201           HD       HEC 104   9.923   1.809  -2.787
  850   HMA1  HEC 201          1HMA      HEC 104  -0.008   1.799  -2.623
  851   HMA2  HEC 201          2HMA      HEC 104  -0.233   0.819  -4.070
  852   HMA3  HEC 201          3HMA      HEC 104  -0.143   2.575  -4.200
  853   HAA1  HEC 201          1HAA      HEC 104   2.454   1.925  -6.885
  854   HAA2  HEC 201          2HAA      HEC 104   0.911   2.436  -6.223
  855   HBA1  HEC 201          1HBA      HEC 104   2.986   4.048  -7.374
  856   HBA2  HEC 201          2HBA      HEC 104   2.746   4.529  -5.695
  857   HMB1  HEC 201          1HMB      HEC 104   1.804  -2.845   0.570
  858   HMB2  HEC 201          2HMB      HEC 104   0.851  -1.469   1.126
  859   HMB3  HEC 201          3HMB      HEC 104   0.999  -1.807  -0.595
  860    HAB  HEC 201           HAB      HEC 104   4.565  -2.154   2.750
  861   HBB1  HEC 201          1HBB      HEC 104   2.099  -2.496   2.739
  862   HBB2  HEC 201          2HBB      HEC 104   1.877  -0.767   3.001
  863   HBB3  HEC 201          3HBB      HEC 104   2.650  -1.760   4.233
  864   HMC1  HEC 201          1HMC      HEC 104   8.928  -2.278   0.976
  865   HMC2  HEC 201          2HMC      HEC 104   8.798  -1.128   2.308
  866   HMC3  HEC 201          3HMC      HEC 104  10.285  -1.219   1.362
  867    HAC  HEC 201           HAC      HEC 104  10.991   1.811  -0.840
  868   HBC1  HEC 201          1HBC      HEC 104  11.370  -1.030  -0.952
  869   HBC2  HEC 201          2HBC      HEC 104  12.516   0.244  -1.370
  870   HBC3  HEC 201          3HBC      HEC 104  12.436  -0.363   0.284
  871   HMD1  HEC 201          1HMD      HEC 104  10.383   3.574  -4.828
  872   HMD2  HEC 201          2HMD      HEC 104   9.698   3.119  -6.386
  873   HMD3  HEC 201          3HMD      HEC 104  10.203   1.870  -5.247
  874   HAD1  HEC 201          1HAD      HEC 104   8.067   4.889  -6.407
  875   HAD2  HEC 201          2HAD      HEC 104   6.327   4.932  -6.183
  876   HBD1  HEC 201          1HBD      HEC 104   7.908   3.308  -8.167
  877   HBD2  HEC 201          2HBD      HEC 104   6.238   2.909  -7.764
  Start of MODEL    3
    1    H1   THR  -5           1HT      THR  -5 -19.550  -6.903   3.740
    2    H2   THR  -5           2HT      THR  -5 -19.817  -8.324   2.846
    3    H3   THR  -5           3HT      THR  -5 -20.953  -7.062   2.799
    4    HA   THR  -5           HA       THR  -5 -19.729  -6.980   0.779
    5    HB   THR  -5           HB       THR  -5 -19.330  -4.725   0.841
    6    HG1  THR  -5           1HG      THR  -5 -17.298  -5.268   2.035
    7   HG21  THR  -5          1HG2      THR  -5 -21.273  -5.322   2.456
    8   HG22  THR  -5          2HG2      THR  -5 -20.617  -3.686   2.513
    9   HG23  THR  -5          3HG2      THR  -5 -20.149  -4.868   3.736
   10    H    GLU  -4           H        GLU  -4 -17.449  -6.381  -0.114
   11    HA   GLU  -4           HA       GLU  -4 -15.625  -8.455   0.601
   12    HB2  GLU  -4           2HB      GLU  -4 -15.145  -5.866  -0.906
   13    HB3  GLU  -4           1HB      GLU  -4 -14.003  -7.208  -0.833
   14    HG2  GLU  -4           2HG      GLU  -4 -15.726  -8.700  -1.821
   15    HG3  GLU  -4           1HG      GLU  -4 -16.819  -7.321  -1.953
   16    H    PHE  -3           H        PHE  -3 -15.889  -5.086   1.632
   17    HA   PHE  -3           HA       PHE  -3 -13.486  -5.460   3.358
   18    HB2  PHE  -3           2HB      PHE  -3 -13.562  -3.443   1.889
   19    HB3  PHE  -3           1HB      PHE  -3 -15.014  -2.914   2.739
   20    HD1  PHE  -3           2HD      PHE  -3 -11.389  -3.602   3.096
   21    HD2  PHE  -3           1HD      PHE  -3 -14.908  -1.993   4.961
   22    HE1  PHE  -3           2HE      PHE  -3  -9.986  -2.603   4.881
   23    HE2  PHE  -3           1HE      PHE  -3 -13.505  -0.993   6.746
   24    HZ   PHE  -3           HZ       PHE  -3 -11.045  -1.299   6.706
   25    H    LYS  -2           H        LYS  -2 -13.717  -5.568   5.556
   26    HA   LYS  -2           HA       LYS  -2 -16.391  -4.902   6.713
   27    HB2  LYS  -2           2HB      LYS  -2 -16.247  -6.880   8.149
   28    HB3  LYS  -2           1HB      LYS  -2 -16.142  -7.371   6.459
   29    HG2  LYS  -2           2HG      LYS  -2 -13.664  -7.422   6.647
   30    HG3  LYS  -2           1HG      LYS  -2 -13.802  -7.003   8.356
   31    HD2  LYS  -2           2HD      LYS  -2 -13.556  -9.409   8.188
   32    HD3  LYS  -2           1HD      LYS  -2 -15.212  -9.056   8.682
   33    HE2  LYS  -2           2HE      LYS  -2 -16.102  -9.651   6.621
   34    HE3  LYS  -2           1HE      LYS  -2 -14.608  -9.294   5.756
   35    HZ1  LYS  -2           3HZ      LYS  -2 -15.418 -11.757   6.418
   36    HZ2  LYS  -2           1HZ      LYS  -2 -14.404 -11.397   7.729
   37    HZ3  LYS  -2           2HZ      LYS  -2 -13.798 -11.329   6.143
   38    H    ALA  -1           H        ALA  -1 -16.235  -4.535   9.119
   39    HA   ALA  -1           HA       ALA  -1 -14.464  -2.557   9.855
   40    HB1  ALA  -1           1HB      ALA  -1 -16.123  -2.946  11.446
   41    HB2  ALA  -1           2HB      ALA  -1 -14.704  -3.608  12.257
   42    HB3  ALA  -1           3HB      ALA  -1 -15.845  -4.687  11.455
   43    H    GLY   1           H        GLY   1 -12.320  -2.794   9.236
   44    HA2  GLY   1           2HA      GLY   1 -10.793  -5.201   9.599
   45    HA3  GLY   1           1HA      GLY   1 -10.115  -3.603   9.289
   46    H    SER   2           H        SER   2  -9.646  -5.914  11.362
   47    HA   SER   2           HA       SER   2 -10.164  -4.795  13.951
   48    HB2  SER   2           2HB      SER   2  -8.612  -6.456  14.783
   49    HB3  SER   2           1HB      SER   2  -9.551  -7.195  13.488
   50    HG   SER   2           HG       SER   2  -6.999  -5.983  13.177
   51    H    ALA   3           H        ALA   3  -7.808  -4.088  11.521
   52    HA   ALA   3           HA       ALA   3  -5.959  -2.637  11.513
   53    HB1  ALA   3           1HB      ALA   3  -6.320  -0.546  12.601
   54    HB2  ALA   3           2HB      ALA   3  -7.349  -1.280  13.831
   55    HB3  ALA   3           3HB      ALA   3  -7.927  -1.129  12.172
   56    H    LYS   4           H        LYS   4  -5.230  -1.214  14.133
   57    HA   LYS   4           HA       LYS   4  -3.647  -1.577  15.826
   58    HB2  LYS   4           2HB      LYS   4  -5.621  -2.804  16.775
   59    HB3  LYS   4           1HB      LYS   4  -5.001  -4.280  16.035
   60    HG2  LYS   4           2HG      LYS   4  -2.884  -4.005  17.305
   61    HG3  LYS   4           1HG      LYS   4  -3.557  -2.572  18.084
   62    HD2  LYS   4           2HD      LYS   4  -5.443  -3.989  18.936
   63    HD3  LYS   4           1HD      LYS   4  -4.620  -5.405  18.278
   64    HE2  LYS   4           2HE      LYS   4  -3.417  -3.498  20.307
   65    HE3  LYS   4           1HE      LYS   4  -4.126  -5.065  20.697
   66    HZ1  LYS   4           3HZ      LYS   4  -1.531  -4.583  19.957
   67    HZ2  LYS   4           1HZ      LYS   4  -2.239  -5.264  18.574
   68    HZ3  LYS   4           2HZ      LYS   4  -2.290  -6.100  20.052
   69    H    LYS   5           H        LYS   5  -3.887  -4.981  14.813
   70    HA   LYS   5           HA       LYS   5  -1.078  -5.370  14.734
   71    HB2  LYS   5           2HB      LYS   5  -3.273  -6.844  13.248
   72    HB3  LYS   5           1HB      LYS   5  -1.610  -7.412  13.396
   73    HG2  LYS   5           2HG      LYS   5  -1.853  -7.349  15.883
   74    HG3  LYS   5           1HG      LYS   5  -3.551  -6.913  15.672
   75    HD2  LYS   5           2HD      LYS   5  -3.880  -9.010  14.352
   76    HD3  LYS   5           1HD      LYS   5  -2.212  -9.458  14.709
   77    HE2  LYS   5           2HE      LYS   5  -3.633  -8.691  17.126
   78    HE3  LYS   5           1HE      LYS   5  -4.451 -10.013  16.294
   79    HZ1  LYS   5           3HZ      LYS   5  -1.777 -10.614  16.158
   80    HZ2  LYS   5           1HZ      LYS   5  -2.929 -11.344  17.167
   81    HZ3  LYS   5           2HZ      LYS   5  -2.004 -10.039  17.740
   82    H    GLY   6           H        GLY   6  -3.348  -4.620  12.069
   83    HA2  GLY   6           2HA      GLY   6  -1.407  -4.656   9.985
   84    HA3  GLY   6           1HA      GLY   6  -2.912  -3.740   9.938
   85    H    ALA   7           H        ALA   7  -2.274  -2.179  12.344
   86    HA   ALA   7           HA       ALA   7  -0.961   0.030  11.116
   87    HB1  ALA   7           1HB      ALA   7  -2.501   0.028  13.172
   88    HB2  ALA   7           2HB      ALA   7  -1.107   1.106  13.231
   89    HB3  ALA   7           3HB      ALA   7  -1.074  -0.429  14.099
   90    H    THR   8           H        THR   8   0.263  -2.387  13.437
   91    HA   THR   8           HA       THR   8   2.931  -1.265  13.480
   92    HB   THR   8           HB       THR   8   3.531  -3.293  14.687
   93    HG1  THR   8           1HG      THR   8   2.438  -4.785  13.403
   94   HG21  THR   8          3HG2      THR   8   2.282  -1.651  15.970
   95   HG22  THR   8          1HG2      THR   8   1.760  -3.265  16.451
   96   HG23  THR   8          2HG2      THR   8   0.755  -2.298  15.371
   97    H    LEU   9           H        LEU   9   1.298  -3.765  11.570
   98    HA   LEU   9           HA       LEU   9   3.579  -4.914  10.331
   99    HB2  LEU   9           2HB      LEU   9   1.199  -5.721  10.073
  100    HB3  LEU   9           1HB      LEU   9   0.909  -4.353   9.000
  101    HG   LEU   9           HG       LEU   9   3.078  -5.284   7.781
  102   HD11  LEU   9          1HD1      LEU   9   1.883  -7.852   8.816
  103   HD12  LEU   9          2HD1      LEU   9   3.226  -7.069   9.651
  104   HD13  LEU   9          3HD1      LEU   9   3.420  -7.611   7.984
  105   HD21  LEU   9          3HD2      LEU   9   0.760  -5.080   6.842
  106   HD22  LEU   9          1HD2      LEU   9   0.389  -6.667   7.516
  107   HD23  LEU   9          2HD2      LEU   9   1.619  -6.506   6.263
  108    H    PHE  10           H        PHE  10   1.712  -2.014   9.584
  109    HA   PHE  10           HA       PHE  10   3.082  -1.271   7.186
  110    HB2  PHE  10           2HB      PHE  10   0.930  -0.273   8.027
  111    HB3  PHE  10           1HB      PHE  10   1.851   0.550   9.280
  112    HD1  PHE  10           2HD      PHE  10   1.272   0.293   5.633
  113    HD2  PHE  10           1HD      PHE  10   3.221   2.461   8.787
  114    HE1  PHE  10           2HE      PHE  10   1.807   2.123   4.046
  115    HE2  PHE  10           1HE      PHE  10   3.748   4.289   7.199
  116    HZ   PHE  10           HZ       PHE  10   3.051   4.116   4.831
  117    H    LYS  11           H        LYS  11   3.572  -0.373  10.588
  118    HA   LYS  11           HA       LYS  11   5.853   1.295  10.192
  119    HB2  LYS  11           2HB      LYS  11   4.425   1.085  12.296
  120    HB3  LYS  11           1HB      LYS  11   5.297  -0.411  12.629
  121    HG2  LYS  11           2HG      LYS  11   7.441   0.832  12.562
  122    HG3  LYS  11           1HG      LYS  11   6.550   2.331  12.290
  123    HD2  LYS  11           2HD      LYS  11   5.316   1.912  14.438
  124    HD3  LYS  11           1HD      LYS  11   6.384   0.537  14.728
  125    HE2  LYS  11           2HE      LYS  11   8.302   1.920  14.904
  126    HE3  LYS  11           1HE      LYS  11   7.478   3.295  14.173
  127    HZ1  LYS  11           3HZ      LYS  11   5.900   2.866  16.247
  128    HZ2  LYS  11           1HZ      LYS  11   7.251   3.889  16.322
  129    HZ3  LYS  11           2HZ      LYS  11   7.360   2.295  16.904
  130    H    THR  12           H        THR  12   5.525  -2.184  10.744
  131    HA   THR  12           HA       THR  12   8.328  -2.701  11.084
  132    HB   THR  12           HB       THR  12   7.732  -5.044  10.813
  133    HG1  THR  12           1HG      THR  12   5.169  -4.136  10.033
  134   HG21  THR  12          3HG2      THR  12   6.349  -3.199  12.553
  135   HG22  THR  12          1HG2      THR  12   6.908  -4.837  12.893
  136   HG23  THR  12          2HG2      THR  12   5.314  -4.578  12.185
  137    H    ARG  13           H        ARG  13   6.273  -2.604   8.171
  138    HA   ARG  13           HA       ARG  13   8.760  -2.615   6.575
  139    HB2  ARG  13           2HB      ARG  13   6.559  -4.663   6.215
  140    HB3  ARG  13           1HB      ARG  13   7.857  -4.389   5.056
  141    HG2  ARG  13           2HG      ARG  13   9.508  -4.868   6.891
  142    HG3  ARG  13           1HG      ARG  13   8.151  -5.311   7.928
  143    HD2  ARG  13           2HD      ARG  13   7.464  -6.990   6.176
  144    HD3  ARG  13           1HD      ARG  13   8.974  -6.640   5.334
  145    HE   ARG  13           HE       ARG  13   8.701  -8.250   7.736
  146   HH11  ARG  13          1HH2      ARG  13  10.698  -6.076   5.953
  147   HH12  ARG  13          2HH2      ARG  13  12.178  -6.685   6.612
  148   HH21  ARG  13          1HH1      ARG  13  10.624  -9.055   8.608
  149   HH22  ARG  13          2HH1      ARG  13  12.137  -8.371   8.116
  150    H    CYS  14           H        CYS  14   7.401  -0.344   6.698
  151    HA   CYS  14           HA       CYS  14   6.474   0.041   4.000
  152    HB2  CYS  14           2HB      CYS  14   4.498  -1.097   5.318
  153    HB3  CYS  14           1HB      CYS  14   4.269   0.525   5.967
  154    H    LEU  15           H        LEU  15   6.073   1.374   7.295
  155    HA   LEU  15           HA       LEU  15   5.905   4.095   6.536
  156    HB2  LEU  15           2HB      LEU  15   5.480   3.237   8.839
  157    HB3  LEU  15           1HB      LEU  15   7.210   2.974   9.034
  158    HG   LEU  15           HG       LEU  15   7.455   5.486   8.423
  159   HD11  LEU  15          1HD1      LEU  15   5.235   5.966   7.631
  160   HD12  LEU  15          2HD1      LEU  15   5.419   6.797   9.173
  161   HD13  LEU  15          3HD1      LEU  15   4.509   5.290   9.090
  162   HD21  LEU  15          3HD2      LEU  15   6.410   5.922  10.916
  163   HD22  LEU  15          1HD2      LEU  15   8.006   5.232  10.615
  164   HD23  LEU  15          2HD2      LEU  15   6.630   4.172  10.932
  165    H    GLN  16           H        GLN  16   8.752   2.046   7.050
  166    HA   GLN  16           HA       GLN  16  10.729   4.077   6.969
  167    HB2  GLN  16           2HB      GLN  16  10.845   1.226   5.940
  168    HB3  GLN  16           1HB      GLN  16  12.251   2.269   6.163
  169    HG2  GLN  16           2HG      GLN  16  11.740   2.476   8.558
  170    HG3  GLN  16           1HG      GLN  16  10.308   1.469   8.348
  171   HE21  GLN  16          1HE2      GLN  16  12.401   0.665  10.117
  172   HE22  GLN  16          2HE2      GLN  16  13.160  -0.707   9.468
  173    H    CYS  17           H        CYS  17   9.002   2.437   4.344
  174    HA   CYS  17           HA       CYS  17  10.586   3.946   2.342
  175    HB2  CYS  17           2HB      CYS  17   8.447   1.822   2.055
  176    HB3  CYS  17           1HB      CYS  17   9.259   2.604   0.699
  177    H    HIS  18           H        HIS  18   7.206   3.624   3.437
  178    HA   HIS  18           HA       HIS  18   6.533   6.010   1.771
  179    HB2  HIS  18           2HB      HIS  18   4.840   3.798   2.960
  180    HB3  HIS  18           1HB      HIS  18   4.146   5.255   2.242
  181    HD1  HIS  18           1HD      HIS  18   4.944   5.693  -0.359
  182    HD2  HIS  18           2HD      HIS  18   5.444   1.842   1.141
  183    HE1  HIS  18           1HE      HIS  18   5.200   4.166  -2.375
  184    H    THR  19           H        THR  19   6.206   7.909   2.807
  185    HA   THR  19           HA       THR  19   6.126   7.954   5.754
  186    HB   THR  19           HB       THR  19   6.359  10.366   5.521
  187    HG1  THR  19           1HG      THR  19   5.633   9.761   2.881
  188   HG21  THR  19          3HG2      THR  19   8.509  10.414   4.582
  189   HG22  THR  19          1HG2      THR  19   8.092   9.235   3.336
  190   HG23  THR  19          2HG2      THR  19   8.306   8.714   5.008
  191    H    VAL  20           H        VAL  20   3.956   8.329   3.045
  192    HA   VAL  20           HA       VAL  20   1.623   8.568   2.984
  193    HB   VAL  20           HB       VAL  20   1.553   8.240   5.974
  194   HG11  VAL  20          1HG1      VAL  20  -0.454   8.565   4.276
  195   HG12  VAL  20          2HG1      VAL  20  -0.582   7.404   5.597
  196   HG13  VAL  20          3HG1      VAL  20  -0.189   6.848   3.971
  197   HG21  VAL  20          3HG2      VAL  20   1.431   5.689   5.189
  198   HG22  VAL  20          1HG2      VAL  20   2.969   6.455   5.590
  199   HG23  VAL  20          2HG2      VAL  20   2.478   6.293   3.905
  200    H    GLU  21           H        GLU  21   3.670  10.681   4.518
  201    HA   GLU  21           HA       GLU  21   1.506  12.501   5.426
  202    HB2  GLU  21           2HB      GLU  21   4.526  12.761   5.580
  203    HB3  GLU  21           1HB      GLU  21   3.375  13.915   6.254
  204    HG2  GLU  21           2HG      GLU  21   2.420  12.103   7.665
  205    HG3  GLU  21           1HG      GLU  21   3.643  10.998   7.035
  206    H    LYS  22           H        LYS  22   0.685  13.921   3.981
  207    HA   LYS  22           HA       LYS  22   1.873  14.342   1.386
  208    HB2  LYS  22           2HB      LYS  22   0.059  15.899   1.009
  209    HB3  LYS  22           1HB      LYS  22  -0.588  14.523   1.903
  210    HG2  LYS  22           2HG      LYS  22  -0.263  15.825   4.025
  211    HG3  LYS  22           1HG      LYS  22   0.201  17.218   3.046
  212    HD2  LYS  22           2HD      LYS  22  -2.022  16.940   1.827
  213    HD3  LYS  22           1HD      LYS  22  -2.474  15.811   3.104
  214    HE2  LYS  22           2HE      LYS  22  -3.315  17.944   3.786
  215    HE3  LYS  22           1HE      LYS  22  -1.878  17.650   4.767
  216    HZ1  LYS  22           3HZ      LYS  22  -2.288  19.555   2.592
  217    HZ2  LYS  22           1HZ      LYS  22  -0.749  18.859   2.735
  218    HZ3  LYS  22           2HZ      LYS  22  -1.411  19.727   4.035
  219    H    GLY  23           H        GLY  23   1.781  16.246   4.384
  220    HA2  GLY  23           2HA      GLY  23   2.983  18.614   3.372
  221    HA3  GLY  23           1HA      GLY  23   3.082  18.083   5.050
  222    H    GLY  24           H        GLY  24   4.405  15.584   4.514
  223    HA2  GLY  24           2HA      GLY  24   7.136  16.578   4.307
  224    HA3  GLY  24           1HA      GLY  24   6.667  14.900   4.578
  225    HA   PRO  25           HA       PRO  25   7.762  15.785  -0.001
  226    HB2  PRO  25           2HB      PRO  25  10.401  15.129  -0.061
  227    HB3  PRO  25           1HB      PRO  25   9.835  16.777   0.278
  228    HG2  PRO  25           2HG      PRO  25  10.756  14.667   2.170
  229    HG3  PRO  25           1HG      PRO  25  11.091  16.405   2.169
  230    HD2  PRO  25           2HD      PRO  25   9.212  15.259   3.796
  231    HD3  PRO  25           1HD      PRO  25   9.094  16.932   3.210
  232    H    HIS  26           H        HIS  26   9.542  13.942  -1.179
  233    HA   HIS  26           HA       HIS  26   8.215  11.369  -0.458
  234    HB2  HIS  26           2HB      HIS  26   9.626  12.220  -3.007
  235    HB3  HIS  26           1HB      HIS  26   8.887  10.641  -2.739
  236    HD1  HIS  26           1HD      HIS  26   6.264  10.566  -2.545
  237    HD2  HIS  26           2HD      HIS  26   7.804  14.308  -3.562
  238    HE1  HIS  26           1HE      HIS  26   4.307  11.944  -3.383
  239    HE2  HIS  26           2HE      HIS  26   5.234  14.225  -3.995
  240    H    LYS  27           H        LYS  27   9.461   9.675   0.270
  241    HA   LYS  27           HA       LYS  27  12.386  10.196   0.521
  242    HB2  LYS  27           2HB      LYS  27  10.895   9.606   2.541
  243    HB3  LYS  27           1HB      LYS  27  10.839   7.976   1.870
  244    HG2  LYS  27           2HG      LYS  27  13.328   7.903   1.899
  245    HG3  LYS  27           1HG      LYS  27  13.345   9.504   2.637
  246    HD2  LYS  27           2HD      LYS  27  11.963   8.588   4.520
  247    HD3  LYS  27           1HD      LYS  27  12.141   6.983   3.811
  248    HE2  LYS  27           2HE      LYS  27  14.738   7.784   3.850
  249    HE3  LYS  27           1HE      LYS  27  14.123   8.633   5.268
  250    HZ1  LYS  27           3HZ      LYS  27  14.718   5.900   4.983
  251    HZ2  LYS  27           1HZ      LYS  27  13.061   6.062   5.307
  252    HZ3  LYS  27           2HZ      LYS  27  14.203   6.734   6.370
  253    H    VAL  28           H        VAL  28  12.090   6.999   0.999
  254    HA   VAL  28           HA       VAL  28  13.383   6.269  -1.445
  255    HB   VAL  28           HB       VAL  28  11.928   4.575   0.609
  256   HG11  VAL  28          1HG1      VAL  28  13.584   3.853  -1.810
  257   HG12  VAL  28          2HG1      VAL  28  11.998   3.237  -1.346
  258   HG13  VAL  28          3HG1      VAL  28  13.431   2.757  -0.438
  259   HG21  VAL  28          3HG2      VAL  28  14.837   4.369   0.376
  260   HG22  VAL  28          1HG2      VAL  28  13.846   4.653   1.807
  261   HG23  VAL  28          2HG2      VAL  28  14.313   6.005   0.776
  262    H    GLY  29           H        GLY  29  10.001   6.078  -0.387
  263    HA2  GLY  29           2HA      GLY  29   9.255   5.487  -3.226
  264    HA3  GLY  29           1HA      GLY  29   8.416   4.732  -1.869
  265    HA   PRO  30           HA       PRO  30   6.560   8.955  -3.197
  266    HB2  PRO  30           2HB      PRO  30   4.161   7.890  -4.086
  267    HB3  PRO  30           1HB      PRO  30   5.535   8.291  -5.134
  268    HG2  PRO  30           2HG      PRO  30   4.698   5.655  -4.041
  269    HG3  PRO  30           1HG      PRO  30   5.350   6.065  -5.637
  270    HD2  PRO  30           2HD      PRO  30   6.888   4.917  -3.722
  271    HD3  PRO  30           1HD      PRO  30   7.552   6.085  -4.888
  272    H    ASN  31           H        ASN  31   4.941  10.021  -1.927
  273    HA   ASN  31           HA       ASN  31   4.247   8.625   0.558
  274    HB2  ASN  31           2HB      ASN  31   3.395  11.398  -0.309
  275    HB3  ASN  31           1HB      ASN  31   3.481  10.766   1.336
  276   HD21  ASN  31          1HD2      ASN  31   6.043   9.476   1.201
  277   HD22  ASN  31          2HD2      ASN  31   7.229  10.673   0.994
  278    H    LEU  32           H        LEU  32   2.165   7.992   1.175
  279    HA   LEU  32           HA       LEU  32   0.150   7.970  -1.017
  280    HB2  LEU  32           2HB      LEU  32   0.322   6.382   1.564
  281    HB3  LEU  32           1HB      LEU  32  -0.998   6.257   0.403
  282    HG   LEU  32           HG       LEU  32   0.730   5.701  -1.363
  283   HD11  LEU  32          1HD1      LEU  32   2.776   4.609   0.138
  284   HD12  LEU  32          2HD1      LEU  32   2.474   6.136   0.962
  285   HD13  LEU  32          3HD1      LEU  32   2.871   6.125  -0.755
  286   HD21  LEU  32          3HD2      LEU  32  -0.577   3.906  -0.478
  287   HD22  LEU  32          1HD2      LEU  32   0.307   3.922   1.048
  288   HD23  LEU  32          2HD2      LEU  32   1.096   3.352  -0.423
  289    H    HIS  33           H        HIS  33  -1.795   9.018  -0.804
  290    HA   HIS  33           HA       HIS  33  -2.933   9.824   1.715
  291    HB2  HIS  33           2HB      HIS  33  -1.124  11.468   1.719
  292    HB3  HIS  33           1HB      HIS  33  -1.540  11.969   0.079
  293    HD1  HIS  33           1HD      HIS  33  -4.214  12.782  -0.114
  294    HD2  HIS  33           2HD      HIS  33  -2.370  13.033   3.619
  295    HE1  HIS  33           1HE      HIS  33  -5.602  14.393   1.266
  296    HE2  HIS  33           2HE      HIS  33  -4.488  14.553   3.539
  297    H    GLY  34           H        GLY  34  -4.881   9.090   0.865
  298    HA2  GLY  34           2HA      GLY  34  -6.962   9.561  -0.199
  299    HA3  GLY  34           1HA      GLY  34  -6.175  10.857  -1.103
  300    H    ILE  35           H        ILE  35  -4.295   8.084  -1.166
  301    HA   ILE  35           HA       ILE  35  -4.511   7.715  -3.972
  302    HB   ILE  35           HB       ILE  35  -2.640   6.929  -2.403
  303   HG12  ILE  35          2HG1      ILE  35  -3.657   4.796  -4.296
  304   HG13  ILE  35          1HG1      ILE  35  -2.958   6.311  -4.871
  305   HG21  ILE  35          1HG2      ILE  35  -4.306   5.711  -0.903
  306   HG22  ILE  35          2HG2      ILE  35  -2.868   4.793  -1.351
  307   HG23  ILE  35          3HG2      ILE  35  -4.400   4.484  -2.166
  308   HD11  ILE  35          3HD1      ILE  35  -0.865   5.841  -3.744
  309   HD12  ILE  35          1HD1      ILE  35  -1.297   4.432  -4.713
  310   HD13  ILE  35          2HD1      ILE  35  -1.555   4.416  -2.968
  311    H    PHE  36           H        PHE  36  -6.455   6.502  -1.353
  312    HA   PHE  36           HA       PHE  36  -7.566   4.207  -2.640
  313    HB2  PHE  36           2HB      PHE  36  -8.674   6.091  -0.544
  314    HB3  PHE  36           1HB      PHE  36  -9.499   4.622  -1.054
  315    HD1  PHE  36           2HD      PHE  36  -8.554   2.407  -0.589
  316    HD2  PHE  36           1HD      PHE  36  -6.616   5.996   0.769
  317    HE1  PHE  36           2HE      PHE  36  -7.147   1.065   0.948
  318    HE2  PHE  36           1HE      PHE  36  -5.211   4.648   2.310
  319    HZ   PHE  36           HZ       PHE  36  -5.477   2.185   2.395
  320    H    GLY  37           H        GLY  37  -9.168   4.037  -4.181
  321    HA2  GLY  37           2HA      GLY  37 -10.721   4.721  -5.807
  322    HA3  GLY  37           1HA      GLY  37 -11.130   6.053  -4.722
  323    H    ARG  38           H        ARG  38  -7.862   5.514  -5.868
  324    HA   ARG  38           HA       ARG  38  -8.147   7.829  -7.726
  325    HB2  ARG  38           2HB      ARG  38  -7.216   8.519  -5.477
  326    HB3  ARG  38           1HB      ARG  38  -5.836   7.474  -5.807
  327    HG2  ARG  38           2HG      ARG  38  -5.379   8.749  -7.883
  328    HG3  ARG  38           1HG      ARG  38  -6.733   9.817  -7.509
  329    HD2  ARG  38           2HD      ARG  38  -5.605  10.351  -5.318
  330    HD3  ARG  38           1HD      ARG  38  -4.203   9.443  -5.885
  331    HE   ARG  38           HE       ARG  38  -4.697  11.274  -7.915
  332   HH11  ARG  38          1HH2      ARG  38  -4.173  11.350  -4.509
  333   HH12  ARG  38          2HH2      ARG  38  -3.436  12.917  -4.522
  334   HH21  ARG  38          1HH1      ARG  38  -3.742  13.324  -7.952
  335   HH22  ARG  38          2HH1      ARG  38  -3.190  14.034  -6.472
  336    H    HIS  39           H        HIS  39  -6.527   7.873  -9.419
  337    HA   HIS  39           HA       HIS  39  -5.503   5.167 -10.048
  338    HB2  HIS  39           2HB      HIS  39  -5.709   7.688 -11.722
  339    HB3  HIS  39           1HB      HIS  39  -5.082   6.146 -12.309
  340    HD1  HIS  39           1HD      HIS  39  -8.255   7.884 -11.345
  341    HD2  HIS  39           2HD      HIS  39  -7.066   4.096 -12.624
  342    HE1  HIS  39           1HE      HIS  39 -10.373   6.636 -11.962
  343    HE2  HIS  39           2HE      HIS  39  -9.660   4.330 -12.742
  344    H    SER  40           H        SER  40  -3.296   4.770 -10.435
  345    HA   SER  40           HA       SER  40  -1.428   6.356  -8.928
  346    HB2  SER  40           2HB      SER  40   0.228   4.791  -9.657
  347    HB3  SER  40           1HB      SER  40  -1.258   3.869  -9.458
  348    HG   SER  40           HG       SER  40  -0.485   5.039 -11.917
  349    H    GLY  41           H        GLY  41   0.564   7.332  -9.878
  350    HA2  GLY  41           2HA      GLY  41   1.729   8.416 -11.688
  351    HA3  GLY  41           1HA      GLY  41   0.263   8.303 -12.659
  352    H    GLN  42           H        GLN  42  -1.005   9.279  -9.887
  353    HA   GLN  42           HA       GLN  42  -0.835  12.133 -10.678
  354    HB2  GLN  42           2HB      GLN  42  -2.760  10.619  -8.904
  355    HB3  GLN  42           1HB      GLN  42  -2.787  12.374  -9.085
  356    HG2  GLN  42           2HG      GLN  42  -3.112  12.160 -11.494
  357    HG3  GLN  42           1HG      GLN  42  -2.998  10.403 -11.376
  358   HE21  GLN  42          1HE2      GLN  42  -5.352  11.666 -12.416
  359   HE22  GLN  42          2HE2      GLN  42  -6.627  11.400 -11.329
  360    H    ALA  43           H        ALA  43   0.932  10.257  -8.700
  361    HA   ALA  43           HA       ALA  43   0.865  11.564  -6.173
  362    HB1  ALA  43           1HB      ALA  43   3.291  10.859  -6.006
  363    HB2  ALA  43           2HB      ALA  43   3.176  10.293  -7.673
  364    HB3  ALA  43           3HB      ALA  43   2.184   9.549  -6.418
  365    H    GLU  44           H        GLU  44   2.250  12.467  -9.257
  366    HA   GLU  44           HA       GLU  44   3.545  14.348  -9.875
  367    HB2  GLU  44           2HB      GLU  44   1.316  15.492  -8.167
  368    HB3  GLU  44           1HB      GLU  44   2.339  16.456  -9.235
  369    HG2  GLU  44           2HG      GLU  44   1.620  15.045 -11.152
  370    HG3  GLU  44           1HG      GLU  44   0.548  14.156 -10.070
  371    H    GLY  45           H        GLY  45   5.546  14.096  -8.847
  372    HA2  GLY  45           2HA      GLY  45   6.769  15.905  -7.336
  373    HA3  GLY  45           1HA      GLY  45   5.835  15.104  -6.071
  374    H    TYR  46           H        TYR  46   6.063  12.495  -7.535
  375    HA   TYR  46           HA       TYR  46   8.950  11.918  -6.989
  376    HB2  TYR  46           2HB      TYR  46   7.418  11.093  -5.170
  377    HB3  TYR  46           1HB      TYR  46   6.619  10.080  -6.372
  378    HD1  TYR  46           1HD      TYR  46   9.930  10.799  -4.810
  379    HD2  TYR  46           2HD      TYR  46   7.534   7.989  -7.003
  380    HE1  TYR  46           1HE      TYR  46  11.688   9.074  -4.521
  381    HE2  TYR  46           2HE      TYR  46   9.295   6.265  -6.718
  382    HH   TYR  46           HH       TYR  46  11.196   5.852  -4.981
  383    H    SER  47           H        SER  47   9.928  10.491  -8.459
  384    HA   SER  47           HA       SER  47   8.772  10.320 -11.074
  385    HB2  SER  47           2HB      SER  47  10.724   9.084 -11.681
  386    HB3  SER  47           1HB      SER  47  11.249  10.236 -10.458
  387    HG   SER  47           HG       SER  47  10.677   8.371  -8.969
  388    H    TYR  48           H        TYR  48   8.188   8.343 -12.233
  389    HA   TYR  48           HA       TYR  48   6.995   6.274 -10.427
  390    HB2  TYR  48           2HB      TYR  48   5.996   7.602 -12.916
  391    HB3  TYR  48           1HB      TYR  48   5.536   5.927 -12.619
  392    HD1  TYR  48           1HD      TYR  48   4.260   5.312 -10.588
  393    HD2  TYR  48           2HD      TYR  48   5.141   9.404 -11.551
  394    HE1  TYR  48           1HE      TYR  48   2.526   6.062  -8.983
  395    HE2  TYR  48           2HE      TYR  48   3.407  10.154  -9.944
  396    HH   TYR  48           HH       TYR  48   1.700   7.841  -7.874
  397    H    THR  49           H        THR  49   7.475   4.140 -10.874
  398    HA   THR  49           HA       THR  49   9.687   3.606 -12.689
  399    HB   THR  49           HB       THR  49   7.900   1.628 -11.241
  400    HG1  THR  49           1HG      THR  49  10.090   3.185 -10.464
  401   HG21  THR  49          3HG2      THR  49  10.622   0.808 -11.561
  402   HG22  THR  49          1HG2      THR  49  10.010   1.328 -13.132
  403   HG23  THR  49          2HG2      THR  49   9.170   0.065 -12.233
  404    H    ASP  50           H        ASP  50   9.584   2.484 -14.668
  405    HA   ASP  50           HA       ASP  50   7.415   2.927 -16.369
  406    HB2  ASP  50           2HB      ASP  50   9.481   0.728 -16.436
  407    HB3  ASP  50           1HB      ASP  50   8.365   1.052 -17.760
  408    H    ALA  51           H        ALA  51   7.982   0.186 -14.206
  409    HA   ALA  51           HA       ALA  51   6.102  -1.655 -15.086
  410    HB1  ALA  51           1HB      ALA  51   6.066  -2.533 -12.898
  411    HB2  ALA  51           2HB      ALA  51   6.269  -0.942 -12.163
  412    HB3  ALA  51           3HB      ALA  51   7.624  -1.712 -12.988
  413    H    ASN  52           H        ASN  52   5.257   0.646 -12.468
  414    HA   ASN  52           HA       ASN  52   2.463   0.299 -12.711
  415    HB2  ASN  52           2HB      ASN  52   3.588   1.438 -10.803
  416    HB3  ASN  52           1HB      ASN  52   3.898   2.825 -11.847
  417   HD21  ASN  52          1HD2      ASN  52   1.232   0.907 -10.379
  418   HD22  ASN  52          2HD2      ASN  52   0.076   2.145 -10.503
  419    H    ILE  53           H        ILE  53   4.564   2.683 -14.368
  420    HA   ILE  53           HA       ILE  53   2.474   4.141 -15.615
  421    HB   ILE  53           HB       ILE  53   5.248   3.558 -16.669
  422   HG12  ILE  53          2HG1      ILE  53   5.372   4.521 -14.438
  423   HG13  ILE  53          1HG1      ILE  53   5.773   5.766 -15.611
  424   HG21  ILE  53          1HG2      ILE  53   3.870   4.475 -18.408
  425   HG22  ILE  53          2HG2      ILE  53   4.882   5.785 -17.797
  426   HG23  ILE  53          3HG2      ILE  53   3.190   5.674 -17.310
  427   HD11  ILE  53          3HD1      ILE  53   4.272   6.908 -14.247
  428   HD12  ILE  53          1HD1      ILE  53   3.296   5.469 -13.948
  429   HD13  ILE  53          2HD1      ILE  53   3.195   6.298 -15.502
  430    H    LYS  54           H        LYS  54   4.343   1.347 -16.861
  431    HA   LYS  54           HA       LYS  54   2.932   1.138 -19.329
  432    HB2  LYS  54           2HB      LYS  54   4.304  -0.989 -17.658
  433    HB3  LYS  54           1HB      LYS  54   3.708  -1.256 -19.297
  434    HG2  LYS  54           2HG      LYS  54   5.147   0.619 -20.090
  435    HG3  LYS  54           1HG      LYS  54   5.802   0.771 -18.461
  436    HD2  LYS  54           2HD      LYS  54   6.549  -1.609 -18.580
  437    HD3  LYS  54           1HD      LYS  54   5.990  -1.667 -20.252
  438    HE2  LYS  54           2HE      LYS  54   7.634   0.665 -19.895
  439    HE3  LYS  54           1HE      LYS  54   8.503  -0.750 -19.299
  440    HZ1  LYS  54           3HZ      LYS  54   9.001  -0.970 -21.470
  441    HZ2  LYS  54           1HZ      LYS  54   7.646  -0.095 -21.998
  442    HZ3  LYS  54           2HZ      LYS  54   7.480  -1.725 -21.542
  443    H    LYS  55           H        LYS  55   2.208  -0.039 -16.092
  444    HA   LYS  55           HA       LYS  55  -0.469  -0.914 -17.101
  445    HB2  LYS  55           2HB      LYS  55   0.920  -2.876 -16.501
  446    HB3  LYS  55           1HB      LYS  55   1.173  -2.199 -14.893
  447    HG2  LYS  55           2HG      LYS  55  -1.264  -2.259 -14.486
  448    HG3  LYS  55           1HG      LYS  55  -1.510  -2.964 -16.086
  449    HD2  LYS  55           2HD      LYS  55  -0.014  -4.864 -15.408
  450    HD3  LYS  55           1HD      LYS  55   0.033  -4.186 -13.780
  451    HE2  LYS  55           2HE      LYS  55  -2.702  -4.330 -14.662
  452    HE3  LYS  55           1HE      LYS  55  -1.938  -5.905 -14.877
  453    HZ1  LYS  55           3HZ      LYS  55  -1.231  -5.879 -12.601
  454    HZ2  LYS  55           1HZ      LYS  55  -2.901  -5.595 -12.652
  455    HZ3  LYS  55           2HZ      LYS  55  -1.829  -4.305 -12.379
  456    H    ASN  56           H        ASN  56  -1.895   0.570 -16.311
  457    HA   ASN  56           HA       ASN  56  -1.337   1.786 -13.656
  458    HB2  ASN  56           2HB      ASN  56  -1.929   3.152 -15.795
  459    HB3  ASN  56           1HB      ASN  56  -3.582   2.622 -15.479
  460   HD21  ASN  56          1HD2      ASN  56  -2.285   2.661 -12.471
  461   HD22  ASN  56          2HD2      ASN  56  -2.618   4.258 -12.008
  462    H    VAL  57           H        VAL  57  -2.688   1.438 -11.929
  463    HA   VAL  57           HA       VAL  57  -5.136  -0.208 -12.403
  464    HB   VAL  57           HB       VAL  57  -3.264  -1.633 -11.594
  465   HG11  VAL  57          1HG1      VAL  57  -2.417   0.502 -10.225
  466   HG12  VAL  57          2HG1      VAL  57  -2.040  -1.138  -9.700
  467   HG13  VAL  57          3HG1      VAL  57  -3.366  -0.253  -8.945
  468   HG21  VAL  57          3HG2      VAL  57  -5.546  -2.236 -10.963
  469   HG22  VAL  57          1HG2      VAL  57  -5.500  -1.111  -9.605
  470   HG23  VAL  57          2HG2      VAL  57  -4.472  -2.543  -9.598
  471    H    LEU  58           H        LEU  58  -6.852   0.213 -10.955
  472    HA   LEU  58           HA       LEU  58  -6.795   2.856  -9.704
  473    HB2  LEU  58           2HB      LEU  58  -8.833   2.043 -10.835
  474    HB3  LEU  58           1HB      LEU  58  -8.931   0.697  -9.701
  475    HG   LEU  58           HG       LEU  58  -9.128   2.334  -7.826
  476   HD11  LEU  58          1HD1      LEU  58  -8.617   4.189 -10.065
  477   HD12  LEU  58          2HD1      LEU  58  -8.300   4.387  -8.341
  478   HD13  LEU  58          3HD1      LEU  58  -9.918   4.682  -8.979
  479   HD21  LEU  58          3HD2      LEU  58 -11.390   3.370  -8.983
  480   HD22  LEU  58          1HD2      LEU  58 -11.277   1.755  -8.282
  481   HD23  LEU  58          2HD2      LEU  58 -11.066   1.980 -10.019
  482    H    TRP  59           H        TRP  59  -6.492   3.264  -7.536
  483    HA   TRP  59           HA       TRP  59  -5.853   0.920  -5.843
  484    HB2  TRP  59           2HB      TRP  59  -5.368   3.886  -5.513
  485    HB3  TRP  59           1HB      TRP  59  -5.024   2.710  -4.242
  486    HD1  TRP  59           HD       TRP  59  -3.564   4.221  -7.280
  487    HE1  TRP  59           1HE      TRP  59  -1.409   2.976  -7.965
  488    HE3  TRP  59           3HE      TRP  59  -3.933   0.116  -4.280
  489    HZ2  TRP  59           2HZ      TRP  59  -0.031   0.553  -7.324
  490    HZ3  TRP  59           3HZ      TRP  59  -2.189  -1.637  -4.328
  491    HH2  TRP  59           HH       TRP  59  -0.237  -1.426  -5.846
  492    H    ASP  60           H        ASP  60  -7.250   0.175  -4.415
  493    HA   ASP  60           HA       ASP  60  -9.095   1.934  -2.972
  494    HB2  ASP  60           2HB      ASP  60 -11.105   0.608  -3.627
  495    HB3  ASP  60           1HB      ASP  60 -10.404   1.481  -4.990
  496    H    GLU  61           H        GLU  61 -10.612   0.182  -1.622
  497    HA   GLU  61           HA       GLU  61  -8.793  -1.097   0.150
  498    HB2  GLU  61           2HB      GLU  61 -11.750  -1.602  -0.280
  499    HB3  GLU  61           1HB      GLU  61 -10.820  -2.188   1.100
  500    HG2  GLU  61           2HG      GLU  61 -10.227   0.156   1.670
  501    HG3  GLU  61           1HG      GLU  61 -11.225   0.716   0.328
  502    H    ASN  62           H        ASN  62 -10.689  -2.468  -2.551
  503    HA   ASN  62           HA       ASN  62  -9.868  -5.189  -1.967
  504    HB2  ASN  62           2HB      ASN  62 -11.218  -5.786  -3.723
  505    HB3  ASN  62           1HB      ASN  62 -11.869  -4.173  -3.438
  506   HD21  ASN  62          1HD2      ASN  62 -10.671  -6.146  -5.878
  507   HD22  ASN  62          2HD2      ASN  62 -10.197  -4.946  -6.979
  508    H    ASN  63           H        ASN  63  -8.848  -2.802  -4.422
  509    HA   ASN  63           HA       ASN  63  -6.943  -4.432  -5.727
  510    HB2  ASN  63           2HB      ASN  63  -7.760  -2.164  -6.477
  511    HB3  ASN  63           1HB      ASN  63  -6.674  -1.453  -5.281
  512   HD21  ASN  63          1HD2      ASN  63  -5.343  -0.483  -6.995
  513   HD22  ASN  63          2HD2      ASN  63  -4.308  -1.440  -7.940
  514    H    MET  64           H        MET  64  -6.535  -2.334  -2.874
  515    HA   MET  64           HA       MET  64  -3.715  -2.705  -2.642
  516    HB2  MET  64           2HB      MET  64  -5.824  -2.093  -0.560
  517    HB3  MET  64           1HB      MET  64  -4.094  -2.109  -0.211
  518    HG2  MET  64           2HG      MET  64  -3.765  -0.443  -2.051
  519    HG3  MET  64           1HG      MET  64  -5.515  -0.356  -2.232
  520    HE1  MET  64           3HE      MET  64  -4.364   1.841  -2.237
  521    HE2  MET  64           1HE      MET  64  -3.774   2.737  -0.828
  522    HE3  MET  64           2HE      MET  64  -5.495   2.716  -1.205
  523    H    SER  65           H        SER  65  -6.444  -4.615  -1.402
  524    HA   SER  65           HA       SER  65  -4.880  -6.376   0.225
  525    HB2  SER  65           2HB      SER  65  -6.792  -7.857   0.165
  526    HB3  SER  65           1HB      SER  65  -7.400  -6.206   0.226
  527    HG   SER  65           HG       SER  65  -7.129  -6.640  -2.282
  528    H    GLU  66           H        GLU  66  -5.787  -6.505  -3.216
  529    HA   GLU  66           HA       GLU  66  -4.548  -9.066  -3.705
  530    HB2  GLU  66           2HB      GLU  66  -5.245  -6.781  -5.574
  531    HB3  GLU  66           1HB      GLU  66  -4.726  -8.379  -6.103
  532    HG2  GLU  66           2HG      GLU  66  -7.158  -7.831  -4.380
  533    HG3  GLU  66           1HG      GLU  66  -7.199  -8.160  -6.112
  534    H    HIS  67           H        HIS  67  -3.457  -5.719  -3.822
  535    HA   HIS  67           HA       HIS  67  -1.000  -6.064  -5.184
  536    HB2  HIS  67           2HB      HIS  67  -2.067  -3.885  -4.506
  537    HB3  HIS  67           1HB      HIS  67  -1.524  -4.193  -2.858
  538    HD1  HIS  67           1HD      HIS  67   0.069  -4.137  -6.331
  539    HD2  HIS  67           2HD      HIS  67   0.945  -3.051  -2.406
  540    HE1  HIS  67           1HE      HIS  67   2.359  -3.057  -6.383
  541    HE2  HIS  67           2HE      HIS  67   2.907  -2.402  -3.994
  542    H    LEU  68           H        LEU  68  -1.761  -6.371  -1.729
  543    HA   LEU  68           HA       LEU  68   0.914  -6.973  -0.890
  544    HB2  LEU  68           2HB      LEU  68  -1.747  -7.673   0.372
  545    HB3  LEU  68           1HB      LEU  68  -0.188  -7.777   1.180
  546    HG   LEU  68           HG       LEU  68  -1.361  -5.245   0.004
  547   HD11  LEU  68          1HD1      LEU  68  -2.641  -5.892   1.953
  548   HD12  LEU  68          2HD1      LEU  68  -1.548  -4.592   2.431
  549   HD13  LEU  68          3HD1      LEU  68  -1.167  -6.262   2.851
  550   HD21  LEU  68          3HD2      LEU  68   0.581  -4.513   1.770
  551   HD22  LEU  68          1HD2      LEU  68   0.851  -4.693   0.039
  552   HD23  LEU  68          2HD2      LEU  68   1.257  -6.009   1.139
  553    H    THR  69           H        THR  69  -1.738  -8.980  -2.082
  554    HA   THR  69           HA       THR  69  -0.833 -11.509  -1.241
  555    HB   THR  69           HB       THR  69  -2.105 -10.916  -3.921
  556    HG1  THR  69           1HG      THR  69  -3.873 -10.517  -2.870
  557   HG21  THR  69          3HG2      THR  69  -1.891 -13.343  -2.139
  558   HG22  THR  69          1HG2      THR  69  -1.445 -13.193  -3.839
  559   HG23  THR  69          2HG2      THR  69  -3.146 -13.203  -3.372
  560    H    ASN  70           H        ASN  70   0.240  -9.580  -4.022
  561    HA   ASN  70           HA       ASN  70   2.763 -11.000  -4.096
  562    HB2  ASN  70           2HB      ASN  70   2.417 -11.837  -6.479
  563    HB3  ASN  70           1HB      ASN  70   1.547 -12.729  -5.231
  564   HD21  ASN  70          1HD2      ASN  70   0.909 -12.129  -8.208
  565   HD22  ASN  70          2HD2      ASN  70  -0.680 -11.535  -8.163
  566    HA   PRO  71           HA       PRO  71   2.418  -6.546  -5.619
  567    HB2  PRO  71           2HB      PRO  71   5.064  -6.595  -4.257
  568    HB3  PRO  71           1HB      PRO  71   3.769  -5.389  -4.165
  569    HG2  PRO  71           2HG      PRO  71   4.275  -7.149  -2.191
  570    HG3  PRO  71           1HG      PRO  71   2.660  -6.509  -2.525
  571    HD2  PRO  71           2HD      PRO  71   3.728  -9.227  -3.019
  572    HD3  PRO  71           1HD      PRO  71   2.051  -8.694  -2.823
  573    H    ALA  72           H        ALA  72   4.897  -9.057  -5.845
  574    HA   ALA  72           HA       ALA  72   6.582  -7.753  -7.760
  575    HB1  ALA  72           1HB      ALA  72   6.510 -10.253  -6.470
  576    HB2  ALA  72           2HB      ALA  72   7.765  -9.662  -7.558
  577    HB3  ALA  72           3HB      ALA  72   6.426 -10.617  -8.194
  578    H    LYS  73           H        LYS  73   4.087 -10.270  -8.306
  579    HA   LYS  73           HA       LYS  73   4.056  -9.984 -11.151
  580    HB2  LYS  73           2HB      LYS  73   1.879 -10.921  -9.255
  581    HB3  LYS  73           1HB      LYS  73   1.835 -11.118 -11.008
  582    HG2  LYS  73           2HG      LYS  73   3.977 -12.395 -10.878
  583    HG3  LYS  73           1HG      LYS  73   3.905 -12.279  -9.120
  584    HD2  LYS  73           2HD      LYS  73   1.679 -13.415  -9.179
  585    HD3  LYS  73           1HD      LYS  73   1.870 -13.624 -10.921
  586    HE2  LYS  73           2HE      LYS  73   4.199 -14.677 -10.185
  587    HE3  LYS  73           1HE      LYS  73   3.330 -14.961  -8.678
  588    HZ1  LYS  73           3HZ      LYS  73   3.242 -16.597 -10.788
  589    HZ2  LYS  73           1HZ      LYS  73   1.876 -15.638 -11.088
  590    HZ3  LYS  73           2HZ      LYS  73   2.010 -16.487  -9.623
  591    H    TYR  74           H        TYR  74   2.579  -8.187  -8.571
  592    HA   TYR  74           HA       TYR  74   0.470  -6.888  -9.955
  593    HB2  TYR  74           2HB      TYR  74   1.054  -6.871  -7.456
  594    HB3  TYR  74           1HB      TYR  74   2.215  -5.607  -7.845
  595    HD1  TYR  74           2HD      TYR  74  -1.369  -6.492  -7.713
  596    HD2  TYR  74           1HD      TYR  74   1.482  -3.380  -8.465
  597    HE1  TYR  74           2HE      TYR  74  -3.174  -4.793  -7.570
  598    HE2  TYR  74           1HE      TYR  74  -0.304  -1.688  -8.312
  599    HH   TYR  74           HH       TYR  74  -2.427  -1.348  -7.589
  600    H    ILE  75           H        ILE  75   3.824  -5.685  -9.391
  601    HA   ILE  75           HA       ILE  75   3.639  -4.255 -11.999
  602    HB   ILE  75           HB       ILE  75   4.832  -2.297 -10.872
  603   HG12  ILE  75          2HG1      ILE  75   3.677  -3.578  -8.378
  604   HG13  ILE  75          1HG1      ILE  75   5.380  -3.605  -8.796
  605   HG21  ILE  75          1HG2      ILE  75   1.976  -3.064 -10.657
  606   HG22  ILE  75          2HG2      ILE  75   2.709  -1.642 -11.394
  607   HG23  ILE  75          3HG2      ILE  75   2.486  -1.713  -9.646
  608   HD11  ILE  75          3HD1      ILE  75   3.747  -1.079  -8.484
  609   HD12  ILE  75          1HD1      ILE  75   5.485  -1.180  -8.758
  610   HD13  ILE  75          2HD1      ILE  75   4.797  -1.747  -7.238
  611    HA   PRO  76           HA       PRO  76   7.556  -6.771 -11.271
  612    HB2  PRO  76           2HB      PRO  76   7.158  -7.040 -14.211
  613    HB3  PRO  76           1HB      PRO  76   7.582  -8.277 -13.011
  614    HG2  PRO  76           2HG      PRO  76   5.134  -8.113 -14.085
  615    HG3  PRO  76           1HG      PRO  76   5.406  -8.640 -12.416
  616    HD2  PRO  76           2HD      PRO  76   4.318  -6.048 -13.413
  617    HD3  PRO  76           1HD      PRO  76   4.000  -6.893 -11.883
  618    H    GLY  77           H        GLY  77   9.562  -5.819 -11.482
  619    HA2  GLY  77           2HA      GLY  77  11.254  -4.617 -12.731
  620    HA3  GLY  77           1HA      GLY  77   9.972  -3.838 -13.650
  621    H    THR  78           H        THR  78   8.942  -3.724 -10.495
  622    HA   THR  78           HA       THR  78   9.846  -0.920 -10.291
  623    HB   THR  78           HB       THR  78   7.444  -1.628  -9.849
  624    HG1  THR  78           1HG      THR  78   7.258  -0.077  -8.324
  625   HG21  THR  78          3HG2      THR  78   6.951  -2.500  -7.595
  626   HG22  THR  78          1HG2      THR  78   8.672  -2.671  -7.277
  627   HG23  THR  78          2HG2      THR  78   7.910  -3.652  -8.527
  628    H    LYS  79           H        LYS  79  10.720  -0.114  -8.201
  629    HA   LYS  79           HA       LYS  79  12.813  -1.941  -7.239
  630    HB2  LYS  79           2HB      LYS  79  12.200   0.948  -6.542
  631    HB3  LYS  79           1HB      LYS  79  13.632   0.058  -6.022
  632    HG2  LYS  79           2HG      LYS  79  14.181  -0.348  -8.440
  633    HG3  LYS  79           1HG      LYS  79  12.842   0.717  -8.872
  634    HD2  LYS  79           2HD      LYS  79  15.176   1.526  -7.113
  635    HD3  LYS  79           1HD      LYS  79  15.046   1.899  -8.833
  636    HE2  LYS  79           2HE      LYS  79  12.674   2.852  -8.085
  637    HE3  LYS  79           1HE      LYS  79  13.491   3.008  -6.530
  638    HZ1  LYS  79           3HZ      LYS  79  14.209   4.932  -7.384
  639    HZ2  LYS  79           1HZ      LYS  79  13.906   4.469  -8.987
  640    HZ3  LYS  79           2HZ      LYS  79  15.336   3.971  -8.217
  641    H    MET  80           H        MET  80   9.657  -1.541  -6.406
  642    HA   MET  80           HA       MET  80   9.928  -1.440  -3.504
  643    HB2  MET  80           2HB      MET  80   7.873  -0.627  -4.529
  644    HB3  MET  80           1HB      MET  80   7.591  -2.198  -5.277
  645    HG2  MET  80           2HG      MET  80   7.161  -3.243  -3.198
  646    HG3  MET  80           1HG      MET  80   7.887  -1.920  -2.288
  647    HE1  MET  80           3HE      MET  80   5.753  -0.844  -5.351
  648    HE2  MET  80           1HE      MET  80   4.120  -1.294  -4.842
  649    HE3  MET  80           2HE      MET  80   5.343  -2.538  -5.086
  650    H    ALA  81           H        ALA  81  10.421  -3.129  -2.219
  651    HA   ALA  81           HA       ALA  81  10.021  -5.897  -3.293
  652    HB1  ALA  81           1HB      ALA  81  12.352  -5.705  -3.149
  653    HB2  ALA  81           2HB      ALA  81  11.933  -6.408  -1.586
  654    HB3  ALA  81           3HB      ALA  81  12.274  -4.683  -1.714
  655    H    PHE  82           H        PHE  82   7.880  -5.704  -2.270
  656    HA   PHE  82           HA       PHE  82   7.931  -5.762   0.707
  657    HB2  PHE  82           2HB      PHE  82   6.363  -4.183  -0.414
  658    HB3  PHE  82           1HB      PHE  82   5.570  -5.556  -1.184
  659    HD1  PHE  82           1HD      PHE  82   6.181  -3.815   2.011
  660    HD2  PHE  82           2HD      PHE  82   4.182  -7.094   0.088
  661    HE1  PHE  82           1HE      PHE  82   4.776  -4.142   4.027
  662    HE2  PHE  82           2HE      PHE  82   2.778  -7.421   2.102
  663    HZ   PHE  82           HZ       PHE  82   3.071  -5.945   4.071
  664    H    GLY  83           H        GLY  83   7.559  -7.667   1.766
  665    HA2  GLY  83           2HA      GLY  83   7.390 -10.138   0.269
  666    HA3  GLY  83           1HA      GLY  83   7.290  -9.992   2.025
  667    H    GLY  84           H        GLY  84   5.585 -11.513   0.029
  668    HA2  GLY  84           2HA      GLY  84   2.996 -10.189   0.060
  669    HA3  GLY  84           1HA      GLY  84   3.293 -11.857  -0.428
  670    H    LEU  85           H        LEU  85   1.204 -10.717   1.399
  671    HA   LEU  85           HA       LEU  85   1.974 -11.944   3.997
  672    HB2  LEU  85           2HB      LEU  85  -0.561 -10.453   3.249
  673    HB3  LEU  85           1HB      LEU  85  -0.046 -10.900   4.876
  674    HG   LEU  85           HG       LEU  85   1.377  -8.986   3.004
  675   HD11  LEU  85          1HD1      LEU  85   0.338  -8.330   5.743
  676   HD12  LEU  85          2HD1      LEU  85  -0.784  -8.361   4.383
  677   HD13  LEU  85          3HD1      LEU  85   0.596  -7.262   4.362
  678   HD21  LEU  85          3HD2      LEU  85   2.136 -10.263   5.620
  679   HD22  LEU  85          1HD2      LEU  85   2.701  -8.634   5.252
  680   HD23  LEU  85          2HD2      LEU  85   3.133  -9.976   4.193
  681    H    LYS  86           H        LYS  86   1.160 -13.912   4.618
  682    HA   LYS  86           HA       LYS  86  -0.594 -15.315   2.684
  683    HB2  LYS  86           2HB      LYS  86   0.879 -16.323   5.136
  684    HB3  LYS  86           1HB      LYS  86  -0.018 -17.332   4.002
  685    HG2  LYS  86           2HG      LYS  86   1.472 -16.448   2.166
  686    HG3  LYS  86           1HG      LYS  86   2.448 -15.673   3.414
  687    HD2  LYS  86           2HD      LYS  86   1.852 -18.645   3.284
  688    HD3  LYS  86           1HD      LYS  86   3.355 -17.897   2.747
  689    HE2  LYS  86           2HE      LYS  86   2.257 -18.083   5.551
  690    HE3  LYS  86           1HE      LYS  86   3.823 -18.624   4.951
  691    HZ1  LYS  86           3HZ      LYS  86   4.285 -16.223   4.456
  692    HZ2  LYS  86           1HZ      LYS  86   4.205 -16.624   6.102
  693    HZ3  LYS  86           2HZ      LYS  86   2.895 -15.840   5.356
  694    H    LYS  87           H        LYS  87  -0.915 -13.548   5.560
  695    HA   LYS  87           HA       LYS  87  -3.296 -15.099   6.420
  696    HB2  LYS  87           2HB      LYS  87  -1.827 -12.797   7.727
  697    HB3  LYS  87           1HB      LYS  87  -3.263 -13.570   8.397
  698    HG2  LYS  87           2HG      LYS  87  -2.036 -15.762   8.329
  699    HG3  LYS  87           1HG      LYS  87  -0.584 -14.876   7.853
  700    HD2  LYS  87           2HD      LYS  87  -0.804 -13.494   9.922
  701    HD3  LYS  87           1HD      LYS  87  -2.166 -14.502  10.410
  702    HE2  LYS  87           2HE      LYS  87   0.739 -15.131  10.375
  703    HE3  LYS  87           1HE      LYS  87  -0.520 -15.689  11.476
  704    HZ1  LYS  87           3HZ      LYS  87  -0.032 -16.634   8.706
  705    HZ2  LYS  87           1HZ      LYS  87  -1.370 -17.088   9.645
  706    HZ3  LYS  87           2HZ      LYS  87   0.199 -17.515  10.140
  707    H    GLU  88           H        GLU  88  -5.303 -14.413   5.929
  708    HA   GLU  88           HA       GLU  88  -5.668 -12.004   4.329
  709    HB2  GLU  88           2HB      GLU  88  -7.662 -13.963   5.504
  710    HB3  GLU  88           1HB      GLU  88  -8.079 -12.661   4.389
  711    HG2  GLU  88           2HG      GLU  88  -6.509 -13.618   2.717
  712    HG3  GLU  88           1HG      GLU  88  -6.170 -14.949   3.825
  713    H    LYS  89           H        LYS  89  -6.438 -12.980   7.660
  714    HA   LYS  89           HA       LYS  89  -8.017 -10.717   8.355
  715    HB2  LYS  89           2HB      LYS  89  -6.167 -12.395  10.076
  716    HB3  LYS  89           1HB      LYS  89  -7.359 -11.253  10.701
  717    HG2  LYS  89           2HG      LYS  89  -9.145 -12.521   9.505
  718    HG3  LYS  89           1HG      LYS  89  -7.933 -13.704   9.012
  719    HD2  LYS  89           2HD      LYS  89  -7.402 -14.102  11.422
  720    HD3  LYS  89           1HD      LYS  89  -8.723 -13.014  11.856
  721    HE2  LYS  89           2HE      LYS  89 -10.109 -14.785  11.740
  722    HE3  LYS  89           1HE      LYS  89  -9.836 -14.800   9.998
  723    HZ1  LYS  89           3HZ      LYS  89  -9.078 -16.856  10.452
  724    HZ2  LYS  89           1HZ      LYS  89  -8.709 -16.501  12.068
  725    HZ3  LYS  89           2HZ      LYS  89  -7.644 -16.029  10.831
  726    H    ASP  90           H        ASP  90  -4.493 -11.232   8.774
  727    HA   ASP  90           HA       ASP  90  -3.980  -8.632   9.847
  728    HB2  ASP  90           2HB      ASP  90  -2.197 -10.545   8.313
  729    HB3  ASP  90           1HB      ASP  90  -1.620  -9.093   9.125
  730    H    ARG  91           H        ARG  91  -4.096  -9.885   6.550
  731    HA   ARG  91           HA       ARG  91  -3.020  -7.665   5.163
  732    HB2  ARG  91           2HB      ARG  91  -3.648  -9.904   4.185
  733    HB3  ARG  91           1HB      ARG  91  -5.338  -9.407   4.268
  734    HG2  ARG  91           2HG      ARG  91  -4.665  -7.362   2.899
  735    HG3  ARG  91           1HG      ARG  91  -3.125  -8.177   2.619
  736    HD2  ARG  91           2HD      ARG  91  -5.886  -9.139   1.836
  737    HD3  ARG  91           1HD      ARG  91  -4.543  -8.741   0.765
  738    HE   ARG  91           HE       ARG  91  -4.947 -11.279   2.072
  739   HH11  ARG  91          1HH2      ARG  91  -2.585  -8.957   1.141
  740   HH12  ARG  91          2HH2      ARG  91  -1.312 -10.117   0.974
  741   HH21  ARG  91          1HH1      ARG  91  -3.300 -12.813   1.861
  742   HH22  ARG  91          2HH1      ARG  91  -1.717 -12.302   1.382
  743    H    ASN  92           H        ASN  92  -6.392  -8.304   6.159
  744    HA   ASN  92           HA       ASN  92  -7.505  -5.942   5.009
  745    HB2  ASN  92           2HB      ASN  92  -8.765  -7.957   5.925
  746    HB3  ASN  92           1HB      ASN  92  -8.489  -7.286   7.533
  747   HD21  ASN  92          1HD2      ASN  92 -11.110  -7.400   7.010
  748   HD22  ASN  92          2HD2      ASN  92 -11.748  -5.905   6.523
  749    H    ASP  93           H        ASP  93  -6.080  -6.546   8.213
  750    HA   ASP  93           HA       ASP  93  -6.758  -4.050   9.384
  751    HB2  ASP  93           2HB      ASP  93  -4.367  -5.855   9.848
  752    HB3  ASP  93           1HB      ASP  93  -4.833  -4.522  10.898
  753    H    LEU  94           H        LEU  94  -3.971  -5.011   7.385
  754    HA   LEU  94           HA       LEU  94  -2.462  -2.630   7.709
  755    HB2  LEU  94           2HB      LEU  94  -1.608  -4.704   6.621
  756    HB3  LEU  94           1HB      LEU  94  -2.640  -4.367   5.232
  757    HG   LEU  94           HG       LEU  94  -1.496  -2.192   4.914
  758   HD11  LEU  94          1HD1      LEU  94  -0.656  -1.461   6.930
  759   HD12  LEU  94          2HD1      LEU  94   0.809  -2.185   6.266
  760   HD13  LEU  94          3HD1      LEU  94  -0.164  -3.076   7.436
  761   HD21  LEU  94          3HD2      LEU  94  -0.061  -3.291   3.576
  762   HD22  LEU  94          1HD2      LEU  94  -0.457  -4.779   4.434
  763   HD23  LEU  94          2HD2      LEU  94   0.906  -3.792   4.961
  764    H    ILE  95           H        ILE  95  -4.952  -3.413   5.259
  765    HA   ILE  95           HA       ILE  95  -4.707  -0.914   3.867
  766    HB   ILE  95           HB       ILE  95  -7.148  -2.686   4.076
  767   HG12  ILE  95          2HG1      ILE  95  -4.884  -2.758   2.058
  768   HG13  ILE  95          1HG1      ILE  95  -5.054  -3.895   3.395
  769   HG21  ILE  95          1HG2      ILE  95  -8.063  -1.396   2.448
  770   HG22  ILE  95          2HG2      ILE  95  -6.543  -1.313   1.553
  771   HG23  ILE  95          3HG2      ILE  95  -6.843  -0.200   2.889
  772   HD11  ILE  95          3HD1      ILE  95  -6.195  -5.116   1.832
  773   HD12  ILE  95          1HD1      ILE  95  -6.605  -3.697   0.871
  774   HD13  ILE  95          2HD1      ILE  95  -7.533  -4.079   2.320
  775    H    THR  96           H        THR  96  -6.821  -1.985   6.511
  776    HA   THR  96           HA       THR  96  -8.454   0.312   6.687
  777    HB   THR  96           HB       THR  96  -7.483  -1.364   9.017
  778    HG1  THR  96           1HG      THR  96  -8.675  -2.906   8.258
  779   HG21  THR  96          3HG2      THR  96  -8.978   0.879   9.115
  780   HG22  THR  96          1HG2      THR  96  -9.222  -0.477  10.217
  781   HG23  THR  96          2HG2      THR  96 -10.249  -0.300   8.794
  782    H    TYR  97           H        TYR  97  -5.251  -0.329   8.136
  783    HA   TYR  97           HA       TYR  97  -5.124   2.004   9.755
  784    HB2  TYR  97           2HB      TYR  97  -3.467   0.139   9.833
  785    HB3  TYR  97           1HB      TYR  97  -2.828   0.677   8.280
  786    HD1  TYR  97           2HD      TYR  97  -3.348   1.670  11.825
  787    HD2  TYR  97           1HD      TYR  97  -1.375   2.568   8.117
  788    HE1  TYR  97           2HE      TYR  97  -1.931   3.344  12.984
  789    HE2  TYR  97           1HE      TYR  97   0.040   4.242   9.275
  790    HH   TYR  97           HH       TYR  97  -0.199   4.732  12.795
  791    H    LEU  98           H        LEU  98  -3.968   1.520   6.398
  792    HA   LEU  98           HA       LEU  98  -3.275   4.300   6.036
  793    HB2  LEU  98           2HB      LEU  98  -3.893   2.116   4.022
  794    HB3  LEU  98           1HB      LEU  98  -3.265   3.708   3.596
  795    HG   LEU  98           HG       LEU  98  -1.899   1.726   5.444
  796   HD11  LEU  98          1HD1      LEU  98  -1.937   2.035   2.557
  797   HD12  LEU  98          2HD1      LEU  98  -1.161   0.786   3.529
  798   HD13  LEU  98          3HD1      LEU  98  -0.313   2.295   3.196
  799   HD21  LEU  98          3HD2      LEU  98  -0.991   3.704   6.171
  800   HD22  LEU  98          1HD2      LEU  98  -1.443   4.568   4.702
  801   HD23  LEU  98          2HD2      LEU  98  -0.014   3.535   4.713
  802    H    LYS  99           H        LYS  99  -6.185   2.399   5.641
  803    HA   LYS  99           HA       LYS  99  -7.718   4.156   4.047
  804    HB2  LYS  99           2HB      LYS  99  -8.395   1.845   4.818
  805    HB3  LYS  99           1HB      LYS  99  -8.738   2.542   6.401
  806    HG2  LYS  99           2HG      LYS  99 -10.322   4.131   5.308
  807    HG3  LYS  99           1HG      LYS  99 -10.047   3.293   3.780
  808    HD2  LYS  99           2HD      LYS  99 -10.842   1.184   4.801
  809    HD3  LYS  99           1HD      LYS  99 -11.152   2.043   6.311
  810    HE2  LYS  99           2HE      LYS  99 -12.853   3.389   5.309
  811    HE3  LYS  99           1HE      LYS  99 -12.397   2.877   3.684
  812    HZ1  LYS  99           3HZ      LYS  99 -13.750   1.313   5.794
  813    HZ2  LYS  99           1HZ      LYS  99 -12.958   0.549   4.503
  814    HZ3  LYS  99           2HZ      LYS  99 -14.257   1.602   4.198
  815    H    LYS 100           H        LYS 100  -7.210   4.109   7.573
  816    HA   LYS 100           HA       LYS 100  -8.947   6.279   8.220
  817    HB2  LYS 100           2HB      LYS 100  -6.380   5.351   9.539
  818    HB3  LYS 100           1HB      LYS 100  -7.512   6.499  10.255
  819    HG2  LYS 100           2HG      LYS 100  -9.304   4.790  10.126
  820    HG3  LYS 100           1HG      LYS 100  -8.135   3.638   9.471
  821    HD2  LYS 100           2HD      LYS 100  -6.774   3.829  11.499
  822    HD3  LYS 100           1HD      LYS 100  -7.893   5.024  12.150
  823    HE2  LYS 100           2HE      LYS 100  -9.186   3.374  12.974
  824    HE3  LYS 100           1HE      LYS 100  -9.408   2.732  11.346
  825    HZ1  LYS 100           3HZ      LYS 100  -6.858   2.184  12.650
  826    HZ2  LYS 100           1HZ      LYS 100  -7.784   1.204  11.621
  827    HZ3  LYS 100           2HZ      LYS 100  -8.219   1.367  13.256
  828    H    ALA 101           H        ALA 101  -5.506   6.186   7.380
  829    HA   ALA 101           HA       ALA 101  -4.963   8.960   7.701
  830    HB1  ALA 101           1HB      ALA 101  -3.037   7.681   7.407
  831    HB2  ALA 101           2HB      ALA 101  -3.207   8.415   5.813
  832    HB3  ALA 101           3HB      ALA 101  -3.735   6.754   6.079
  833    H    THR 102           H        THR 102  -6.555   7.199   5.117
  834    HA   THR 102           HA       THR 102  -6.334   9.145   3.054
  835    HB   THR 102           HB       THR 102  -7.491   6.684   3.237
  836    HG1  THR 102           1HG      THR 102  -8.406   8.464   1.279
  837   HG21  THR 102          3HG2      THR 102  -9.863   6.836   2.969
  838   HG22  THR 102          1HG2      THR 102  -9.810   8.595   2.883
  839   HG23  THR 102          2HG2      THR 102  -9.470   7.773   4.406
  840    H    GLU 103           H        GLU 103  -8.478   8.952   5.850
  841    HA   GLU 103           HA       GLU 103 -10.389  10.903   5.086
  842    HB2  GLU 103           2HB      GLU 103  -9.251  10.322   7.839
  843    HB3  GLU 103           1HB      GLU 103 -10.722  11.244   7.526
  844    HG2  GLU 103           2HG      GLU 103 -11.685   9.264   6.368
  845    HG3  GLU 103           1HG      GLU 103 -10.235   8.345   6.776
  846    HHA  HEC 201           HA       HEC 104   4.845   2.752  -5.875
  847    HHB  HEC 201           HB       HEC 104   1.085   0.234  -1.464
  848    HHC  HEC 201           HC       HEC 104   6.150  -1.143   2.054
  849    HHD  HEC 201           HD       HEC 104   9.915   1.288  -2.414
  850   HMA1  HEC 201          1HMA      HEC 104  -0.010   2.610  -4.205
  851   HMA2  HEC 201          2HMA      HEC 104   0.025   1.956  -2.568
  852   HMA3  HEC 201          3HMA      HEC 104  -0.263   0.885  -3.938
  853   HAA1  HEC 201          1HAA      HEC 104   2.578   1.516  -6.763
  854   HAA2  HEC 201          2HAA      HEC 104   1.058   2.177  -6.184
  855   HBA1  HEC 201          1HBA      HEC 104   3.218   3.557  -7.438
  856   HBA2  HEC 201          2HBA      HEC 104   3.061   4.166  -5.789
  857   HMB1  HEC 201          1HMB      HEC 104   0.419  -0.852   1.157
  858   HMB2  HEC 201          2HMB      HEC 104   0.806  -1.717  -0.325
  859   HMB3  HEC 201          3HMB      HEC 104   1.249  -2.405   1.228
  860    HAB  HEC 201           HAB      HEC 104   4.361  -1.837   3.181
  861   HBB1  HEC 201          1HBB      HEC 104   2.141  -2.786   3.213
  862   HBB2  HEC 201          2HBB      HEC 104   1.407  -1.182   3.149
  863   HBB3  HEC 201          3HBB      HEC 104   2.293  -1.687   4.579
  864   HMC1  HEC 201          1HMC      HEC 104   9.964  -1.416   1.990
  865   HMC2  HEC 201          2HMC      HEC 104   8.617  -2.471   1.558
  866   HMC3  HEC 201          3HMC      HEC 104   8.414  -1.251   2.817
  867    HAC  HEC 201           HAC      HEC 104  10.968   1.294  -0.486
  868   HBC1  HEC 201          1HBC      HEC 104  12.485  -0.372  -0.567
  869   HBC2  HEC 201          2HBC      HEC 104  12.013  -0.949   1.031
  870   HBC3  HEC 201          3HBC      HEC 104  11.141  -1.502  -0.399
  871   HMD1  HEC 201          1HMD      HEC 104  10.619   2.415  -4.277
  872   HMD2  HEC 201          2HMD      HEC 104  10.015   2.789  -5.891
  873   HMD3  HEC 201          3HMD      HEC 104  10.093   1.114  -5.346
  874   HAD1  HEC 201          1HAD      HEC 104   8.298   4.246  -6.257
  875   HAD2  HEC 201          2HAD      HEC 104   6.545   4.226  -6.250
  876   HBD1  HEC 201          1HBD      HEC 104   8.433   2.902  -8.084
  877   HBD2  HEC 201          2HBD      HEC 104   7.077   1.897  -7.570
  Start of MODEL    4
    1    H1   THR  -5           1HT      THR  -5 -14.368  -6.897  -2.894
    2    H2   THR  -5           2HT      THR  -5 -14.383  -8.394  -3.696
    3    H3   THR  -5           3HT      THR  -5 -14.103  -8.326  -2.021
    4    HA   THR  -5           HA       THR  -5 -16.633  -7.606  -3.402
    5    HB   THR  -5           HB       THR  -5 -17.404  -9.574  -1.878
    6    HG1  THR  -5           1HG      THR  -5 -14.694 -10.292  -2.218
    7   HG21  THR  -5          1HG2      THR  -5 -15.740  -9.870  -4.382
    8   HG22  THR  -5          2HG2      THR  -5 -17.499  -9.828  -4.244
    9   HG23  THR  -5          3HG2      THR  -5 -16.601 -11.227  -3.655
   10    H    GLU  -4           H        GLU  -4 -16.111  -8.841  -0.150
   11    HA   GLU  -4           HA       GLU  -4 -17.204  -6.266   0.905
   12    HB2  GLU  -4           2HB      GLU  -4 -17.222  -9.043   2.129
   13    HB3  GLU  -4           1HB      GLU  -4 -17.928  -7.600   2.859
   14    HG2  GLU  -4           2HG      GLU  -4 -18.737  -8.759   0.176
   15    HG3  GLU  -4           1HG      GLU  -4 -19.634  -8.970   1.680
   16    H    PHE  -3           H        PHE  -3 -16.234  -5.388   2.831
   17    HA   PHE  -3           HA       PHE  -3 -13.377  -6.175   3.131
   18    HB2  PHE  -3           2HB      PHE  -3 -13.865  -3.800   2.592
   19    HB3  PHE  -3           1HB      PHE  -3 -14.814  -3.674   4.073
   20    HD1  PHE  -3           1HD      PHE  -3 -13.717  -3.888   6.293
   21    HD2  PHE  -3           2HD      PHE  -3 -11.453  -3.830   2.643
   22    HE1  PHE  -3           1HE      PHE  -3 -11.648  -3.427   7.584
   23    HE2  PHE  -3           2HE      PHE  -3  -9.388  -3.364   3.932
   24    HZ   PHE  -3           HZ       PHE  -3  -9.486  -3.166   6.400
   25    H    LYS  -2           H        LYS  -2 -12.696  -7.129   5.004
   26    HA   LYS  -2           HA       LYS  -2 -14.691  -7.606   7.123
   27    HB2  LYS  -2           2HB      LYS  -2 -13.137  -9.413   6.330
   28    HB3  LYS  -2           1HB      LYS  -2 -11.791  -8.486   6.997
   29    HG2  LYS  -2           2HG      LYS  -2 -12.763  -8.609   9.233
   30    HG3  LYS  -2           1HG      LYS  -2 -14.185  -9.438   8.597
   31    HD2  LYS  -2           2HD      LYS  -2 -12.701 -11.108   9.538
   32    HD3  LYS  -2           1HD      LYS  -2 -12.672 -11.271   7.782
   33    HE2  LYS  -2           2HE      LYS  -2 -10.534 -10.353   7.598
   34    HE3  LYS  -2           1HE      LYS  -2 -10.663  -9.490   9.130
   35    HZ1  LYS  -2           3HZ      LYS  -2  -9.443 -11.187   9.895
   36    HZ2  LYS  -2           1HZ      LYS  -2  -9.851 -12.216   8.609
   37    HZ3  LYS  -2           2HZ      LYS  -2 -10.916 -12.034   9.920
   38    H    ALA  -1           H        ALA  -1 -14.797  -6.382   8.956
   39    HA   ALA  -1           HA       ALA  -1 -13.174  -4.052   9.298
   40    HB1  ALA  -1           1HB      ALA  -1 -14.165  -4.035  11.627
   41    HB2  ALA  -1           2HB      ALA  -1 -14.949  -5.564  11.229
   42    HB3  ALA  -1           3HB      ALA  -1 -15.350  -4.105  10.322
   43    H    GLY   1           H        GLY   1 -10.975  -4.573   9.338
   44    HA2  GLY   1           2HA      GLY   1 -10.015  -6.595  11.260
   45    HA3  GLY   1           1HA      GLY   1  -9.017  -5.721  10.098
   46    H    SER   2           H        SER   2  -7.776  -5.671  12.345
   47    HA   SER   2           HA       SER   2  -8.669  -3.276  13.894
   48    HB2  SER   2           2HB      SER   2  -8.235  -5.384  15.171
   49    HB3  SER   2           1HB      SER   2  -6.566  -5.344  14.610
   50    HG   SER   2           HG       SER   2  -7.730  -3.995  16.631
   51    H    ALA   3           H        ALA   3  -7.522  -1.417  13.667
   52    HA   ALA   3           HA       ALA   3  -5.400  -1.215  11.736
   53    HB1  ALA   3           1HB      ALA   3  -5.213   1.092  13.214
   54    HB2  ALA   3           2HB      ALA   3  -6.878   0.600  13.522
   55    HB3  ALA   3           3HB      ALA   3  -6.324   0.853  11.866
   56    H    LYS   4           H        LYS   4  -5.441  -1.755  15.194
   57    HA   LYS   4           HA       LYS   4  -2.843  -0.867  15.871
   58    HB2  LYS   4           2HB      LYS   4  -4.389  -3.253  16.925
   59    HB3  LYS   4           1HB      LYS   4  -2.948  -2.577  17.686
   60    HG2  LYS   4           2HG      LYS   4  -4.119  -0.379  17.859
   61    HG3  LYS   4           1HG      LYS   4  -5.575  -1.140  17.218
   62    HD2  LYS   4           2HD      LYS   4  -5.510  -2.769  19.112
   63    HD3  LYS   4           1HD      LYS   4  -4.137  -1.884  19.781
   64    HE2  LYS   4           2HE      LYS   4  -6.237  -0.023  19.146
   65    HE3  LYS   4           1HE      LYS   4  -6.894  -1.322  20.143
   66    HZ1  LYS   4           3HZ      LYS   4  -5.981   0.477  21.485
   67    HZ2  LYS   4           1HZ      LYS   4  -4.460   0.261  20.767
   68    HZ3  LYS   4           2HZ      LYS   4  -5.124  -0.970  21.732
   69    H    LYS   5           H        LYS   5  -3.847  -4.084  14.641
   70    HA   LYS   5           HA       LYS   5  -1.178  -5.157  14.630
   71    HB2  LYS   5           2HB      LYS   5  -3.614  -5.909  12.989
   72    HB3  LYS   5           1HB      LYS   5  -2.132  -6.861  13.072
   73    HG2  LYS   5           2HG      LYS   5  -2.419  -7.016  15.548
   74    HG3  LYS   5           1HG      LYS   5  -3.963  -6.177  15.389
   75    HD2  LYS   5           2HD      LYS   5  -4.736  -7.982  13.844
   76    HD3  LYS   5           1HD      LYS   5  -3.226  -8.842  14.146
   77    HE2  LYS   5           2HE      LYS   5  -4.032  -8.355  16.697
   78    HE3  LYS   5           1HE      LYS   5  -5.593  -8.513  15.894
   79    HZ1  LYS   5           3HZ      LYS   5  -4.318 -10.599  16.783
   80    HZ2  LYS   5           1HZ      LYS   5  -3.508 -10.482  15.297
   81    HZ3  LYS   5           2HZ      LYS   5  -5.197 -10.669  15.329
   82    H    GLY   6           H        GLY   6  -3.189  -3.861  11.970
   83    HA2  GLY   6           2HA      GLY   6  -1.114  -3.952  10.004
   84    HA3  GLY   6           1HA      GLY   6  -2.566  -2.956   9.902
   85    H    ALA   7           H        ALA   7  -1.908  -1.620  12.502
   86    HA   ALA   7           HA       ALA   7  -0.569   0.657  11.487
   87    HB1  ALA   7           1HB      ALA   7  -0.245   1.260  13.921
   88    HB2  ALA   7           2HB      ALA   7  -0.903  -0.323  14.333
   89    HB3  ALA   7           3HB      ALA   7  -1.905   0.855  13.486
   90    H    THR   8           H        THR   8   0.728  -1.992  13.503
   91    HA   THR   8           HA       THR   8   3.429  -0.933  13.414
   92    HB   THR   8           HB       THR   8   4.054  -3.034  14.476
   93    HG1  THR   8           1HG      THR   8   2.991  -4.616  13.521
   94   HG21  THR   8          3HG2      THR   8   1.317  -2.328  15.531
   95   HG22  THR   8          1HG2      THR   8   2.704  -1.259  15.733
   96   HG23  THR   8          2HG2      THR   8   2.726  -2.874  16.441
   97    H    LEU   9           H        LEU   9   1.598  -3.331  11.538
   98    HA   LEU   9           HA       LEU   9   3.768  -4.433  10.072
   99    HB2  LEU   9           2HB      LEU   9   1.405  -5.280   9.999
  100    HB3  LEU   9           1HB      LEU   9   0.971  -3.865   9.042
  101    HG   LEU   9           HG       LEU   9   2.835  -4.585   7.421
  102   HD11  LEU   9          1HD1      LEU   9   4.066  -6.186   8.652
  103   HD12  LEU   9          2HD1      LEU   9   3.125  -7.152   7.518
  104   HD13  LEU   9          3HD1      LEU   9   2.611  -7.017   9.197
  105   HD21  LEU   9          3HD2      LEU   9   0.123  -5.589   7.800
  106   HD22  LEU   9          1HD2      LEU   9   1.128  -6.733   6.909
  107   HD23  LEU   9          2HD2      LEU   9   0.930  -5.085   6.315
  108    H    PHE  10           H        PHE  10   1.800  -1.545   9.530
  109    HA   PHE  10           HA       PHE  10   3.028  -0.750   7.061
  110    HB2  PHE  10           2HB      PHE  10   0.872   0.165   7.979
  111    HB3  PHE  10           1HB      PHE  10   1.803   1.016   9.206
  112    HD1  PHE  10           2HD      PHE  10   1.101   0.766   5.578
  113    HD2  PHE  10           1HD      PHE  10   3.094   2.975   8.676
  114    HE1  PHE  10           2HE      PHE  10   1.511   2.628   3.989
  115    HE2  PHE  10           1HE      PHE  10   3.496   4.835   7.088
  116    HZ   PHE  10           HZ       PHE  10   2.712   4.663   4.750
  117    H    LYS  11           H        LYS  11   3.631   0.122  10.451
  118    HA   LYS  11           HA       LYS  11   5.814   1.899   9.983
  119    HB2  LYS  11           2HB      LYS  11   4.494   1.598  12.141
  120    HB3  LYS  11           1HB      LYS  11   5.437   0.134  12.412
  121    HG2  LYS  11           2HG      LYS  11   7.526   1.464  12.273
  122    HG3  LYS  11           1HG      LYS  11   6.563   2.928  12.071
  123    HD2  LYS  11           2HD      LYS  11   5.449   2.432  14.262
  124    HD3  LYS  11           1HD      LYS  11   6.566   1.083  14.475
  125    HE2  LYS  11           2HE      LYS  11   8.198   2.464  15.180
  126    HE3  LYS  11           1HE      LYS  11   8.013   3.484  13.752
  127    HZ1  LYS  11           3HZ      LYS  11   6.671   4.911  14.832
  128    HZ2  LYS  11           1HZ      LYS  11   7.443   4.299  16.212
  129    HZ3  LYS  11           2HZ      LYS  11   5.921   3.699  15.757
  130    H    THR  12           H        THR  12   5.701  -1.597  10.570
  131    HA   THR  12           HA       THR  12   8.565  -1.917  10.688
  132    HB   THR  12           HB       THR  12   8.102  -4.304  10.611
  133    HG1  THR  12           1HG      THR  12   6.509  -4.174   8.956
  134   HG21  THR  12          3HG2      THR  12   5.848  -3.962  12.229
  135   HG22  THR  12          1HG2      THR  12   6.724  -2.436  12.364
  136   HG23  THR  12          2HG2      THR  12   7.530  -3.954  12.762
  137    H    ARG  13           H        ARG  13   6.256  -1.969   8.001
  138    HA   ARG  13           HA       ARG  13   8.584  -2.129   6.179
  139    HB2  ARG  13           2HB      ARG  13   6.252  -4.059   6.116
  140    HB3  ARG  13           1HB      ARG  13   7.422  -3.889   4.809
  141    HG2  ARG  13           2HG      ARG  13   9.247  -4.409   6.448
  142    HG3  ARG  13           1HG      ARG  13   8.008  -4.723   7.665
  143    HD2  ARG  13           2HD      ARG  13   7.013  -6.432   6.106
  144    HD3  ARG  13           1HD      ARG  13   8.409  -6.204   5.052
  145    HE   ARG  13           HE       ARG  13   9.746  -7.372   6.634
  146   HH11  ARG  13          1HH2      ARG  13   6.609  -6.581   7.826
  147   HH12  ARG  13          2HH2      ARG  13   6.749  -7.575   9.238
  148   HH21  ARG  13          1HH1      ARG  13   9.946  -8.675   8.470
  149   HH22  ARG  13          2HH1      ARG  13   8.638  -8.761   9.602
  150    H    CYS  14           H        CYS  14   7.279   0.217   6.423
  151    HA   CYS  14           HA       CYS  14   6.231   0.648   3.787
  152    HB2  CYS  14           2HB      CYS  14   4.325  -0.529   5.204
  153    HB3  CYS  14           1HB      CYS  14   4.087   1.106   5.813
  154    H    LEU  15           H        LEU  15   5.839   1.933   7.106
  155    HA   LEU  15           HA       LEU  15   5.658   4.659   6.397
  156    HB2  LEU  15           2HB      LEU  15   5.256   3.759   8.687
  157    HB3  LEU  15           1HB      LEU  15   6.990   3.506   8.864
  158    HG   LEU  15           HG       LEU  15   7.212   6.031   8.301
  159   HD11  LEU  15          1HD1      LEU  15   4.980   6.505   7.533
  160   HD12  LEU  15          2HD1      LEU  15   5.172   7.312   9.086
  161   HD13  LEU  15          3HD1      LEU  15   4.271   5.801   8.988
  162   HD21  LEU  15          3HD2      LEU  15   7.626   5.045  10.525
  163   HD22  LEU  15          1HD2      LEU  15   5.903   5.141  10.886
  164   HD23  LEU  15          2HD2      LEU  15   6.843   6.618  10.664
  165    H    GLN  16           H        GLN  16   8.535   2.637   6.865
  166    HA   GLN  16           HA       GLN  16  10.489   4.684   6.826
  167    HB2  GLN  16           2HB      GLN  16  10.630   1.870   5.705
  168    HB3  GLN  16           1HB      GLN  16  12.026   2.917   5.957
  169    HG2  GLN  16           2HG      GLN  16  11.523   3.044   8.357
  170    HG3  GLN  16           1HG      GLN  16  10.097   2.031   8.123
  171   HE21  GLN  16          1HE2      GLN  16  12.193   1.180   9.859
  172   HE22  GLN  16          2HE2      GLN  16  12.965  -0.161   9.163
  173    H    CYS  17           H        CYS  17   8.766   3.122   4.158
  174    HA   CYS  17           HA       CYS  17  10.311   4.741   2.205
  175    HB2  CYS  17           2HB      CYS  17   8.276   2.531   1.860
  176    HB3  CYS  17           1HB      CYS  17   9.028   3.396   0.521
  177    H    HIS  18           H        HIS  18   6.943   4.214   3.256
  178    HA   HIS  18           HA       HIS  18   6.156   6.593   1.642
  179    HB2  HIS  18           2HB      HIS  18   4.576   4.308   2.844
  180    HB3  HIS  18           1HB      HIS  18   3.808   5.747   2.165
  181    HD1  HIS  18           1HD      HIS  18   4.462   6.244  -0.440
  182    HD2  HIS  18           2HD      HIS  18   5.282   2.420   0.978
  183    HE1  HIS  18           1HE      HIS  18   4.751   4.766  -2.488
  184    H    THR  19           H        THR  19   5.887   8.475   2.705
  185    HA   THR  19           HA       THR  19   5.802   8.519   5.640
  186    HB   THR  19           HB       THR  19   5.893  10.944   5.397
  187    HG1  THR  19           1HG      THR  19   5.958  11.670   3.097
  188   HG21  THR  19          3HG2      THR  19   8.043  11.050   4.578
  189   HG22  THR  19          1HG2      THR  19   7.662  10.079   3.155
  190   HG23  THR  19          2HG2      THR  19   7.886   9.299   4.721
  191    H    VAL  20           H        VAL  20   3.595   8.499   3.011
  192    HA   VAL  20           HA       VAL  20   1.293   8.979   2.872
  193    HB   VAL  20           HB       VAL  20   1.409   6.774   3.995
  194   HG11  VAL  20          1HG1      VAL  20   2.584   7.262   6.028
  195   HG12  VAL  20          2HG1      VAL  20   0.960   6.764   6.495
  196   HG13  VAL  20          3HG1      VAL  20   1.392   8.470   6.506
  197   HG21  VAL  20          3HG2      VAL  20  -0.839   6.811   4.063
  198   HG22  VAL  20          1HG2      VAL  20  -0.752   8.562   3.892
  199   HG23  VAL  20          2HG2      VAL  20  -0.831   7.835   5.496
  200    H    GLU  21           H        GLU  21   3.020  11.017   4.366
  201    HA   GLU  21           HA       GLU  21   0.851  12.232   6.030
  202    HB2  GLU  21           2HB      GLU  21   3.062  11.836   7.149
  203    HB3  GLU  21           1HB      GLU  21   3.803  12.929   5.980
  204    HG2  GLU  21           2HG      GLU  21   2.235  14.724   6.717
  205    HG3  GLU  21           1HG      GLU  21   1.607  13.631   7.950
  206    H    LYS  22           H        LYS  22  -0.161  13.987   5.165
  207    HA   LYS  22           HA       LYS  22   0.552  14.991   2.565
  208    HB2  LYS  22           2HB      LYS  22  -1.248  16.575   2.875
  209    HB3  LYS  22           1HB      LYS  22  -1.762  15.037   3.568
  210    HG2  LYS  22           2HG      LYS  22  -1.001  15.865   5.814
  211    HG3  LYS  22           1HG      LYS  22  -0.686  17.436   5.077
  212    HD2  LYS  22           2HD      LYS  22  -3.105  17.405   4.276
  213    HD3  LYS  22           1HD      LYS  22  -3.344  16.022   5.346
  214    HE2  LYS  22           2HE      LYS  22  -2.602  18.852   6.088
  215    HE3  LYS  22           1HE      LYS  22  -3.968  17.891   6.660
  216    HZ1  LYS  22           3HZ      LYS  22  -1.109  17.626   7.354
  217    HZ2  LYS  22           1HZ      LYS  22  -2.187  16.336   7.577
  218    HZ3  LYS  22           2HZ      LYS  22  -2.443  17.806   8.391
  219    H    GLY  23           H        GLY  23   1.065  16.217   5.860
  220    HA2  GLY  23           2HA      GLY  23   2.175  18.740   5.118
  221    HA3  GLY  23           1HA      GLY  23   2.480  17.915   6.645
  222    H    GLY  24           H        GLY  24   3.643  15.539   5.491
  223    HA2  GLY  24           2HA      GLY  24   6.338  16.579   5.052
  224    HA3  GLY  24           1HA      GLY  24   5.899  14.878   5.183
  225    HA   PRO  25           HA       PRO  25   6.231  16.289   0.614
  226    HB2  PRO  25           2HB      PRO  25   8.867  16.040   0.049
  227    HB3  PRO  25           1HB      PRO  25   8.196  17.534   0.731
  228    HG2  PRO  25           2HG      PRO  25   9.647  15.316   2.103
  229    HG3  PRO  25           1HG      PRO  25   9.827  17.069   2.295
  230    HD2  PRO  25           2HD      PRO  25   8.369  15.519   4.027
  231    HD3  PRO  25           1HD      PRO  25   8.021  17.236   3.721
  232    H    HIS  26           H        HIS  26   8.167  14.772  -0.925
  233    HA   HIS  26           HA       HIS  26   7.082  12.043  -0.449
  234    HB2  HIS  26           2HB      HIS  26   8.436  13.294  -2.858
  235    HB3  HIS  26           1HB      HIS  26   7.933  11.608  -2.777
  236    HD1  HIS  26           1HD      HIS  26   5.415  11.096  -2.929
  237    HD2  HIS  26           2HD      HIS  26   6.267  15.178  -2.997
  238    HE1  HIS  26           1HE      HIS  26   3.273  12.263  -3.615
  239    HE2  HIS  26           2HE      HIS  26   3.778  14.750  -3.649
  240    H    LYS  27           H        LYS  27   8.440  10.355   0.089
  241    HA   LYS  27           HA       LYS  27  11.323  11.041   0.447
  242    HB2  LYS  27           2HB      LYS  27   9.874  10.277   2.431
  243    HB3  LYS  27           1HB      LYS  27   9.873   8.687   1.670
  244    HG2  LYS  27           2HG      LYS  27  11.714   8.525   3.100
  245    HG3  LYS  27           1HG      LYS  27  12.479   9.024   1.592
  246    HD2  LYS  27           2HD      LYS  27  12.547  11.337   2.320
  247    HD3  LYS  27           1HD      LYS  27  11.611  10.950   3.764
  248    HE2  LYS  27           2HE      LYS  27  13.395   9.658   4.691
  249    HE3  LYS  27           1HE      LYS  27  14.277   9.658   3.164
  250    HZ1  LYS  27           3HZ      LYS  27  14.406  12.121   3.385
  251    HZ2  LYS  27           1HZ      LYS  27  15.274  11.267   4.566
  252    HZ3  LYS  27           2HZ      LYS  27  13.776  11.968   4.955
  253    H    VAL  28           H        VAL  28  11.332   7.859   0.775
  254    HA   VAL  28           HA       VAL  28  12.582   7.330  -1.737
  255    HB   VAL  28           HB       VAL  28  11.384   5.447   0.314
  256   HG11  VAL  28          1HG1      VAL  28  12.875   3.751  -0.824
  257   HG12  VAL  28          2HG1      VAL  28  13.095   4.915  -2.129
  258   HG13  VAL  28          3HG1      VAL  28  11.492   4.266  -1.787
  259   HG21  VAL  28          3HG2      VAL  28  13.528   7.084   0.595
  260   HG22  VAL  28          1HG2      VAL  28  14.307   5.691  -0.156
  261   HG23  VAL  28          2HG2      VAL  28  13.424   5.498   1.358
  262    H    GLY  29           H        GLY  29   9.280   6.722  -0.564
  263    HA2  GLY  29           2HA      GLY  29   8.507   6.112  -3.395
  264    HA3  GLY  29           1HA      GLY  29   7.756   5.313  -2.014
  265    HA   PRO  30           HA       PRO  30   5.614   9.415  -3.406
  266    HB2  PRO  30           2HB      PRO  30   3.279   8.096  -4.206
  267    HB3  PRO  30           1HB      PRO  30   4.545   8.697  -5.290
  268    HG2  PRO  30           2HG      PRO  30   4.060   5.950  -4.296
  269    HG3  PRO  30           1HG      PRO  30   4.666   6.499  -5.868
  270    HD2  PRO  30           2HD      PRO  30   6.321   5.453  -3.995
  271    HD3  PRO  30           1HD      PRO  30   6.849   6.740  -5.102
  272    H    ASN  31           H        ASN  31   4.151  10.415  -1.982
  273    HA   ASN  31           HA       ASN  31   3.530   8.992   0.479
  274    HB2  ASN  31           2HB      ASN  31   2.558  11.717  -0.430
  275    HB3  ASN  31           1HB      ASN  31   2.604  11.108   1.224
  276   HD21  ASN  31          1HD2      ASN  31   5.171   9.927   1.296
  277   HD22  ASN  31          2HD2      ASN  31   6.345  11.131   1.071
  278    H    LEU  32           H        LEU  32   1.461   8.382   1.227
  279    HA   LEU  32           HA       LEU  32  -0.572   8.067  -0.920
  280    HB2  LEU  32           2HB      LEU  32  -0.381   6.785   1.825
  281    HB3  LEU  32           1HB      LEU  32  -1.622   6.435   0.623
  282    HG   LEU  32           HG       LEU  32   0.196   5.762  -0.973
  283   HD11  LEU  32          1HD1      LEU  32   2.206   6.662  -0.333
  284   HD12  LEU  32          2HD1      LEU  32   2.349   5.124   0.514
  285   HD13  LEU  32          3HD1      LEU  32   1.828   6.566   1.385
  286   HD21  LEU  32          3HD2      LEU  32   0.887   3.833   0.960
  287   HD22  LEU  32          1HD2      LEU  32  -0.434   3.736  -0.205
  288   HD23  LEU  32          2HD2      LEU  32  -0.728   4.387   1.409
  289    H    HIS  33           H        HIS  33  -2.576   9.019  -0.770
  290    HA   HIS  33           HA       HIS  33  -3.748  10.028   1.638
  291    HB2  HIS  33           2HB      HIS  33  -1.908  11.703   1.420
  292    HB3  HIS  33           1HB      HIS  33  -2.527  12.138  -0.173
  293    HD1  HIS  33           1HD      HIS  33  -3.921  11.846   3.378
  294    HD2  HIS  33           2HD      HIS  33  -4.337  14.212  -0.033
  295    HE1  HIS  33           1HE      HIS  33  -5.578  13.672   3.968
  296    HE2  HIS  33           2HE      HIS  33  -5.837  15.117   1.900
  297    H    GLY  34           H        GLY  34  -5.640   9.135   0.813
  298    HA2  GLY  34           2HA      GLY  34  -7.708   9.380  -0.338
  299    HA3  GLY  34           1HA      GLY  34  -6.994  10.695  -1.278
  300    H    ILE  35           H        ILE  35  -4.929   8.055  -1.130
  301    HA   ILE  35           HA       ILE  35  -4.964   7.554  -3.919
  302    HB   ILE  35           HB       ILE  35  -3.149   6.945  -2.210
  303   HG12  ILE  35          2HG1      ILE  35  -3.933   4.693  -4.078
  304   HG13  ILE  35          1HG1      ILE  35  -3.276   6.222  -4.663
  305   HG21  ILE  35          1HG2      ILE  35  -4.828   5.685  -0.761
  306   HG22  ILE  35          2HG2      ILE  35  -3.315   4.840  -1.086
  307   HG23  ILE  35          3HG2      ILE  35  -4.776   4.406  -1.973
  308   HD11  ILE  35          3HD1      ILE  35  -1.337   5.829  -3.022
  309   HD12  ILE  35          1HD1      ILE  35  -1.391   4.792  -4.447
  310   HD13  ILE  35          2HD1      ILE  35  -1.938   4.176  -2.887
  311    H    PHE  36           H        PHE  36  -6.975   6.338  -1.355
  312    HA   PHE  36           HA       PHE  36  -7.893   3.943  -2.632
  313    HB2  PHE  36           2HB      PHE  36  -9.201   5.790  -0.614
  314    HB3  PHE  36           1HB      PHE  36  -9.875   4.237  -1.099
  315    HD1  PHE  36           1HD      PHE  36  -8.758   2.132  -0.518
  316    HD2  PHE  36           2HD      PHE  36  -7.175   5.922   0.760
  317    HE1  PHE  36           1HE      PHE  36  -7.291   0.971   1.108
  318    HE2  PHE  36           2HE      PHE  36  -5.710   4.752   2.390
  319    HZ   PHE  36           HZ       PHE  36  -5.770   2.280   2.558
  320    H    GLY  37           H        GLY  37  -9.325   3.702  -4.309
  321    HA2  GLY  37           2HA      GLY  37 -10.910   4.269  -5.954
  322    HA3  GLY  37           1HA      GLY  37 -11.415   5.600  -4.908
  323    H    ARG  38           H        ARG  38  -8.093   5.196  -5.944
  324    HA   ARG  38           HA       ARG  38  -8.414   7.476  -7.837
  325    HB2  ARG  38           2HB      ARG  38  -7.579   8.297  -5.645
  326    HB3  ARG  38           1HB      ARG  38  -6.222   7.180  -5.770
  327    HG2  ARG  38           2HG      ARG  38  -5.549   8.291  -7.900
  328    HG3  ARG  38           1HG      ARG  38  -6.849   9.460  -7.667
  329    HD2  ARG  38           2HD      ARG  38  -4.579   8.973  -5.717
  330    HD3  ARG  38           1HD      ARG  38  -4.671  10.326  -6.843
  331    HE   ARG  38           HE       ARG  38  -7.044  10.198  -5.205
  332   HH11  ARG  38          1HH2      ARG  38  -3.700  11.034  -5.256
  333   HH12  ARG  38          2HH2      ARG  38  -3.845  12.235  -4.017
  334   HH21  ARG  38          1HH1      ARG  38  -7.252  11.761  -3.586
  335   HH22  ARG  38          2HH1      ARG  38  -5.856  12.646  -3.071
  336    H    HIS  39           H        HIS  39  -6.807   7.537  -9.520
  337    HA   HIS  39           HA       HIS  39  -5.630   4.880 -10.082
  338    HB2  HIS  39           2HB      HIS  39  -5.913   7.374 -11.787
  339    HB3  HIS  39           1HB      HIS  39  -5.188   5.866 -12.342
  340    HD1  HIS  39           1HD      HIS  39  -8.485   7.394 -11.384
  341    HD2  HIS  39           2HD      HIS  39  -7.038   3.753 -12.816
  342    HE1  HIS  39           1HE      HIS  39 -10.511   6.044 -12.091
  343    HE2  HIS  39           2HE      HIS  39  -9.641   3.827 -12.964
  344    H    SER  40           H        SER  40  -3.378   4.593 -10.368
  345    HA   SER  40           HA       SER  40  -1.672   6.311  -8.823
  346    HB2  SER  40           2HB      SER  40   0.104   4.851  -9.456
  347    HB3  SER  40           1HB      SER  40  -1.327   3.831  -9.345
  348    HG   SER  40           HG       SER  40  -0.874   3.333 -11.332
  349    H    GLY  41           H        GLY  41   0.182   7.534  -9.640
  350    HA2  GLY  41           2HA      GLY  41   1.351   8.779 -11.314
  351    HA3  GLY  41           1HA      GLY  41   0.108   8.329 -12.478
  352    H    GLN  42           H        GLN  42  -1.987   9.143 -10.405
  353    HA   GLN  42           HA       GLN  42  -2.456  11.775 -11.396
  354    HB2  GLN  42           2HB      GLN  42  -4.186  10.214 -10.416
  355    HB3  GLN  42           1HB      GLN  42  -3.561  10.633  -8.820
  356    HG2  GLN  42           2HG      GLN  42  -4.005  13.032  -9.300
  357    HG3  GLN  42           1HG      GLN  42  -4.698  12.573 -10.855
  358   HE21  GLN  42          1HE2      GLN  42  -6.894  11.987 -10.866
  359   HE22  GLN  42          2HE2      GLN  42  -7.819  11.717  -9.469
  360    H    ALA  43           H        ALA  43  -0.873  10.655  -8.418
  361    HA   ALA  43           HA       ALA  43  -0.753  13.160  -7.084
  362    HB1  ALA  43           1HB      ALA  43  -0.124  10.989  -6.041
  363    HB2  ALA  43           2HB      ALA  43   1.126  12.215  -5.826
  364    HB3  ALA  43           3HB      ALA  43   1.326  10.953  -7.042
  365    H    GLU  44           H        GLU  44   1.510  11.699  -9.406
  366    HA   GLU  44           HA       GLU  44   3.216  12.659 -10.690
  367    HB2  GLU  44           2HB      GLU  44   1.533  15.146 -10.268
  368    HB3  GLU  44           1HB      GLU  44   2.817  14.975 -11.463
  369    HG2  GLU  44           2HG      GLU  44   1.589  13.062 -12.474
  370    HG3  GLU  44           1HG      GLU  44   0.281  13.321 -11.320
  371    H    GLY  45           H        GLY  45   2.597  13.875  -7.515
  372    HA2  GLY  45           2HA      GLY  45   4.639  15.815  -7.246
  373    HA3  GLY  45           1HA      GLY  45   4.046  14.805  -5.928
  374    H    TYR  46           H        TYR  46   4.782  12.289  -7.185
  375    HA   TYR  46           HA       TYR  46   7.766  12.496  -7.055
  376    HB2  TYR  46           2HB      TYR  46   6.738  11.479  -5.007
  377    HB3  TYR  46           1HB      TYR  46   6.055  10.217  -6.029
  378    HD1  TYR  46           1HD      TYR  46   9.276  11.794  -5.002
  379    HD2  TYR  46           2HD      TYR  46   7.346   8.343  -6.679
  380    HE1  TYR  46           1HE      TYR  46  11.413  10.543  -4.882
  381    HE2  TYR  46           2HE      TYR  46   9.485   7.091  -6.562
  382    HH   TYR  46           HH       TYR  46  11.783   7.396  -6.361
  383    H    SER  47           H        SER  47   8.901  11.244  -8.563
  384    HA   SER  47           HA       SER  47   7.545  10.571 -10.993
  385    HB2  SER  47           2HB      SER  47   9.669   9.809 -11.778
  386    HB3  SER  47           1HB      SER  47  10.014  11.154 -10.696
  387    HG   SER  47           HG       SER  47  11.153   8.957 -10.489
  388    H    TYR  48           H        TYR  48   7.400   8.411 -11.968
  389    HA   TYR  48           HA       TYR  48   6.982   6.268  -9.920
  390    HB2  TYR  48           2HB      TYR  48   5.453   6.890 -12.459
  391    HB3  TYR  48           1HB      TYR  48   5.279   5.370 -11.582
  392    HD1  TYR  48           2HD      TYR  48   4.710   9.017 -11.459
  393    HD2  TYR  48           1HD      TYR  48   4.207   5.279  -9.406
  394    HE1  TYR  48           2HE      TYR  48   3.125  10.095  -9.881
  395    HE2  TYR  48           1HE      TYR  48   2.626   6.355  -7.831
  396    HH   TYR  48           HH       TYR  48   1.421   8.191  -7.409
  397    H    THR  49           H        THR  49   7.712   4.174 -10.467
  398    HA   THR  49           HA       THR  49   9.916   4.098 -12.370
  399    HB   THR  49           HB       THR  49  10.241   1.819 -11.616
  400    HG1  THR  49           1HG      THR  49   8.641   0.664 -10.911
  401   HG21  THR  49          3HG2      THR  49   9.546   2.516  -8.982
  402   HG22  THR  49          1HG2      THR  49   9.895   4.040  -9.798
  403   HG23  THR  49          2HG2      THR  49  11.106   2.759  -9.769
  404    H    ASP  50           H        ASP  50  10.023   2.357 -14.061
  405    HA   ASP  50           HA       ASP  50   7.959   2.596 -15.964
  406    HB2  ASP  50           2HB      ASP  50  10.034   0.431 -15.605
  407    HB3  ASP  50           1HB      ASP  50   9.006   0.571 -17.030
  408    H    ALA  51           H        ALA  51   8.355   0.306 -13.329
  409    HA   ALA  51           HA       ALA  51   6.567  -1.712 -14.084
  410    HB1  ALA  51           1HB      ALA  51   6.386  -0.812 -11.260
  411    HB2  ALA  51           2HB      ALA  51   7.999  -1.209 -11.848
  412    HB3  ALA  51           3HB      ALA  51   6.717  -2.414 -11.916
  413    H    ASN  52           H        ASN  52   5.513   0.734 -11.691
  414    HA   ASN  52           HA       ASN  52   2.755   0.342 -12.147
  415    HB2  ASN  52           2HB      ASN  52   3.691   1.575 -10.203
  416    HB3  ASN  52           1HB      ASN  52   4.099   2.915 -11.274
  417   HD21  ASN  52          1HD2      ASN  52   1.294   1.050 -10.001
  418   HD22  ASN  52          2HD2      ASN  52   0.164   2.289 -10.273
  419    H    ILE  53           H        ILE  53   4.958   2.688 -13.709
  420    HA   ILE  53           HA       ILE  53   2.971   4.054 -15.211
  421    HB   ILE  53           HB       ILE  53   5.857   3.473 -15.939
  422   HG12  ILE  53          2HG1      ILE  53   4.624   5.897 -14.595
  423   HG13  ILE  53          1HG1      ILE  53   5.482   4.620 -13.733
  424   HG21  ILE  53          1HG2      ILE  53   5.022   5.954 -16.940
  425   HG22  ILE  53          2HG2      ILE  53   3.702   4.843 -17.304
  426   HG23  ILE  53          3HG2      ILE  53   5.332   4.490 -17.873
  427   HD11  ILE  53          3HD1      ILE  53   6.858   6.690 -14.372
  428   HD12  ILE  53          1HD1      ILE  53   6.743   6.116 -16.035
  429   HD13  ILE  53          2HD1      ILE  53   7.539   5.125 -14.813
  430    H    LYS  54           H        LYS  54   4.931   1.187 -16.024
  431    HA   LYS  54           HA       LYS  54   3.898   0.795 -18.649
  432    HB2  LYS  54           2HB      LYS  54   5.887  -0.394 -17.693
  433    HB3  LYS  54           1HB      LYS  54   4.789  -1.348 -16.694
  434    HG2  LYS  54           2HG      LYS  54   3.649  -2.150 -18.751
  435    HG3  LYS  54           1HG      LYS  54   4.809  -1.247 -19.726
  436    HD2  LYS  54           2HD      LYS  54   6.653  -2.549 -18.632
  437    HD3  LYS  54           1HD      LYS  54   5.426  -3.527 -17.827
  438    HE2  LYS  54           2HE      LYS  54   4.483  -4.057 -20.114
  439    HE3  LYS  54           1HE      LYS  54   5.902  -3.272 -20.807
  440    HZ1  LYS  54           3HZ      LYS  54   6.866  -4.993 -18.887
  441    HZ2  LYS  54           1HZ      LYS  54   6.948  -5.195 -20.570
  442    HZ3  LYS  54           2HZ      LYS  54   5.658  -5.871 -19.695
  443    H    LYS  55           H        LYS  55   2.719  -0.219 -15.473
  444    HA   LYS  55           HA       LYS  55   0.162  -1.046 -16.789
  445    HB2  LYS  55           2HB      LYS  55   1.442  -3.025 -15.994
  446    HB3  LYS  55           1HB      LYS  55   1.471  -2.335 -14.372
  447    HG2  LYS  55           2HG      LYS  55  -1.002  -2.360 -14.321
  448    HG3  LYS  55           1HG      LYS  55  -1.023  -3.078 -15.933
  449    HD2  LYS  55           2HD      LYS  55   0.329  -4.991 -15.031
  450    HD3  LYS  55           1HD      LYS  55   0.152  -4.298 -13.418
  451    HE2  LYS  55           2HE      LYS  55  -1.976  -5.455 -15.211
  452    HE3  LYS  55           1HE      LYS  55  -1.615  -5.849 -13.530
  453    HZ1  LYS  55           3HZ      LYS  55  -3.583  -4.508 -13.629
  454    HZ2  LYS  55           1HZ      LYS  55  -2.791  -3.318 -14.542
  455    HZ3  LYS  55           2HZ      LYS  55  -2.336  -3.591 -12.928
  456    H    ASN  56           H        ASN  56  -1.425   0.320 -16.124
  457    HA   ASN  56           HA       ASN  56  -1.083   1.707 -13.514
  458    HB2  ASN  56           2HB      ASN  56  -1.582   3.042 -15.605
  459    HB3  ASN  56           1HB      ASN  56  -3.163   2.256 -15.649
  460   HD21  ASN  56          1HD2      ASN  56  -1.087   3.962 -13.230
  461   HD22  ASN  56          2HD2      ASN  56  -2.371   4.798 -12.499
  462    H    VAL  57           H        VAL  57  -2.445   1.296 -11.823
  463    HA   VAL  57           HA       VAL  57  -4.774  -0.508 -12.331
  464    HB   VAL  57           HB       VAL  57  -2.886  -1.797 -11.396
  465   HG11  VAL  57          1HG1      VAL  57  -3.063  -0.322  -8.815
  466   HG12  VAL  57          2HG1      VAL  57  -2.189   0.473 -10.122
  467   HG13  VAL  57          3HG1      VAL  57  -1.678  -1.118  -9.562
  468   HG21  VAL  57          3HG2      VAL  57  -4.777  -1.439  -9.098
  469   HG22  VAL  57          1HG2      VAL  57  -4.183  -2.928  -9.832
  470   HG23  VAL  57          2HG2      VAL  57  -5.427  -1.979 -10.646
  471    H    LEU  58           H        LEU  58  -6.578  -0.149 -10.990
  472    HA   LEU  58           HA       LEU  58  -6.727   2.519  -9.789
  473    HB2  LEU  58           2HB      LEU  58  -8.658   1.594 -11.022
  474    HB3  LEU  58           1HB      LEU  58  -8.757   0.261  -9.871
  475    HG   LEU  58           HG       LEU  58  -9.132   1.908  -8.038
  476   HD11  LEU  58          1HD1      LEU  58  -9.940   4.216  -9.241
  477   HD12  LEU  58          2HD1      LEU  58  -8.586   3.763 -10.277
  478   HD13  LEU  58          3HD1      LEU  58  -8.337   3.982  -8.544
  479   HD21  LEU  58          3HD2      LEU  58 -11.255   1.329  -8.552
  480   HD22  LEU  58          1HD2      LEU  58 -10.919   1.359 -10.284
  481   HD23  LEU  58          2HD2      LEU  58 -11.342   2.850  -9.442
  482    H    TRP  59           H        TRP  59  -6.529   2.955  -7.622
  483    HA   TRP  59           HA       TRP  59  -5.925   0.646  -5.866
  484    HB2  TRP  59           2HB      TRP  59  -5.470   3.623  -5.569
  485    HB3  TRP  59           1HB      TRP  59  -5.127   2.456  -4.288
  486    HD1  TRP  59           HD       TRP  59  -3.774   3.813  -7.516
  487    HE1  TRP  59           1HE      TRP  59  -1.554   2.631  -8.094
  488    HE3  TRP  59           3HE      TRP  59  -3.834   0.080  -4.042
  489    HZ2  TRP  59           2HZ      TRP  59  -0.010   0.397  -7.199
  490    HZ3  TRP  59           3HZ      TRP  59  -1.980  -1.552  -3.920
  491    HH2  TRP  59           HH       TRP  59  -0.068  -1.401  -5.494
  492    H    ASP  60           H        ASP  60  -7.373  -0.070  -4.459
  493    HA   ASP  60           HA       ASP  60  -9.274   1.696  -3.111
  494    HB2  ASP  60           2HB      ASP  60 -10.336   1.119  -5.361
  495    HB3  ASP  60           1HB      ASP  60 -10.376  -0.557  -4.811
  496    H    GLU  61           H        GLU  61 -10.776   0.115  -1.692
  497    HA   GLU  61           HA       GLU  61  -9.068  -1.357   0.010
  498    HB2  GLU  61           2HB      GLU  61 -12.045  -1.692  -0.465
  499    HB3  GLU  61           1HB      GLU  61 -11.163  -2.412   0.881
  500    HG2  GLU  61           2HG      GLU  61 -10.451  -0.142   1.600
  501    HG3  GLU  61           1HG      GLU  61 -11.414   0.550   0.294
  502    H    ASN  62           H        ASN  62 -11.019  -2.461  -2.752
  503    HA   ASN  62           HA       ASN  62 -10.383  -5.257  -2.406
  504    HB2  ASN  62           2HB      ASN  62 -12.317  -4.445  -3.742
  505    HB3  ASN  62           1HB      ASN  62 -11.193  -3.775  -4.925
  506   HD21  ASN  62          1HD2      ASN  62 -10.235  -5.213  -6.437
  507   HD22  ASN  62          2HD2      ASN  62 -10.557  -6.880  -6.472
  508    H    ASN  63           H        ASN  63  -9.136  -2.790  -4.671
  509    HA   ASN  63           HA       ASN  63  -7.133  -4.449  -5.831
  510    HB2  ASN  63           2HB      ASN  63  -7.963  -2.260  -6.744
  511    HB3  ASN  63           1HB      ASN  63  -7.012  -1.446  -5.500
  512   HD21  ASN  63          1HD2      ASN  63  -4.871  -0.993  -6.046
  513   HD22  ASN  63          2HD2      ASN  63  -4.021  -1.722  -7.320
  514    H    MET  64           H        MET  64  -7.020  -2.298  -3.006
  515    HA   MET  64           HA       MET  64  -4.218  -2.394  -2.570
  516    HB2  MET  64           2HB      MET  64  -6.528  -2.150  -0.631
  517    HB3  MET  64           1HB      MET  64  -4.841  -1.994  -0.140
  518    HG2  MET  64           2HG      MET  64  -5.932  -0.368  -2.428
  519    HG3  MET  64           1HG      MET  64  -6.140   0.170  -0.761
  520    HE1  MET  64           3HE      MET  64  -5.291   2.063  -1.808
  521    HE2  MET  64           1HE      MET  64  -3.614   2.448  -2.217
  522    HE3  MET  64           2HE      MET  64  -4.125   2.407  -0.531
  523    H    SER  65           H        SER  65  -6.776  -4.634  -1.523
  524    HA   SER  65           HA       SER  65  -5.043  -6.285   0.061
  525    HB2  SER  65           2HB      SER  65  -6.833  -7.939  -0.033
  526    HB3  SER  65           1HB      SER  65  -7.534  -6.341   0.194
  527    HG   SER  65           HG       SER  65  -8.059  -6.291  -1.970
  528    H    GLU  66           H        GLU  66  -5.943  -6.340  -3.371
  529    HA   GLU  66           HA       GLU  66  -4.675  -8.847  -3.976
  530    HB2  GLU  66           2HB      GLU  66  -6.316  -7.689  -5.473
  531    HB3  GLU  66           1HB      GLU  66  -5.085  -6.473  -5.819
  532    HG2  GLU  66           2HG      GLU  66  -5.007  -8.104  -7.596
  533    HG3  GLU  66           1HG      GLU  66  -3.577  -8.347  -6.592
  534    H    HIS  67           H        HIS  67  -3.527  -5.506  -3.888
  535    HA   HIS  67           HA       HIS  67  -0.987  -5.906  -5.099
  536    HB2  HIS  67           2HB      HIS  67  -1.972  -3.690  -4.595
  537    HB3  HIS  67           1HB      HIS  67  -1.725  -3.984  -2.873
  538    HD1  HIS  67           1HD      HIS  67   0.434  -4.100  -6.020
  539    HD2  HIS  67           2HD      HIS  67   0.679  -2.905  -2.046
  540    HE1  HIS  67           1HE      HIS  67   2.751  -3.130  -5.715
  541    HE2  HIS  67           2HE      HIS  67   2.913  -2.402  -3.290
  542    H    LEU  68           H        LEU  68  -1.962  -6.121  -1.680
  543    HA   LEU  68           HA       LEU  68   0.667  -6.816  -0.732
  544    HB2  LEU  68           2HB      LEU  68  -2.050  -7.336   0.509
  545    HB3  LEU  68           1HB      LEU  68  -0.503  -7.427   1.346
  546    HG   LEU  68           HG       LEU  68  -1.646  -4.949   0.029
  547   HD11  LEU  68          1HD1      LEU  68  -2.854  -5.390   2.054
  548   HD12  LEU  68          2HD1      LEU  68  -1.661  -4.151   2.443
  549   HD13  LEU  68          3HD1      LEU  68  -1.375  -5.827   2.912
  550   HD21  LEU  68          3HD2      LEU  68   0.613  -4.526  -0.097
  551   HD22  LEU  68          1HD2      LEU  68   1.001  -5.651   1.204
  552   HD23  LEU  68          2HD2      LEU  68   0.353  -4.055   1.581
  553    H    THR  69           H        THR  69  -2.116  -8.732  -1.816
  554    HA   THR  69           HA       THR  69  -1.214 -11.259  -0.880
  555    HB   THR  69           HB       THR  69  -2.782 -10.748  -3.418
  556    HG1  THR  69           1HG      THR  69  -4.376 -11.376  -1.477
  557   HG21  THR  69          3HG2      THR  69  -2.349 -13.111  -1.600
  558   HG22  THR  69          1HG2      THR  69  -2.219 -13.032  -3.359
  559   HG23  THR  69          2HG2      THR  69  -3.805 -12.985  -2.589
  560    H    ASN  70           H        ASN  70  -0.470  -9.548  -3.908
  561    HA   ASN  70           HA       ASN  70   1.903 -11.275  -4.226
  562    HB2  ASN  70           2HB      ASN  70  -0.478 -11.318  -6.046
  563    HB3  ASN  70           1HB      ASN  70   1.131 -11.523  -6.739
  564   HD21  ASN  70          1HD2      ASN  70  -1.425 -13.244  -5.364
  565   HD22  ASN  70          2HD2      ASN  70  -0.577 -14.643  -4.908
  566    HA   PRO  71           HA       PRO  71   2.213  -6.734  -5.492
  567    HB2  PRO  71           2HB      PRO  71   4.613  -6.365  -4.136
  568    HB3  PRO  71           1HB      PRO  71   3.009  -5.946  -3.510
  569    HG2  PRO  71           2HG      PRO  71   4.716  -8.293  -2.923
  570    HG3  PRO  71           1HG      PRO  71   3.585  -7.420  -1.877
  571    HD2  PRO  71           2HD      PRO  71   3.009  -9.846  -2.982
  572    HD3  PRO  71           1HD      PRO  71   1.764  -8.647  -2.597
  573    H    ALA  72           H        ALA  72   4.173  -9.561  -5.765
  574    HA   ALA  72           HA       ALA  72   6.330  -8.411  -7.309
  575    HB1  ALA  72           1HB      ALA  72   6.400 -10.963  -8.101
  576    HB2  ALA  72           2HB      ALA  72   5.342 -11.162  -6.703
  577    HB3  ALA  72           3HB      ALA  72   6.953 -10.476  -6.497
  578    H    LYS  73           H        LYS  73   4.095 -10.863  -8.603
  579    HA   LYS  73           HA       LYS  73   4.366 -10.034 -11.297
  580    HB2  LYS  73           2HB      LYS  73   3.402 -12.220 -10.551
  581    HB3  LYS  73           1HB      LYS  73   1.942 -11.365 -10.052
  582    HG2  LYS  73           2HG      LYS  73   1.657 -10.539 -12.378
  583    HG3  LYS  73           1HG      LYS  73   3.077 -11.465 -12.863
  584    HD2  LYS  73           2HD      LYS  73   1.934 -13.540 -12.036
  585    HD3  LYS  73           1HD      LYS  73   0.487 -12.575 -11.743
  586    HE2  LYS  73           2HE      LYS  73   0.396 -13.715 -13.945
  587    HE3  LYS  73           1HE      LYS  73   0.390 -11.960 -14.117
  588    HZ1  LYS  73           3HZ      LYS  73   3.045 -12.911 -14.047
  589    HZ2  LYS  73           1HZ      LYS  73   2.252 -12.061 -15.282
  590    HZ3  LYS  73           2HZ      LYS  73   2.176 -13.758 -15.235
  591    H    TYR  74           H        TYR  74   2.137  -8.962  -8.788
  592    HA   TYR  74           HA       TYR  74   0.283  -7.526 -10.361
  593    HB2  TYR  74           2HB      TYR  74   0.010  -7.912  -7.961
  594    HB3  TYR  74           1HB      TYR  74   1.403  -6.892  -7.620
  595    HD1  TYR  74           1HD      TYR  74  -2.073  -6.887  -8.960
  596    HD2  TYR  74           2HD      TYR  74   1.235  -4.534  -7.572
  597    HE1  TYR  74           1HE      TYR  74  -3.538  -4.886  -8.851
  598    HE2  TYR  74           2HE      TYR  74  -0.224  -2.542  -7.464
  599    HH   TYR  74           HH       TYR  74  -2.259  -1.764  -7.658
  600    H    ILE  75           H        ILE  75   3.335  -6.325  -8.896
  601    HA   ILE  75           HA       ILE  75   3.603  -4.445 -11.158
  602    HB   ILE  75           HB       ILE  75   3.252  -3.579  -8.283
  603   HG12  ILE  75          2HG1      ILE  75   2.228  -2.490 -10.928
  604   HG13  ILE  75          1HG1      ILE  75   1.314  -3.538  -9.851
  605   HG21  ILE  75          1HG2      ILE  75   5.137  -2.312  -8.598
  606   HG22  ILE  75          2HG2      ILE  75   4.045  -1.285  -9.516
  607   HG23  ILE  75          3HG2      ILE  75   5.065  -2.446 -10.352
  608   HD11  ILE  75          3HD1      ILE  75   0.571  -1.393  -9.248
  609   HD12  ILE  75          1HD1      ILE  75   2.178  -0.691  -9.414
  610   HD13  ILE  75          2HD1      ILE  75   1.812  -1.733  -8.042
  611    HA   PRO  76           HA       PRO  76   7.601  -6.189  -9.686
  612    HB2  PRO  76           2HB      PRO  76   8.261  -7.537 -11.931
  613    HB3  PRO  76           1HB      PRO  76   7.142  -8.206 -10.729
  614    HG2  PRO  76           2HG      PRO  76   6.581  -7.042 -13.387
  615    HG3  PRO  76           1HG      PRO  76   5.721  -8.309 -12.500
  616    HD2  PRO  76           2HD      PRO  76   4.970  -5.579 -12.680
  617    HD3  PRO  76           1HD      PRO  76   4.274  -6.797 -11.591
  618    H    GLY  77           H        GLY  77   9.737  -5.469 -10.261
  619    HA2  GLY  77           2HA      GLY  77  11.316  -4.419 -11.771
  620    HA3  GLY  77           1HA      GLY  77   9.958  -3.737 -12.661
  621    H    THR  78           H        THR  78   9.288  -3.376  -9.414
  622    HA   THR  78           HA       THR  78  10.298  -0.569  -9.495
  623    HB   THR  78           HB       THR  78   7.873  -0.757  -9.236
  624    HG1  THR  78           1HG      THR  78   9.341   0.022  -6.954
  625   HG21  THR  78          3HG2      THR  78   7.826  -3.012  -8.236
  626   HG22  THR  78          1HG2      THR  78   6.910  -1.859  -7.265
  627   HG23  THR  78          2HG2      THR  78   8.520  -2.361  -6.751
  628    H    LYS  79           H        LYS  79  10.713   0.274  -7.125
  629    HA   LYS  79           HA       LYS  79  12.781  -1.498  -6.015
  630    HB2  LYS  79           2HB      LYS  79  11.951   1.315  -5.251
  631    HB3  LYS  79           1HB      LYS  79  13.360   0.462  -4.624
  632    HG2  LYS  79           2HG      LYS  79  14.186   0.220  -6.983
  633    HG3  LYS  79           1HG      LYS  79  12.849   1.245  -7.505
  634    HD2  LYS  79           2HD      LYS  79  14.917   2.068  -5.449
  635    HD3  LYS  79           1HD      LYS  79  14.987   2.509  -7.157
  636    HE2  LYS  79           2HE      LYS  79  12.579   3.416  -6.797
  637    HE3  LYS  79           1HE      LYS  79  12.973   3.355  -5.079
  638    HZ1  LYS  79           3HZ      LYS  79  15.006   4.555  -6.742
  639    HZ2  LYS  79           1HZ      LYS  79  14.372   5.074  -5.257
  640    HZ3  LYS  79           2HZ      LYS  79  13.540   5.415  -6.700
  641    H    MET  80           H        MET  80   9.611  -1.648  -5.565
  642    HA   MET  80           HA       MET  80   9.343  -1.357  -2.700
  643    HB2  MET  80           2HB      MET  80   7.698  -2.936  -4.700
  644    HB3  MET  80           1HB      MET  80   7.254  -2.713  -3.008
  645    HG2  MET  80           2HG      MET  80   7.859  -0.138  -3.922
  646    HG3  MET  80           1HG      MET  80   6.953  -0.873  -5.238
  647    HE1  MET  80           3HE      MET  80   4.625  -2.194  -4.826
  648    HE2  MET  80           1HE      MET  80   4.697  -0.542  -5.452
  649    HE3  MET  80           2HE      MET  80   3.476  -0.983  -4.261
  650    H    ALA  81           H        ALA  81  10.211  -2.661  -1.195
  651    HA   ALA  81           HA       ALA  81  11.033  -5.415  -1.995
  652    HB1  ALA  81           1HB      ALA  81  12.728  -3.765  -1.016
  653    HB2  ALA  81           2HB      ALA  81  12.628  -5.333  -0.217
  654    HB3  ALA  81           3HB      ALA  81  11.853  -3.924   0.506
  655    H    PHE  82           H        PHE  82   8.291  -4.505  -1.222
  656    HA   PHE  82           HA       PHE  82   7.855  -5.712   1.429
  657    HB2  PHE  82           2HB      PHE  82   6.574  -3.705   0.582
  658    HB3  PHE  82           1HB      PHE  82   5.806  -4.768  -0.596
  659    HD1  PHE  82           1HD      PHE  82   4.225  -6.502   0.105
  660    HD2  PHE  82           2HD      PHE  82   6.078  -3.889   2.963
  661    HE1  PHE  82           1HE      PHE  82   2.566  -7.195   1.811
  662    HE2  PHE  82           2HE      PHE  82   4.421  -4.583   4.671
  663    HZ   PHE  82           HZ       PHE  82   2.664  -6.234   4.094
  664    H    GLY  83           H        GLY  83   7.325  -7.834   1.714
  665    HA2  GLY  83           2HA      GLY  83   7.031  -9.540  -0.672
  666    HA3  GLY  83           1HA      GLY  83   7.195 -10.106   0.990
  667    H    GLY  84           H        GLY  84   5.286 -11.419  -0.249
  668    HA2  GLY  84           2HA      GLY  84   2.718  -9.989   0.006
  669    HA3  GLY  84           1HA      GLY  84   2.924 -11.626  -0.616
  670    H    LEU  85           H        LEU  85   1.017 -10.774   1.439
  671    HA   LEU  85           HA       LEU  85   2.143 -12.029   3.892
  672    HB2  LEU  85           2HB      LEU  85  -0.521 -10.632   3.496
  673    HB3  LEU  85           1HB      LEU  85   0.184 -11.129   5.036
  674    HG   LEU  85           HG       LEU  85   1.325  -9.069   3.125
  675   HD11  LEU  85          1HD1      LEU  85  -0.685  -8.479   4.610
  676   HD12  LEU  85          2HD1      LEU  85   0.740  -7.454   4.772
  677   HD13  LEU  85          3HD1      LEU  85   0.404  -8.695   5.980
  678   HD21  LEU  85          3HD2      LEU  85   2.406 -10.453   5.561
  679   HD22  LEU  85          1HD2      LEU  85   2.837  -8.766   5.276
  680   HD23  LEU  85          2HD2      LEU  85   3.242  -9.993   4.076
  681    H    LYS  86           H        LYS  86   1.731 -14.150   4.221
  682    HA   LYS  86           HA       LYS  86   0.015 -15.682   2.508
  683    HB2  LYS  86           2HB      LYS  86   1.179 -16.366   5.225
  684    HB3  LYS  86           1HB      LYS  86   0.435 -17.524   4.121
  685    HG2  LYS  86           2HG      LYS  86   2.124 -16.813   2.381
  686    HG3  LYS  86           1HG      LYS  86   2.936 -15.884   3.641
  687    HD2  LYS  86           2HD      LYS  86   2.381 -18.863   3.780
  688    HD3  LYS  86           1HD      LYS  86   3.933 -18.150   3.342
  689    HE2  LYS  86           2HE      LYS  86   3.447 -16.826   5.659
  690    HE3  LYS  86           1HE      LYS  86   2.630 -18.351   5.998
  691    HZ1  LYS  86           3HZ      LYS  86   4.913 -18.500   6.671
  692    HZ2  LYS  86           1HZ      LYS  86   5.450 -18.011   5.139
  693    HZ3  LYS  86           2HZ      LYS  86   4.672 -19.511   5.326
  694    H    LYS  87           H        LYS  87  -0.467 -14.259   5.729
  695    HA   LYS  87           HA       LYS  87  -3.156 -15.469   5.879
  696    HB2  LYS  87           2HB      LYS  87  -1.634 -13.690   7.800
  697    HB3  LYS  87           1HB      LYS  87  -3.246 -14.338   8.108
  698    HG2  LYS  87           2HG      LYS  87  -2.312 -16.646   7.770
  699    HG3  LYS  87           1HG      LYS  87  -0.703 -15.927   7.666
  700    HD2  LYS  87           2HD      LYS  87  -1.055 -14.916   9.922
  701    HD3  LYS  87           1HD      LYS  87  -2.598 -15.768  10.024
  702    HE2  LYS  87           2HE      LYS  87  -0.620 -16.933  11.140
  703    HE3  LYS  87           1HE      LYS  87  -1.524 -17.906   9.980
  704    HZ1  LYS  87           3HZ      LYS  87   0.882 -16.352   9.230
  705    HZ2  LYS  87           1HZ      LYS  87   0.113 -17.576   8.344
  706    HZ3  LYS  87           2HZ      LYS  87   0.962 -17.963   9.763
  707    H    GLU  88           H        GLU  88  -4.960 -14.417   5.295
  708    HA   GLU  88           HA       GLU  88  -4.811 -11.756   4.137
  709    HB2  GLU  88           2HB      GLU  88  -7.175 -13.553   4.753
  710    HB3  GLU  88           1HB      GLU  88  -7.276 -12.042   3.845
  711    HG2  GLU  88           2HG      GLU  88  -5.655 -12.949   2.196
  712    HG3  GLU  88           1HG      GLU  88  -5.635 -14.475   3.080
  713    H    LYS  89           H        LYS  89  -5.798 -13.090   7.239
  714    HA   LYS  89           HA       LYS  89  -7.382 -10.977   8.222
  715    HB2  LYS  89           2HB      LYS  89  -5.381 -12.696   9.714
  716    HB3  LYS  89           1HB      LYS  89  -6.620 -11.703  10.478
  717    HG2  LYS  89           2HG      LYS  89  -8.359 -12.968   9.203
  718    HG3  LYS  89           1HG      LYS  89  -7.088 -14.017   8.577
  719    HD2  LYS  89           2HD      LYS  89  -6.468 -14.597  10.929
  720    HD3  LYS  89           1HD      LYS  89  -7.842 -13.644  11.490
  721    HE2  LYS  89           2HE      LYS  89  -8.347 -16.094  11.301
  722    HE3  LYS  89           1HE      LYS  89  -9.396 -15.087  10.305
  723    HZ1  LYS  89           3HZ      LYS  89  -8.488 -17.060   9.144
  724    HZ2  LYS  89           1HZ      LYS  89  -6.932 -16.407   9.311
  725    HZ3  LYS  89           2HZ      LYS  89  -8.100 -15.589   8.389
  726    H    ASP  90           H        ASP  90  -3.824 -11.343   8.485
  727    HA   ASP  90           HA       ASP  90  -3.413  -8.816   9.768
  728    HB2  ASP  90           2HB      ASP  90  -1.577 -10.500   8.040
  729    HB3  ASP  90           1HB      ASP  90  -1.053  -9.092   8.960
  730    H    ARG  91           H        ARG  91  -3.538  -9.818   6.387
  731    HA   ARG  91           HA       ARG  91  -2.638  -7.422   5.169
  732    HB2  ARG  91           2HB      ARG  91  -3.057  -9.600   4.006
  733    HB3  ARG  91           1HB      ARG  91  -4.789  -9.306   4.161
  734    HG2  ARG  91           2HG      ARG  91  -4.488  -7.163   2.905
  735    HG3  ARG  91           1HG      ARG  91  -2.795  -7.596   2.656
  736    HD2  ARG  91           2HD      ARG  91  -5.188  -9.217   1.740
  737    HD3  ARG  91           1HD      ARG  91  -4.135  -8.256   0.704
  738    HE   ARG  91           HE       ARG  91  -2.333  -9.924   1.859
  739   HH11  ARG  91          1HH2      ARG  91  -5.460 -10.430   0.495
  740   HH12  ARG  91          2HH2      ARG  91  -5.119 -12.046  -0.022
  741   HH21  ARG  91          1HH1      ARG  91  -1.870 -12.031   1.191
  742   HH22  ARG  91          2HH1      ARG  91  -3.086 -12.953   0.371
  743    H    ASN  92           H        ASN  92  -5.917  -8.370   6.214
  744    HA   ASN  92           HA       ASN  92  -7.274  -6.087   5.194
  745    HB2  ASN  92           2HB      ASN  92  -7.855  -7.872   7.569
  746    HB3  ASN  92           1HB      ASN  92  -8.961  -6.626   6.999
  747   HD21  ASN  92          1HD2      ASN  92  -9.306  -6.804   4.431
  748   HD22  ASN  92          2HD2      ASN  92  -9.595  -8.378   3.865
  749    H    ASP  93           H        ASP  93  -5.603  -6.609   8.296
  750    HA   ASP  93           HA       ASP  93  -6.438  -4.192   9.538
  751    HB2  ASP  93           2HB      ASP  93  -3.918  -5.838   9.876
  752    HB3  ASP  93           1HB      ASP  93  -4.412  -4.538  10.951
  753    H    LEU  94           H        LEU  94  -3.674  -4.906   7.406
  754    HA   LEU  94           HA       LEU  94  -2.347  -2.412   7.702
  755    HB2  LEU  94           2HB      LEU  94  -1.385  -4.399   6.536
  756    HB3  LEU  94           1HB      LEU  94  -2.501  -4.116   5.200
  757    HG   LEU  94           HG       LEU  94  -1.538  -1.850   4.890
  758   HD11  LEU  94          1HD1      LEU  94   0.823  -1.705   6.129
  759   HD12  LEU  94          2HD1      LEU  94  -0.017  -2.702   7.317
  760   HD13  LEU  94          3HD1      LEU  94  -0.654  -1.113   6.889
  761   HD21  LEU  94          3HD2      LEU  94   0.972  -3.266   4.776
  762   HD22  LEU  94          1HD2      LEU  94  -0.101  -2.819   3.451
  763   HD23  LEU  94          2HD2      LEU  94  -0.337  -4.347   4.300
  764    H    ILE  95           H        ILE  95  -4.934  -3.386   5.449
  765    HA   ILE  95           HA       ILE  95  -5.013  -0.880   4.047
  766    HB   ILE  95           HB       ILE  95  -7.216  -2.911   4.464
  767   HG12  ILE  95          2HG1      ILE  95  -5.252  -2.597   2.173
  768   HG13  ILE  95          1HG1      ILE  95  -5.107  -3.808   3.448
  769   HG21  ILE  95          1HG2      ILE  95  -7.046  -0.362   3.032
  770   HG22  ILE  95          2HG2      ILE  95  -8.465  -1.331   3.430
  771   HG23  ILE  95          3HG2      ILE  95  -7.522  -1.700   1.987
  772   HD11  ILE  95          3HD1      ILE  95  -6.527  -4.100   1.066
  773   HD12  ILE  95          1HD1      ILE  95  -7.775  -3.789   2.272
  774   HD13  ILE  95          2HD1      ILE  95  -6.659  -5.137   2.487
  775    H    THR  96           H        THR  96  -6.691  -2.100   6.919
  776    HA   THR  96           HA       THR  96  -8.538   0.040   7.228
  777    HB   THR  96           HB       THR  96  -7.191  -1.508   9.456
  778    HG1  THR  96           1HG      THR  96  -8.188  -3.157   8.673
  779   HG21  THR  96          3HG2      THR  96  -8.697  -0.542  10.824
  780   HG22  THR  96          1HG2      THR  96 -10.019  -0.873   9.704
  781   HG23  THR  96          2HG2      THR  96  -9.040   0.581   9.507
  782    H    TYR  97           H        TYR  97  -5.186  -0.311   8.379
  783    HA   TYR  97           HA       TYR  97  -5.089   2.024   9.981
  784    HB2  TYR  97           2HB      TYR  97  -3.321   0.259   9.868
  785    HB3  TYR  97           1HB      TYR  97  -2.848   0.883   8.289
  786    HD1  TYR  97           1HD      TYR  97  -3.213   1.807  11.879
  787    HD2  TYR  97           2HD      TYR  97  -1.449   2.785   8.090
  788    HE1  TYR  97           1HE      TYR  97  -1.795   3.518  12.982
  789    HE2  TYR  97           2HE      TYR  97  -0.033   4.500   9.188
  790    HH   TYR  97           HH       TYR  97   0.442   5.549  11.085
  791    H    LEU  98           H        LEU  98  -4.167   1.671   6.527
  792    HA   LEU  98           HA       LEU  98  -3.753   4.518   6.207
  793    HB2  LEU  98           2HB      LEU  98  -4.158   2.307   4.171
  794    HB3  LEU  98           1HB      LEU  98  -3.707   3.963   3.762
  795    HG   LEU  98           HG       LEU  98  -2.119   2.129   5.586
  796   HD11  LEU  98          1HD1      LEU  98  -1.262   1.275   3.683
  797   HD12  LEU  98          2HD1      LEU  98  -0.650   2.883   3.291
  798   HD13  LEU  98          3HD1      LEU  98  -2.236   2.374   2.706
  799   HD21  LEU  98          3HD2      LEU  98  -0.448   4.129   4.812
  800   HD22  LEU  98          1HD2      LEU  98  -1.399   4.186   6.295
  801   HD23  LEU  98          2HD2      LEU  98  -1.981   5.000   4.845
  802    H    LYS  99           H        LYS  99  -6.451   2.317   5.607
  803    HA   LYS  99           HA       LYS  99  -8.104   4.072   4.132
  804    HB2  LYS  99           2HB      LYS  99  -8.557   1.642   4.501
  805    HB3  LYS  99           1HB      LYS  99  -8.998   2.009   6.168
  806    HG2  LYS  99           2HG      LYS  99 -11.077   1.991   5.089
  807    HG3  LYS  99           1HG      LYS  99 -10.674   3.706   5.092
  808    HD2  LYS  99           2HD      LYS  99  -9.801   3.508   2.788
  809    HD3  LYS  99           1HD      LYS  99 -10.195   1.789   2.791
  810    HE2  LYS  99           2HE      LYS  99 -12.598   2.684   3.469
  811    HE3  LYS  99           1HE      LYS  99 -12.023   4.156   2.684
  812    HZ1  LYS  99           3HZ      LYS  99 -12.798   1.658   1.521
  813    HZ2  LYS  99           1HZ      LYS  99 -11.273   2.171   0.984
  814    HZ3  LYS  99           2HZ      LYS  99 -12.624   3.184   0.795
  815    H    LYS 100           H        LYS 100  -7.890   3.652   7.689
  816    HA   LYS 100           HA       LYS 100  -9.940   5.509   8.347
  817    HB2  LYS 100           2HB      LYS 100  -7.399   4.773   9.823
  818    HB3  LYS 100           1HB      LYS 100  -8.673   5.778  10.515
  819    HG2  LYS 100           2HG      LYS 100 -10.300   3.941  10.142
  820    HG3  LYS 100           1HG      LYS 100  -8.995   2.932   9.521
  821    HD2  LYS 100           2HD      LYS 100  -7.805   3.152  11.679
  822    HD3  LYS 100           1HD      LYS 100  -9.134   4.129  12.300
  823    HE2  LYS 100           2HE      LYS 100 -10.174   1.693  11.155
  824    HE3  LYS 100           1HE      LYS 100  -8.919   1.308  12.333
  825    HZ1  LYS 100           3HZ      LYS 100 -11.325   1.647  13.137
  826    HZ2  LYS 100           1HZ      LYS 100 -10.993   3.302  12.968
  827    HZ3  LYS 100           2HZ      LYS 100 -10.060   2.353  14.024
  828    H    ALA 101           H        ALA 101  -6.438   6.014   8.042
  829    HA   ALA 101           HA       ALA 101  -6.255   8.308   6.606
  830    HB1  ALA 101           1HB      ALA 101  -7.392   8.906   9.299
  831    HB2  ALA 101           2HB      ALA 101  -7.700   9.699   7.753
  832    HB3  ALA 101           3HB      ALA 101  -6.211  10.032   8.635
  833    H    THR 102           H        THR 102  -4.379   6.638   6.823
  834    HA   THR 102           HA       THR 102  -2.120   6.301   7.402
  835    HB   THR 102           HB       THR 102  -0.862   8.214   7.741
  836    HG1  THR 102           1HG      THR 102  -1.295   9.631   9.290
  837   HG21  THR 102          3HG2      THR 102  -3.306   9.833   7.213
  838   HG22  THR 102          1HG2      THR 102  -2.918   8.564   6.053
  839   HG23  THR 102          2HG2      THR 102  -1.751   9.842   6.384
  840    H    GLU 103           H        GLU 103  -4.608   6.591   9.569
  841    HA   GLU 103           HA       GLU 103  -2.889   5.976  11.923
  842    HB2  GLU 103           2HB      GLU 103  -5.787   6.852  11.740
  843    HB3  GLU 103           1HB      GLU 103  -4.979   6.412  13.245
  844    HG2  GLU 103           2HG      GLU 103  -3.291   8.188  12.836
  845    HG3  GLU 103           1HG      GLU 103  -4.160   8.654  11.375
  846    HHA  HEC 201           HA       HEC 104   4.486   3.323  -6.046
  847    HHB  HEC 201           HB       HEC 104   0.940   0.625  -1.585
  848    HHC  HEC 201           HC       HEC 104   6.132  -0.538   1.837
  849    HHD  HEC 201           HD       HEC 104   9.681   2.179  -2.639
  850   HMA1  HEC 201          1HMA      HEC 104  -0.211   2.465  -2.727
  851   HMA2  HEC 201          2HMA      HEC 104  -0.456   1.112  -3.830
  852   HMA3  HEC 201          3HMA      HEC 104  -0.360   2.754  -4.458
  853   HAA1  HEC 201          1HAA      HEC 104   2.401   1.977  -6.913
  854   HAA2  HEC 201          2HAA      HEC 104   0.782   2.367  -6.366
  855   HBA1  HEC 201          1HBA      HEC 104   2.521   4.079  -7.699
  856   HBA2  HEC 201          2HBA      HEC 104   2.616   4.611  -6.021
  857   HMB1  HEC 201          1HMB      HEC 104   0.735  -1.299  -0.439
  858   HMB2  HEC 201          2HMB      HEC 104   1.276  -2.039   1.055
  859   HMB3  HEC 201          3HMB      HEC 104   0.386  -0.518   1.099
  860    HAB  HEC 201           HAB      HEC 104   4.417  -1.241   3.016
  861   HBB1  HEC 201          1HBB      HEC 104   2.395  -1.478   4.402
  862   HBB2  HEC 201          2HBB      HEC 104   2.308  -2.471   2.952
  863   HBB3  HEC 201          3HBB      HEC 104   1.406  -0.956   3.048
  864   HMC1  HEC 201          1HMC      HEC 104   8.656  -1.720   1.274
  865   HMC2  HEC 201          2HMC      HEC 104   8.410  -0.538   2.559
  866   HMC3  HEC 201          3HMC      HEC 104   9.951  -0.602   1.705
  867    HAC  HEC 201           HAC      HEC 104  10.766   2.206  -0.729
  868   HBC1  HEC 201          1HBC      HEC 104  11.072  -0.595  -0.687
  869   HBC2  HEC 201          2HBC      HEC 104  12.339   0.608  -0.929
  870   HBC3  HEC 201          3HBC      HEC 104  11.990   0.008   0.693
  871   HMD1  HEC 201          1HMD      HEC 104   9.652   3.734  -6.091
  872   HMD2  HEC 201          2HMD      HEC 104   9.824   2.048  -5.602
  873   HMD3  HEC 201          3HMD      HEC 104  10.297   3.341  -4.497
  874   HAD1  HEC 201          1HAD      HEC 104   7.782   5.120  -6.386
  875   HAD2  HEC 201          2HAD      HEC 104   6.067   4.807  -6.570
  876   HBD1  HEC 201          1HBD      HEC 104   8.109   4.186  -8.388
  877   HBD2  HEC 201          2HBD      HEC 104   7.628   2.639  -7.695
  Start of MODEL    5
    1    H1   THR  -5           1HT      THR  -5 -17.889 -10.931   4.186
    2    H2   THR  -5           2HT      THR  -5 -17.407 -11.690   2.745
    3    H3   THR  -5           3HT      THR  -5 -18.977 -11.058   2.891
    4    HA   THR  -5           HA       THR  -5 -18.083  -9.343   1.751
    5    HB   THR  -5           HB       THR  -5 -17.266  -7.602   3.333
    6    HG1  THR  -5           1HG      THR  -5 -17.299  -9.783   5.145
    7   HG21  THR  -5          1HG2      THR  -5 -19.499  -9.229   4.565
    8   HG22  THR  -5          2HG2      THR  -5 -19.708  -8.250   3.113
    9   HG23  THR  -5          3HG2      THR  -5 -19.276  -7.481   4.639
   10    H    GLU  -4           H        GLU  -4 -16.391  -9.144   0.370
   11    HA   GLU  -4           HA       GLU  -4 -13.944 -10.545   0.651
   12    HB2  GLU  -4           2HB      GLU  -4 -14.852  -9.636  -1.501
   13    HB3  GLU  -4           1HB      GLU  -4 -14.404  -8.018  -0.960
   14    HG2  GLU  -4           2HG      GLU  -4 -12.042  -8.787  -0.730
   15    HG3  GLU  -4           1HG      GLU  -4 -12.517 -10.354  -1.384
   16    H    PHE  -3           H        PHE  -3 -14.865  -7.283   1.639
   17    HA   PHE  -3           HA       PHE  -3 -12.102  -6.822   2.647
   18    HB2  PHE  -3           2HB      PHE  -3 -13.175  -5.034   1.280
   19    HB3  PHE  -3           1HB      PHE  -3 -14.449  -4.908   2.493
   20    HD1  PHE  -3           1HD      PHE  -3 -10.817  -4.454   1.877
   21    HD2  PHE  -3           2HD      PHE  -3 -14.085  -3.788   4.585
   22    HE1  PHE  -3           1HE      PHE  -3  -9.398  -2.919   3.211
   23    HE2  PHE  -3           2HE      PHE  -3 -12.665  -2.253   5.920
   24    HZ   PHE  -3           HZ       PHE  -3 -10.323  -1.819   5.232
   25    H    LYS  -2           H        LYS  -2 -11.693  -7.021   4.801
   26    HA   LYS  -2           HA       LYS  -2 -14.001  -7.507   6.610
   27    HB2  LYS  -2           2HB      LYS  -2 -11.041  -7.825   7.188
   28    HB3  LYS  -2           1HB      LYS  -2 -12.382  -8.458   8.140
   29    HG2  LYS  -2           2HG      LYS  -2 -11.787  -9.250   5.274
   30    HG3  LYS  -2           1HG      LYS  -2 -11.324 -10.193   6.688
   31    HD2  LYS  -2           2HD      LYS  -2 -13.800 -10.178   7.335
   32    HD3  LYS  -2           1HD      LYS  -2 -14.116  -9.565   5.712
   33    HE2  LYS  -2           2HE      LYS  -2 -13.203 -11.521   4.689
   34    HE3  LYS  -2           1HE      LYS  -2 -12.517 -12.081   6.214
   35    HZ1  LYS  -2           3HZ      LYS  -2 -14.422 -13.318   6.091
   36    HZ2  LYS  -2           1HZ      LYS  -2 -15.311 -12.100   5.314
   37    HZ3  LYS  -2           2HZ      LYS  -2 -14.984 -11.981   6.977
   38    H    ALA  -1           H        ALA  -1 -14.392  -6.187   8.403
   39    HA   ALA  -1           HA       ALA  -1 -13.605  -3.452   8.258
   40    HB1  ALA  -1           1HB      ALA  -1 -15.062  -3.169   9.983
   41    HB2  ALA  -1           2HB      ALA  -1 -14.308  -4.439  10.948
   42    HB3  ALA  -1           3HB      ALA  -1 -15.475  -4.859   9.694
   43    H    GLY   1           H        GLY   1 -11.909  -2.340   9.213
   44    HA2  GLY   1           2HA      GLY   1  -9.461  -3.492   9.747
   45    HA3  GLY   1           1HA      GLY   1  -9.974  -1.997  10.530
   46    H    SER   2           H        SER   2  -9.269  -5.309  11.015
   47    HA   SER   2           HA       SER   2 -10.803  -5.927  13.311
   48    HB2  SER   2           2HB      SER   2  -7.931  -6.742  12.789
   49    HB3  SER   2           1HB      SER   2  -9.081  -7.569  13.835
   50    HG   SER   2           HG       SER   2  -9.590  -8.617  12.088
   51    H    ALA   3           H        ALA   3  -7.816  -4.044  12.991
   52    HA   ALA   3           HA       ALA   3  -8.265  -2.464  15.277
   53    HB1  ALA   3           1HB      ALA   3  -6.873  -5.066  15.806
   54    HB2  ALA   3           2HB      ALA   3  -8.025  -4.192  16.814
   55    HB3  ALA   3           3HB      ALA   3  -6.357  -3.633  16.694
   56    H    LYS   4           H        LYS   4  -5.702  -2.016  16.234
   57    HA   LYS   4           HA       LYS   4  -4.465  -0.778  13.879
   58    HB2  LYS   4           2HB      LYS   4  -3.692  -0.743  16.811
   59    HB3  LYS   4           1HB      LYS   4  -2.908   0.211  15.552
   60    HG2  LYS   4           2HG      LYS   4  -5.118   1.254  15.027
   61    HG3  LYS   4           1HG      LYS   4  -5.818   0.376  16.387
   62    HD2  LYS   4           2HD      LYS   4  -4.151   1.468  17.895
   63    HD3  LYS   4           1HD      LYS   4  -3.583   2.420  16.523
   64    HE2  LYS   4           2HE      LYS   4  -6.100   2.663  18.081
   65    HE3  LYS   4           1HE      LYS   4  -5.140   3.913  17.289
   66    HZ1  LYS   4           3HZ      LYS   4  -6.054   3.393  15.214
   67    HZ2  LYS   4           1HZ      LYS   4  -7.378   3.382  16.275
   68    HZ3  LYS   4           2HZ      LYS   4  -6.695   1.916  15.756
   69    H    LYS   5           H        LYS   5  -4.347  -3.837  14.983
   70    HA   LYS   5           HA       LYS   5  -1.618  -4.479  15.332
   71    HB2  LYS   5           2HB      LYS   5  -3.526  -6.092  15.570
   72    HB3  LYS   5           1HB      LYS   5  -3.660  -6.133  13.813
   73    HG2  LYS   5           2HG      LYS   5  -1.303  -6.905  13.670
   74    HG3  LYS   5           1HG      LYS   5  -1.222  -6.925  15.432
   75    HD2  LYS   5           2HD      LYS   5  -3.149  -8.531  15.446
   76    HD3  LYS   5           1HD      LYS   5  -3.051  -8.595  13.686
   77    HE2  LYS   5           2HE      LYS   5  -0.716  -9.388  13.846
   78    HE3  LYS   5           1HE      LYS   5  -0.822  -9.334  15.606
   79    HZ1  LYS   5           3HZ      LYS   5  -1.589 -11.398  15.491
   80    HZ2  LYS   5           1HZ      LYS   5  -1.761 -11.330  13.803
   81    HZ3  LYS   5           2HZ      LYS   5  -3.014 -10.771  14.807
   82    H    GLY   6           H        GLY   6  -3.499  -4.107  12.328
   83    HA2  GLY   6           2HA      GLY   6  -1.394  -4.785  10.525
   84    HA3  GLY   6           1HA      GLY   6  -2.769  -3.752  10.126
   85    H    ALA   7           H        ALA   7  -2.107  -1.880  12.349
   86    HA   ALA   7           HA       ALA   7  -0.539  -0.012  10.896
   87    HB1  ALA   7           1HB      ALA   7  -2.121   0.350  12.935
   88    HB2  ALA   7           2HB      ALA   7  -0.694   1.376  12.787
   89    HB3  ALA   7           3HB      ALA   7  -0.686   0.010  13.903
   90    H    THR   8           H        THR   8   0.387  -2.177  13.585
   91    HA   THR   8           HA       THR   8   3.106  -1.338  13.723
   92    HB   THR   8           HB       THR   8   2.061  -4.140  14.235
   93    HG1  THR   8           1HG      THR   8   0.900  -3.207  15.701
   94   HG21  THR   8          3HG2      THR   8   4.604  -2.919  14.457
   95   HG22  THR   8          1HG2      THR   8   4.125  -4.521  15.015
   96   HG23  THR   8          2HG2      THR   8   3.996  -3.134  16.097
   97    H    LEU   9           H        LEU   9   1.478  -3.834  11.771
   98    HA   LEU   9           HA       LEU   9   3.780  -4.950  10.541
   99    HB2  LEU   9           2HB      LEU   9   1.438  -5.820  10.286
  100    HB3  LEU   9           1HB      LEU   9   1.083  -4.445   9.240
  101    HG   LEU   9           HG       LEU   9   3.388  -5.412   8.109
  102   HD11  LEU   9          1HD1      LEU   9   1.755  -7.858   8.787
  103   HD12  LEU   9          2HD1      LEU   9   3.134  -7.363   9.770
  104   HD13  LEU   9          3HD1      LEU   9   3.366  -7.781   8.072
  105   HD21  LEU   9          3HD2      LEU   9   1.950  -6.237   6.339
  106   HD22  LEU   9          1HD2      LEU   9   1.208  -4.789   7.012
  107   HD23  LEU   9          2HD2      LEU   9   0.589  -6.379   7.452
  108    H    PHE  10           H        PHE  10   1.847  -2.096   9.758
  109    HA   PHE  10           HA       PHE  10   3.216  -1.340   7.364
  110    HB2  PHE  10           2HB      PHE  10   1.041  -0.376   8.215
  111    HB3  PHE  10           1HB      PHE  10   1.962   0.487   9.441
  112    HD1  PHE  10           2HD      PHE  10   1.443   0.111   5.781
  113    HD2  PHE  10           1HD      PHE  10   3.193   2.460   8.921
  114    HE1  PHE  10           2HE      PHE  10   1.925   1.922   4.159
  115    HE2  PHE  10           1HE      PHE  10   3.664   4.271   7.297
  116    HZ   PHE  10           HZ       PHE  10   3.041   3.999   4.920
  117    H    LYS  11           H        LYS  11   3.680  -0.441  10.769
  118    HA   LYS  11           HA       LYS  11   5.962   1.238  10.377
  119    HB2  LYS  11           2HB      LYS  11   4.501   1.042  12.469
  120    HB3  LYS  11           1HB      LYS  11   5.383  -0.441  12.827
  121    HG2  LYS  11           2HG      LYS  11   7.517   0.820  12.764
  122    HG3  LYS  11           1HG      LYS  11   6.614   2.306  12.470
  123    HD2  LYS  11           2HD      LYS  11   5.365   1.891  14.613
  124    HD3  LYS  11           1HD      LYS  11   6.450   0.536  14.924
  125    HE2  LYS  11           2HE      LYS  11   7.236   3.446  14.603
  126    HE3  LYS  11           1HE      LYS  11   7.303   2.493  16.086
  127    HZ1  LYS  11           3HZ      LYS  11   9.470   2.652  15.012
  128    HZ2  LYS  11           1HZ      LYS  11   8.845   1.931  13.610
  129    HZ3  LYS  11           2HZ      LYS  11   8.925   1.045  15.057
  130    H    THR  12           H        THR  12   5.596  -2.230  10.935
  131    HA   THR  12           HA       THR  12   8.361  -2.810  11.365
  132    HB   THR  12           HB       THR  12   7.739  -5.133  10.979
  133    HG1  THR  12           1HG      THR  12   6.432  -5.242   9.309
  134   HG21  THR  12          3HG2      THR  12   6.821  -4.984  13.026
  135   HG22  THR  12          1HG2      THR  12   5.266  -4.661  12.256
  136   HG23  THR  12          2HG2      THR  12   6.315  -3.322  12.720
  137    H    ARG  13           H        ARG  13   6.438  -2.698   8.348
  138    HA   ARG  13           HA       ARG  13   8.974  -2.524   6.864
  139    HB2  ARG  13           2HB      ARG  13   7.012  -4.791   6.444
  140    HB3  ARG  13           1HB      ARG  13   8.293  -4.378   5.306
  141    HG2  ARG  13           2HG      ARG  13   9.946  -4.657   7.199
  142    HG3  ARG  13           1HG      ARG  13   8.620  -5.292   8.176
  143    HD2  ARG  13           2HD      ARG  13   8.215  -7.014   6.393
  144    HD3  ARG  13           1HD      ARG  13   9.674  -6.446   5.582
  145    HE   ARG  13           HE       ARG  13  10.923  -7.646   7.175
  146   HH11  ARG  13          1HH2      ARG  13   7.745  -6.939   8.309
  147   HH12  ARG  13          2HH2      ARG  13   7.925  -7.839   9.778
  148   HH21  ARG  13          1HH1      ARG  13  11.178  -8.825   9.086
  149   HH22  ARG  13          2HH1      ARG  13   9.868  -8.906  10.218
  150    H    CYS  14           H        CYS  14   7.489  -0.390   6.869
  151    HA   CYS  14           HA       CYS  14   6.579  -0.109   4.154
  152    HB2  CYS  14           2HB      CYS  14   4.645  -1.346   5.404
  153    HB3  CYS  14           1HB      CYS  14   4.337   0.233   6.124
  154    H    LEU  15           H        LEU  15   6.224   1.194   7.452
  155    HA   LEU  15           HA       LEU  15   5.823   3.904   6.726
  156    HB2  LEU  15           2HB      LEU  15   5.543   3.037   9.030
  157    HB3  LEU  15           1HB      LEU  15   7.287   2.820   9.150
  158    HG   LEU  15           HG       LEU  15   7.466   5.336   8.609
  159   HD11  LEU  15          1HD1      LEU  15   4.517   5.073   9.230
  160   HD12  LEU  15          2HD1      LEU  15   5.257   5.814   7.809
  161   HD13  LEU  15          3HD1      LEU  15   5.394   6.593   9.383
  162   HD21  LEU  15          3HD2      LEU  15   6.085   4.543  11.184
  163   HD22  LEU  15          1HD2      LEU  15   7.151   5.928  10.942
  164   HD23  LEU  15          2HD2      LEU  15   7.800   4.290  10.858
  165    H    GLN  16           H        GLN  16   8.810   2.036   7.084
  166    HA   GLN  16           HA       GLN  16  10.655   4.181   6.938
  167    HB2  GLN  16           2HB      GLN  16  10.892   1.355   5.862
  168    HB3  GLN  16           1HB      GLN  16  12.243   2.478   6.037
  169    HG2  GLN  16           2HG      GLN  16  11.831   2.625   8.454
  170    HG3  GLN  16           1HG      GLN  16  10.453   1.536   8.296
  171   HE21  GLN  16          1HE2      GLN  16  12.660   0.833   9.960
  172   HE22  GLN  16          2HE2      GLN  16  13.473  -0.481   9.257
  173    H    CYS  17           H        CYS  17   8.905   2.475   4.372
  174    HA   CYS  17           HA       CYS  17  10.300   4.099   2.324
  175    HB2  CYS  17           2HB      CYS  17   8.263   1.870   2.099
  176    HB3  CYS  17           1HB      CYS  17   8.959   2.721   0.721
  177    H    HIS  18           H        HIS  18   6.992   3.580   3.568
  178    HA   HIS  18           HA       HIS  18   6.138   5.990   2.019
  179    HB2  HIS  18           2HB      HIS  18   4.581   3.658   3.179
  180    HB3  HIS  18           1HB      HIS  18   3.807   5.104   2.524
  181    HD1  HIS  18           1HD      HIS  18   4.557   5.661  -0.091
  182    HD2  HIS  18           2HD      HIS  18   5.193   1.782   1.292
  183    HE1  HIS  18           1HE      HIS  18   4.816   4.194  -2.152
  184    H    THR  19           H        THR  19   5.882   7.829   3.175
  185    HA   THR  19           HA       THR  19   5.850   7.703   6.121
  186    HB   THR  19           HB       THR  19   6.187  10.089   6.044
  187    HG1  THR  19           1HG      THR  19   5.546   9.823   3.294
  188   HG21  THR  19          3HG2      THR  19   7.817   9.638   3.688
  189   HG22  THR  19          1HG2      THR  19   7.869   8.246   4.770
  190   HG23  THR  19          2HG2      THR  19   8.317   9.843   5.367
  191    H    VAL  20           H        VAL  20   3.620   8.223   3.494
  192    HA   VAL  20           HA       VAL  20   1.327   8.733   3.477
  193    HB   VAL  20           HB       VAL  20   1.145   7.711   6.290
  194   HG11  VAL  20          1HG1      VAL  20  -0.420   7.029   3.787
  195   HG12  VAL  20          2HG1      VAL  20  -0.845   8.362   4.862
  196   HG13  VAL  20          3HG1      VAL  20  -0.879   6.703   5.459
  197   HG21  VAL  20          3HG2      VAL  20   1.961   6.132   3.839
  198   HG22  VAL  20          1HG2      VAL  20   1.249   5.379   5.266
  199   HG23  VAL  20          2HG2      VAL  20   2.793   6.221   5.392
  200    H    GLU  21           H        GLU  21   3.063  10.870   4.396
  201    HA   GLU  21           HA       GLU  21   1.410  12.133   6.538
  202    HB2  GLU  21           2HB      GLU  21   4.120  12.909   5.414
  203    HB3  GLU  21           1HB      GLU  21   3.272  13.775   6.694
  204    HG2  GLU  21           2HG      GLU  21   3.276  11.708   8.069
  205    HG3  GLU  21           1HG      GLU  21   4.193  10.892   6.804
  206    H    LYS  22           H        LYS  22   0.474  14.202   6.168
  207    HA   LYS  22           HA       LYS  22  -0.502  14.693   3.534
  208    HB2  LYS  22           2HB      LYS  22  -1.404  16.756   4.428
  209    HB3  LYS  22           1HB      LYS  22  -1.552  15.517   5.673
  210    HG2  LYS  22           2HG      LYS  22   0.599  16.338   6.669
  211    HG3  LYS  22           1HG      LYS  22   0.591  17.655   5.495
  212    HD2  LYS  22           2HD      LYS  22  -1.732  18.246   6.364
  213    HD3  LYS  22           1HD      LYS  22  -1.424  17.121   7.686
  214    HE2  LYS  22           2HE      LYS  22   0.121  19.631   7.002
  215    HE3  LYS  22           1HE      LYS  22  -0.775  19.287   8.483
  216    HZ1  LYS  22           3HZ      LYS  22   1.900  18.648   7.842
  217    HZ2  LYS  22           1HZ      LYS  22   1.039  17.220   8.152
  218    HZ3  LYS  22           2HZ      LYS  22   1.081  18.456   9.318
  219    H    GLY  23           H        GLY  23   2.259  16.023   5.310
  220    HA2  GLY  23           2HA      GLY  23   2.966  18.107   3.528
  221    HA3  GLY  23           1HA      GLY  23   4.121  17.220   4.524
  222    H    GLY  24           H        GLY  24   3.398  14.632   3.291
  223    HA2  GLY  24           2HA      GLY  24   4.072  13.307   1.475
  224    HA3  GLY  24           1HA      GLY  24   3.805  14.721   0.458
  225    HA   PRO  25           HA       PRO  25   8.305  15.371   2.138
  226    HB2  PRO  25           2HB      PRO  25   9.324  13.164   3.499
  227    HB3  PRO  25           1HB      PRO  25   8.690  14.632   4.262
  228    HG2  PRO  25           2HG      PRO  25   7.405  11.990   3.878
  229    HG3  PRO  25           1HG      PRO  25   7.242  13.148   5.208
  230    HD2  PRO  25           2HD      PRO  25   5.329  12.836   3.296
  231    HD3  PRO  25           1HD      PRO  25   5.620  14.387   4.112
  232    H    HIS  26           H        HIS  26   7.132  12.263   1.048
  233    HA   HIS  26           HA       HIS  26   7.917  10.798  -0.598
  234    HB2  HIS  26           2HB      HIS  26   9.313  13.321  -1.540
  235    HB3  HIS  26           1HB      HIS  26   9.087  11.858  -2.497
  236    HD1  HIS  26           1HD      HIS  26   6.362  11.071  -2.468
  237    HD2  HIS  26           2HD      HIS  26   7.273  15.118  -2.022
  238    HE1  HIS  26           1HE      HIS  26   4.254  12.347  -3.046
  239    HE2  HIS  26           2HE      HIS  26   4.796  14.812  -2.780
  240    H    LYS  27           H        LYS  27   9.366  10.721   1.822
  241    HA   LYS  27           HA       LYS  27  12.179  10.975   1.564
  242    HB2  LYS  27           2HB      LYS  27  10.966  10.469   3.701
  243    HB3  LYS  27           1HB      LYS  27  10.689   8.830   3.110
  244    HG2  LYS  27           2HG      LYS  27  13.143   8.514   2.895
  245    HG3  LYS  27           1HG      LYS  27  13.392  10.130   3.557
  246    HD2  LYS  27           2HD      LYS  27  12.161   9.433   5.616
  247    HD3  LYS  27           1HD      LYS  27  12.054   7.798   4.961
  248    HE2  LYS  27           2HE      LYS  27  14.760   9.039   5.022
  249    HE3  LYS  27           1HE      LYS  27  14.065   8.575   6.574
  250    HZ1  LYS  27           3HZ      LYS  27  15.126   6.661   5.881
  251    HZ2  LYS  27           1HZ      LYS  27  14.703   6.878   4.251
  252    HZ3  LYS  27           2HZ      LYS  27  13.528   6.386   5.374
  253    H    VAL  28           H        VAL  28   9.972   8.408   0.556
  254    HA   VAL  28           HA       VAL  28  12.114   7.332  -1.184
  255    HB   VAL  28           HB       VAL  28  10.476   5.404   0.450
  256   HG11  VAL  28          1HG1      VAL  28  12.007   3.832  -0.295
  257   HG12  VAL  28          2HG1      VAL  28  13.308   5.013  -0.433
  258   HG13  VAL  28          3HG1      VAL  28  12.039   4.954  -1.655
  259   HG21  VAL  28          3HG2      VAL  28  11.584   6.873   2.080
  260   HG22  VAL  28          1HG2      VAL  28  13.120   6.667   1.242
  261   HG23  VAL  28          2HG2      VAL  28  12.370   5.295   2.057
  262    H    GLY  29           H        GLY  29   8.951   6.015  -0.197
  263    HA2  GLY  29           2HA      GLY  29   8.152   5.643  -2.958
  264    HA3  GLY  29           1HA      GLY  29   7.127   5.384  -1.546
  265    HA   PRO  30           HA       PRO  30   6.232   9.450  -4.000
  266    HB2  PRO  30           2HB      PRO  30   3.738   8.580  -4.899
  267    HB3  PRO  30           1HB      PRO  30   5.222   8.617  -5.867
  268    HG2  PRO  30           2HG      PRO  30   3.931   6.343  -4.469
  269    HG3  PRO  30           1HG      PRO  30   4.817   6.379  -6.003
  270    HD2  PRO  30           2HD      PRO  30   5.929   5.402  -3.729
  271    HD3  PRO  30           1HD      PRO  30   6.894   6.240  -4.966
  272    H    ASN  31           H        ASN  31   5.195   7.705  -1.398
  273    HA   ASN  31           HA       ASN  31   3.934   8.306   0.470
  274    HB2  ASN  31           2HB      ASN  31   4.692  10.788  -0.734
  275    HB3  ASN  31           1HB      ASN  31   3.023  10.925  -0.185
  276   HD21  ASN  31          1HD2      ASN  31   6.199  11.255   0.866
  277   HD22  ASN  31          2HD2      ASN  31   5.945  11.069   2.535
  278    H    LEU  32           H        LEU  32   1.918   7.489   0.749
  279    HA   LEU  32           HA       LEU  32  -0.051   7.783  -1.445
  280    HB2  LEU  32           2HB      LEU  32  -0.088   6.092   1.072
  281    HB3  LEU  32           1HB      LEU  32  -1.346   6.084  -0.162
  282    HG   LEU  32           HG       LEU  32   0.399   5.448  -1.852
  283   HD11  LEU  32          1HD1      LEU  32   2.498   5.997  -1.089
  284   HD12  LEU  32          2HD1      LEU  32   2.440   4.335  -0.505
  285   HD13  LEU  32          3HD1      LEU  32   2.089   5.664   0.594
  286   HD21  LEU  32          3HD2      LEU  32  -0.200   3.713   0.542
  287   HD22  LEU  32          1HD2      LEU  32   0.749   3.095  -0.809
  288   HD23  LEU  32          2HD2      LEU  32  -0.907   3.642  -1.073
  289    H    HIS  33           H        HIS  33  -1.977   8.891  -1.211
  290    HA   HIS  33           HA       HIS  33  -3.021   9.724   1.355
  291    HB2  HIS  33           2HB      HIS  33  -1.110  11.320   1.101
  292    HB3  HIS  33           1HB      HIS  33  -1.828  11.890  -0.406
  293    HD1  HIS  33           1HD      HIS  33  -2.952  11.415   3.221
  294    HD2  HIS  33           2HD      HIS  33  -3.529  14.021   0.014
  295    HE1  HIS  33           1HE      HIS  33  -4.471  13.263   4.061
  296    HE2  HIS  33           2HE      HIS  33  -4.826  14.852   2.116
  297    H    GLY  34           H        GLY  34  -4.978   8.904   0.543
  298    HA2  GLY  34           2HA      GLY  34  -7.121   9.416  -0.396
  299    HA3  GLY  34           1HA      GLY  34  -6.361  10.673  -1.377
  300    H    ILE  35           H        ILE  35  -4.495   7.909  -1.502
  301    HA   ILE  35           HA       ILE  35  -4.921   7.452  -4.271
  302    HB   ILE  35           HB       ILE  35  -2.927   6.736  -2.824
  303   HG12  ILE  35          2HG1      ILE  35  -4.052   4.532  -4.569
  304   HG13  ILE  35          1HG1      ILE  35  -3.425   6.037  -5.243
  305   HG21  ILE  35          1HG2      ILE  35  -4.468   5.543  -1.172
  306   HG22  ILE  35          2HG2      ILE  35  -3.047   4.635  -1.690
  307   HG23  ILE  35          3HG2      ILE  35  -4.627   4.272  -2.385
  308   HD11  ILE  35          3HD1      ILE  35  -1.790   4.392  -3.316
  309   HD12  ILE  35          1HD1      ILE  35  -1.237   5.614  -4.462
  310   HD13  ILE  35          2HD1      ILE  35  -1.787   4.044  -5.045
  311    H    PHE  36           H        PHE  36  -6.690   6.349  -1.499
  312    HA   PHE  36           HA       PHE  36  -7.834   3.972  -2.603
  313    HB2  PHE  36           2HB      PHE  36  -8.795   5.931  -0.510
  314    HB3  PHE  36           1HB      PHE  36  -9.694   4.476  -0.929
  315    HD1  PHE  36           2HD      PHE  36  -6.586   5.784   0.578
  316    HD2  PHE  36           1HD      PHE  36  -8.863   2.267  -0.375
  317    HE1  PHE  36           2HE      PHE  36  -5.125   4.431   2.060
  318    HE2  PHE  36           1HE      PHE  36  -7.402   0.918   1.105
  319    HZ   PHE  36           HZ       PHE  36  -5.534   2.000   2.319
  320    H    GLY  37           H        GLY  37  -9.416   3.717  -4.113
  321    HA2  GLY  37           2HA      GLY  37 -11.168   4.245  -5.586
  322    HA3  GLY  37           1HA      GLY  37 -11.521   5.634  -4.558
  323    H    ARG  38           H        ARG  38  -8.331   5.178  -5.953
  324    HA   ARG  38           HA       ARG  38  -8.952   7.142  -8.080
  325    HB2  ARG  38           2HB      ARG  38  -6.814   7.584  -5.978
  326    HB3  ARG  38           1HB      ARG  38  -7.057   8.588  -7.409
  327    HG2  ARG  38           2HG      ARG  38  -9.443   8.949  -6.614
  328    HG3  ARG  38           1HG      ARG  38  -8.971   8.182  -5.098
  329    HD2  ARG  38           2HD      ARG  38  -8.686  10.512  -4.721
  330    HD3  ARG  38           1HD      ARG  38  -7.059   9.895  -5.018
  331    HE   ARG  38           HE       ARG  38  -7.029  11.076  -7.082
  332   HH11  ARG  38          1HH2      ARG  38 -10.139  11.008  -5.597
  333   HH12  ARG  38          2HH2      ARG  38 -10.824  12.182  -6.669
  334   HH21  ARG  38          1HH1      ARG  38  -7.907  12.608  -8.495
  335   HH22  ARG  38          2HH1      ARG  38  -9.561  13.088  -8.310
  336    H    HIS  39           H        HIS  39  -6.953   7.471  -9.508
  337    HA   HIS  39           HA       HIS  39  -5.746   4.810  -9.971
  338    HB2  HIS  39           2HB      HIS  39  -5.794   7.328 -11.657
  339    HB3  HIS  39           1HB      HIS  39  -5.035   5.814 -12.146
  340    HD1  HIS  39           1HD      HIS  39  -8.390   7.401 -11.574
  341    HD2  HIS  39           2HD      HIS  39  -6.859   3.729 -12.828
  342    HE1  HIS  39           1HE      HIS  39 -10.346   6.093 -12.516
  343    HE2  HIS  39           2HE      HIS  39  -9.425   3.858 -13.283
  344    H    SER  40           H        SER  40  -3.432   4.636 -10.413
  345    HA   SER  40           HA       SER  40  -1.819   6.002  -8.466
  346    HB2  SER  40           2HB      SER  40   0.010   4.734  -9.351
  347    HB3  SER  40           1HB      SER  40  -1.405   3.693  -9.457
  348    HG   SER  40           HG       SER  40  -1.224   5.229 -11.648
  349    H    GLY  41           H        GLY  41   0.154   7.283  -9.036
  350    HA2  GLY  41           2HA      GLY  41   1.343   8.776 -10.516
  351    HA3  GLY  41           1HA      GLY  41  -0.066   8.797 -11.576
  352    H    GLN  42           H        GLN  42  -1.547   9.081  -8.768
  353    HA   GLN  42           HA       GLN  42  -2.089  11.870  -9.019
  354    HB2  GLN  42           2HB      GLN  42  -3.576  10.212  -7.866
  355    HB3  GLN  42           1HB      GLN  42  -2.422  10.172  -6.532
  356    HG2  GLN  42           2HG      GLN  42  -2.686  12.669  -6.326
  357    HG3  GLN  42           1HG      GLN  42  -3.985  12.574  -7.517
  358   HE21  GLN  42          1HE2      GLN  42  -6.048  12.064  -6.730
  359   HE22  GLN  42          2HE2      GLN  42  -6.365  11.501  -5.160
  360    H    ALA  43           H        ALA  43   0.198  10.096  -6.967
  361    HA   ALA  43           HA       ALA  43   0.967  12.227  -5.270
  362    HB1  ALA  43           1HB      ALA  43   2.704  10.864  -4.610
  363    HB2  ALA  43           2HB      ALA  43   3.081  10.366  -6.259
  364    HB3  ALA  43           3HB      ALA  43   1.702   9.660  -5.417
  365    H    GLU  44           H        GLU  44   2.388  13.932  -5.512
  366    HA   GLU  44           HA       GLU  44   3.674  14.255  -8.194
  367    HB2  GLU  44           2HB      GLU  44   2.376  16.413  -6.501
  368    HB3  GLU  44           1HB      GLU  44   3.195  16.668  -8.041
  369    HG2  GLU  44           2HG      GLU  44   1.561  15.141  -9.132
  370    HG3  GLU  44           1HG      GLU  44   0.712  14.989  -7.595
  371    H    GLY  45           H        GLY  45   5.728  15.286  -8.162
  372    HA2  GLY  45           2HA      GLY  45   7.565  16.407  -7.057
  373    HA3  GLY  45           1HA      GLY  45   6.847  15.986  -5.503
  374    H    TYR  46           H        TYR  46   6.496  13.211  -7.101
  375    HA   TYR  46           HA       TYR  46   9.274  12.256  -6.539
  376    HB2  TYR  46           2HB      TYR  46   7.707  11.625  -4.693
  377    HB3  TYR  46           1HB      TYR  46   6.725  10.754  -5.872
  378    HD1  TYR  46           1HD      TYR  46  10.098  10.922  -4.312
  379    HD2  TYR  46           2HD      TYR  46   7.366   8.591  -6.669
  380    HE1  TYR  46           1HE      TYR  46  11.595   8.957  -4.103
  381    HE2  TYR  46           2HE      TYR  46   8.867   6.625  -6.461
  382    HH   TYR  46           HH       TYR  46  11.401   6.286  -6.037
  383    H    SER  47           H        SER  47  10.112  10.965  -8.128
  384    HA   SER  47           HA       SER  47   8.723  10.719 -10.636
  385    HB2  SER  47           2HB      SER  47  11.193   9.255  -9.659
  386    HB3  SER  47           1HB      SER  47  10.661   9.370 -11.333
  387    HG   SER  47           HG       SER  47  12.185  11.050 -10.015
  388    H    TYR  48           H        TYR  48   8.078   8.712 -11.679
  389    HA   TYR  48           HA       TYR  48   7.183   6.642  -9.714
  390    HB2  TYR  48           2HB      TYR  48   5.935   7.805 -12.170
  391    HB3  TYR  48           1HB      TYR  48   5.607   6.112 -11.797
  392    HD1  TYR  48           1HD      TYR  48   5.359   9.587 -10.503
  393    HD2  TYR  48           2HD      TYR  48   4.226   5.480  -9.946
  394    HE1  TYR  48           1HE      TYR  48   3.708  10.274  -8.784
  395    HE2  TYR  48           2HE      TYR  48   2.578   6.166  -8.228
  396    HH   TYR  48           HH       TYR  48   1.650   7.857  -7.145
  397    H    THR  49           H        THR  49   7.711   4.503 -10.118
  398    HA   THR  49           HA       THR  49   9.921   3.981 -11.897
  399    HB   THR  49           HB       THR  49   8.086   1.971 -10.560
  400    HG1  THR  49           1HG      THR  49  10.564   2.917  -9.603
  401   HG21  THR  49          3HG2      THR  49   9.388   0.490 -11.644
  402   HG22  THR  49          1HG2      THR  49  10.746   1.073 -10.681
  403   HG23  THR  49          2HG2      THR  49  10.420   1.777 -12.264
  404    H    ASP  50           H        ASP  50   9.916   2.867 -13.882
  405    HA   ASP  50           HA       ASP  50   7.821   3.317 -15.680
  406    HB2  ASP  50           2HB      ASP  50   9.916   1.145 -15.685
  407    HB3  ASP  50           1HB      ASP  50   8.865   1.488 -17.056
  408    H    ALA  51           H        ALA  51   8.359   0.527 -13.570
  409    HA   ALA  51           HA       ALA  51   6.575  -1.345 -14.523
  410    HB1  ALA  51           1HB      ALA  51   6.423  -2.205 -12.339
  411    HB2  ALA  51           2HB      ALA  51   6.505  -0.603 -11.606
  412    HB3  ALA  51           3HB      ALA  51   7.949  -1.321 -12.318
  413    H    ASN  52           H        ASN  52   5.438   0.821 -11.919
  414    HA   ASN  52           HA       ASN  52   2.695   0.432 -12.406
  415    HB2  ASN  52           2HB      ASN  52   3.627   1.550 -10.389
  416    HB3  ASN  52           1HB      ASN  52   3.985   2.972 -11.369
  417   HD21  ASN  52          1HD2      ASN  52   1.294   1.011 -10.052
  418   HD22  ASN  52          2HD2      ASN  52   0.104   2.199 -10.292
  419    H    ILE  53           H        ILE  53   4.844   2.908 -13.851
  420    HA   ILE  53           HA       ILE  53   2.814   4.361 -15.195
  421    HB   ILE  53           HB       ILE  53   5.661   3.839 -16.086
  422   HG12  ILE  53          2HG1      ILE  53   4.477   6.103 -14.449
  423   HG13  ILE  53          1HG1      ILE  53   5.460   4.793 -13.794
  424   HG21  ILE  53          1HG2      ILE  53   5.113   5.065 -17.882
  425   HG22  ILE  53          2HG2      ILE  53   4.717   6.406 -16.807
  426   HG23  ILE  53          3HG2      ILE  53   3.468   5.256 -17.280
  427   HD11  ILE  53          3HD1      ILE  53   7.032   6.506 -14.136
  428   HD12  ILE  53          1HD1      ILE  53   6.283   7.019 -15.649
  429   HD13  ILE  53          2HD1      ILE  53   7.206   5.517 -15.585
  430    H    LYS  54           H        LYS  54   4.783   1.602 -16.353
  431    HA   LYS  54           HA       LYS  54   3.571   1.417 -18.923
  432    HB2  LYS  54           2HB      LYS  54   4.814  -0.722 -17.172
  433    HB3  LYS  54           1HB      LYS  54   4.348  -0.976 -18.853
  434    HG2  LYS  54           2HG      LYS  54   5.841   0.910 -19.514
  435    HG3  LYS  54           1HG      LYS  54   6.365   1.048 -17.837
  436    HD2  LYS  54           2HD      LYS  54   7.119  -1.333 -17.919
  437    HD3  LYS  54           1HD      LYS  54   6.703  -1.369 -19.632
  438    HE2  LYS  54           2HE      LYS  54   8.278   0.952 -19.238
  439    HE3  LYS  54           1HE      LYS  54   9.096  -0.360 -18.388
  440    HZ1  LYS  54           3HZ      LYS  54   9.856  -0.404 -20.605
  441    HZ2  LYS  54           1HZ      LYS  54   8.288  -0.270 -21.237
  442    HZ3  LYS  54           2HZ      LYS  54   8.770  -1.702 -20.460
  443    H    LYS  55           H        LYS  55   2.588   0.191 -15.769
  444    HA   LYS  55           HA       LYS  55   0.011  -0.686 -17.015
  445    HB2  LYS  55           2HB      LYS  55   1.409  -2.632 -16.313
  446    HB3  LYS  55           1HB      LYS  55   1.433  -1.991 -14.671
  447    HG2  LYS  55           2HG      LYS  55  -1.040  -2.122 -14.590
  448    HG3  LYS  55           1HG      LYS  55  -1.047  -2.802 -16.218
  449    HD2  LYS  55           2HD      LYS  55   0.403  -4.671 -15.380
  450    HD3  LYS  55           1HD      LYS  55   0.214  -4.025 -13.749
  451    HE2  LYS  55           2HE      LYS  55  -2.379  -4.212 -14.955
  452    HE3  LYS  55           1HE      LYS  55  -1.555  -5.760 -15.155
  453    HZ1  LYS  55           3HZ      LYS  55  -2.014  -4.282 -12.626
  454    HZ2  LYS  55           1HZ      LYS  55  -0.996  -5.634 -12.749
  455    HZ3  LYS  55           2HZ      LYS  55  -2.657  -5.790 -13.071
  456    H    ASN  56           H        ASN  56  -1.535   0.710 -16.298
  457    HA   ASN  56           HA       ASN  56  -1.184   1.952 -13.621
  458    HB2  ASN  56           2HB      ASN  56  -1.763   3.286 -15.774
  459    HB3  ASN  56           1HB      ASN  56  -3.387   2.628 -15.563
  460   HD21  ASN  56          1HD2      ASN  56  -2.218   2.774 -12.480
  461   HD22  ASN  56          2HD2      ASN  56  -2.732   4.328 -12.037
  462    H    VAL  57           H        VAL  57  -2.633   1.566 -11.960
  463    HA   VAL  57           HA       VAL  57  -4.889  -0.305 -12.538
  464    HB   VAL  57           HB       VAL  57  -2.959  -1.529 -11.565
  465   HG11  VAL  57          1HG1      VAL  57  -2.542   0.782 -10.153
  466   HG12  VAL  57          2HG1      VAL  57  -1.820  -0.772  -9.743
  467   HG13  VAL  57          3HG1      VAL  57  -3.293  -0.239  -8.928
  468   HG21  VAL  57          3HG2      VAL  57  -4.273  -2.761 -10.089
  469   HG22  VAL  57          1HG2      VAL  57  -5.519  -1.862 -10.956
  470   HG23  VAL  57          2HG2      VAL  57  -4.987  -1.321  -9.363
  471    H    LEU  58           H        LEU  58  -6.733  -0.010 -11.238
  472    HA   LEU  58           HA       LEU  58  -6.979   2.635  -9.994
  473    HB2  LEU  58           2HB      LEU  58  -8.846   1.673 -11.312
  474    HB3  LEU  58           1HB      LEU  58  -8.951   0.331 -10.172
  475    HG   LEU  58           HG       LEU  58  -9.416   1.966  -8.343
  476   HD11  LEU  58          1HD1      LEU  58  -8.842   3.832 -10.555
  477   HD12  LEU  58          2HD1      LEU  58  -8.712   4.074  -8.813
  478   HD13  LEU  58          3HD1      LEU  58 -10.275   4.239  -9.610
  479   HD21  LEU  58          3HD2      LEU  58 -11.156   0.916 -10.120
  480   HD22  LEU  58          1HD2      LEU  58 -11.439   2.629 -10.424
  481   HD23  LEU  58          2HD2      LEU  58 -11.667   1.973  -8.804
  482    H    TRP  59           H        TRP  59  -6.739   3.010  -7.812
  483    HA   TRP  59           HA       TRP  59  -6.137   0.666  -6.123
  484    HB2  TRP  59           2HB      TRP  59  -5.803   3.642  -5.736
  485    HB3  TRP  59           1HB      TRP  59  -5.504   2.476  -4.444
  486    HD1  TRP  59           HD       TRP  59  -3.914   4.010  -7.422
  487    HE1  TRP  59           1HE      TRP  59  -1.671   2.845  -7.945
  488    HE3  TRP  59           3HE      TRP  59  -4.296  -0.032  -4.351
  489    HZ2  TRP  59           2HZ      TRP  59  -0.232   0.491  -7.158
  490    HZ3  TRP  59           3HZ      TRP  59  -2.480  -1.708  -4.241
  491    HH2  TRP  59           HH       TRP  59  -0.450  -1.449  -5.639
  492    H    ASP  60           H        ASP  60  -7.683  -0.243  -4.997
  493    HA   ASP  60           HA       ASP  60  -9.760   1.410  -3.671
  494    HB2  ASP  60           2HB      ASP  60 -10.285  -1.043  -5.386
  495    HB3  ASP  60           1HB      ASP  60 -11.481  -0.295  -4.327
  496    H    GLU  61           H        GLU  61 -11.084  -0.373  -2.228
  497    HA   GLU  61           HA       GLU  61  -9.204  -1.328  -0.307
  498    HB2  GLU  61           2HB      GLU  61 -12.092  -2.129  -0.773
  499    HB3  GLU  61           1HB      GLU  61 -11.156  -2.533   0.666
  500    HG2  GLU  61           2HG      GLU  61 -10.788  -0.114   1.079
  501    HG3  GLU  61           1HG      GLU  61 -11.799   0.261  -0.317
  502    H    ASN  62           H        ASN  62 -10.872  -2.974  -2.979
  503    HA   ASN  62           HA       ASN  62  -9.836  -5.598  -2.252
  504    HB2  ASN  62           2HB      ASN  62 -10.578  -5.308  -5.053
  505    HB3  ASN  62           1HB      ASN  62 -11.317  -6.306  -3.799
  506   HD21  ASN  62          1HD2      ASN  62 -11.327  -3.020  -5.197
  507   HD22  ASN  62          2HD2      ASN  62 -12.852  -2.590  -4.586
  508    H    ASN  63           H        ASN  63  -8.957  -3.123  -4.661
  509    HA   ASN  63           HA       ASN  63  -6.944  -4.606  -5.994
  510    HB2  ASN  63           2HB      ASN  63  -7.912  -2.324  -6.630
  511    HB3  ASN  63           1HB      ASN  63  -6.785  -1.640  -5.457
  512   HD21  ASN  63          1HD2      ASN  63  -4.795  -1.070  -6.326
  513   HD22  ASN  63          2HD2      ASN  63  -4.100  -1.762  -7.711
  514    H    MET  64           H        MET  64  -6.708  -2.557  -3.086
  515    HA   MET  64           HA       MET  64  -3.874  -2.793  -2.801
  516    HB2  MET  64           2HB      MET  64  -6.059  -2.301  -0.767
  517    HB3  MET  64           1HB      MET  64  -4.340  -2.257  -0.366
  518    HG2  MET  64           2HG      MET  64  -4.019  -0.547  -2.161
  519    HG3  MET  64           1HG      MET  64  -5.765  -0.524  -2.403
  520    HE1  MET  64           3HE      MET  64  -5.769   2.667  -1.091
  521    HE2  MET  64           1HE      MET  64  -4.961   1.735  -2.361
  522    HE3  MET  64           2HE      MET  64  -4.019   2.465  -1.061
  523    H    SER  65           H        SER  65  -6.542  -4.810  -1.602
  524    HA   SER  65           HA       SER  65  -4.983  -6.532   0.037
  525    HB2  SER  65           2HB      SER  65  -7.455  -7.132  -1.606
  526    HB3  SER  65           1HB      SER  65  -6.802  -8.202  -0.371
  527    HG   SER  65           HG       SER  65  -8.200  -5.830  -0.142
  528    H    GLU  66           H        GLU  66  -5.662  -6.654  -3.453
  529    HA   GLU  66           HA       GLU  66  -4.277  -9.152  -3.881
  530    HB2  GLU  66           2HB      GLU  66  -5.021  -6.913  -5.782
  531    HB3  GLU  66           1HB      GLU  66  -4.391  -8.480  -6.283
  532    HG2  GLU  66           2HG      GLU  66  -6.298  -9.589  -5.138
  533    HG3  GLU  66           1HG      GLU  66  -6.948  -8.002  -4.727
  534    H    HIS  67           H        HIS  67  -3.295  -5.762  -3.907
  535    HA   HIS  67           HA       HIS  67  -0.828  -5.991  -5.260
  536    HB2  HIS  67           2HB      HIS  67  -1.879  -3.857  -4.555
  537    HB3  HIS  67           1HB      HIS  67  -1.459  -4.221  -2.884
  538    HD1  HIS  67           1HD      HIS  67   0.549  -4.388  -6.128
  539    HD2  HIS  67           2HD      HIS  67   0.801  -2.745  -2.312
  540    HE1  HIS  67           1HE      HIS  67   2.791  -3.211  -6.006
  541    HE2  HIS  67           2HE      HIS  67   2.957  -2.214  -3.679
  542    H    LEU  68           H        LEU  68  -1.419  -6.273  -1.745
  543    HA   LEU  68           HA       LEU  68   1.308  -7.032  -1.181
  544    HB2  LEU  68           2HB      LEU  68  -1.262  -7.202   0.396
  545    HB3  LEU  68           1HB      LEU  68   0.275  -7.777   1.037
  546    HG   LEU  68           HG       LEU  68   1.254  -5.513   0.568
  547   HD11  LEU  68          1HD1      LEU  68  -0.655  -3.720   0.370
  548   HD12  LEU  68          2HD1      LEU  68  -1.580  -5.055  -0.310
  549   HD13  LEU  68          3HD1      LEU  68  -0.082  -4.540  -1.083
  550   HD21  LEU  68          3HD2      LEU  68  -0.461  -6.334   2.656
  551   HD22  LEU  68          1HD2      LEU  68  -0.931  -4.678   2.269
  552   HD23  LEU  68          2HD2      LEU  68   0.738  -5.039   2.709
  553    H    THR  69           H        THR  69  -1.586  -8.787  -2.068
  554    HA   THR  69           HA       THR  69  -0.889 -11.377  -1.184
  555    HB   THR  69           HB       THR  69  -2.335 -10.693  -3.755
  556    HG1  THR  69           1HG      THR  69  -3.506 -11.198  -1.243
  557   HG21  THR  69          3HG2      THR  69  -2.219 -13.125  -1.965
  558   HG22  THR  69          1HG2      THR  69  -1.870 -13.027  -3.692
  559   HG23  THR  69          2HG2      THR  69  -3.529 -12.866  -3.117
  560    H    ASN  70           H        ASN  70   0.121  -9.673  -4.148
  561    HA   ASN  70           HA       ASN  70   2.424 -11.446  -4.374
  562    HB2  ASN  70           2HB      ASN  70   0.254 -12.556  -5.448
  563    HB3  ASN  70           1HB      ASN  70   0.684 -11.520  -6.805
  564   HD21  ASN  70          1HD2      ASN  70   1.998 -12.604  -8.269
  565   HD22  ASN  70          2HD2      ASN  70   3.171 -13.762  -7.862
  566    HA   PRO  71           HA       PRO  71   2.670  -6.996  -5.958
  567    HB2  PRO  71           2HB      PRO  71   5.315  -7.369  -4.659
  568    HB3  PRO  71           1HB      PRO  71   4.193  -6.002  -4.560
  569    HG2  PRO  71           2HG      PRO  71   4.533  -7.785  -2.565
  570    HG3  PRO  71           1HG      PRO  71   3.016  -6.921  -2.853
  571    HD2  PRO  71           2HD      PRO  71   3.650  -9.775  -3.315
  572    HD3  PRO  71           1HD      PRO  71   2.077  -8.991  -3.088
  573    H    ALA  72           H        ALA  72   4.501  -9.932  -6.290
  574    HA   ALA  72           HA       ALA  72   6.542  -9.063  -8.075
  575    HB1  ALA  72           1HB      ALA  72   7.072 -11.225  -7.745
  576    HB2  ALA  72           2HB      ALA  72   5.795 -11.654  -8.884
  577    HB3  ALA  72           3HB      ALA  72   5.448 -11.580  -7.155
  578    H    LYS  73           H        LYS  73   3.807 -11.066  -9.192
  579    HA   LYS  73           HA       LYS  73   3.984 -10.214 -11.891
  580    HB2  LYS  73           2HB      LYS  73   1.585 -11.251 -10.348
  581    HB3  LYS  73           1HB      LYS  73   1.661 -11.108 -12.105
  582    HG2  LYS  73           2HG      LYS  73   3.661 -12.604 -12.101
  583    HG3  LYS  73           1HG      LYS  73   3.459 -12.816 -10.361
  584    HD2  LYS  73           2HD      LYS  73   1.151 -13.679 -10.776
  585    HD3  LYS  73           1HD      LYS  73   1.460 -13.575 -12.509
  586    HE2  LYS  73           2HE      LYS  73   2.338 -15.646 -12.389
  587    HE3  LYS  73           1HE      LYS  73   3.673 -14.948 -11.471
  588    HZ1  LYS  73           3HZ      LYS  73   2.985 -16.051  -9.701
  589    HZ2  LYS  73           1HZ      LYS  73   1.697 -16.717 -10.581
  590    HZ3  LYS  73           2HZ      LYS  73   1.489 -15.249  -9.752
  591    H    TYR  74           H        TYR  74   2.275  -8.841  -9.144
  592    HA   TYR  74           HA       TYR  74   0.790  -6.910 -10.759
  593    HB2  TYR  74           2HB      TYR  74   0.047  -7.830  -8.524
  594    HB3  TYR  74           1HB      TYR  74   1.337  -6.893  -7.782
  595    HD1  TYR  74           1HD      TYR  74   1.254  -4.441  -7.729
  596    HD2  TYR  74           2HD      TYR  74  -1.925  -6.753  -9.463
  597    HE1  TYR  74           1HE      TYR  74  -0.237  -2.474  -7.633
  598    HE2  TYR  74           2HE      TYR  74  -3.412  -4.770  -9.371
  599    HH   TYR  74           HH       TYR  74  -2.319  -1.753  -7.837
  600    H    ILE  75           H        ILE  75   1.623  -4.999 -11.481
  601    HA   ILE  75           HA       ILE  75   3.266  -3.361 -11.899
  602    HB   ILE  75           HB       ILE  75   3.048  -3.364  -8.878
  603   HG12  ILE  75          2HG1      ILE  75   1.959  -1.503 -11.018
  604   HG13  ILE  75          1HG1      ILE  75   1.024  -2.752 -10.194
  605   HG21  ILE  75          1HG2      ILE  75   3.961  -0.862  -9.621
  606   HG22  ILE  75          2HG2      ILE  75   4.884  -1.924 -10.675
  607   HG23  ILE  75          3HG2      ILE  75   4.959  -2.137  -8.926
  608   HD11  ILE  75          3HD1      ILE  75   1.802  -1.586  -8.009
  609   HD12  ILE  75          1HD1      ILE  75   0.536  -0.805  -8.958
  610   HD13  ILE  75          2HD1      ILE  75   2.198  -0.224  -9.053
  611    HA   PRO  76           HA       PRO  76   6.762  -6.268 -10.815
  612    HB2  PRO  76           2HB      PRO  76   7.232  -7.245 -13.304
  613    HB3  PRO  76           1HB      PRO  76   6.022  -7.953 -12.215
  614    HG2  PRO  76           2HG      PRO  76   5.648  -6.161 -14.552
  615    HG3  PRO  76           1HG      PRO  76   4.643  -7.504 -13.981
  616    HD2  PRO  76           2HD      PRO  76   4.091  -4.811 -13.528
  617    HD3  PRO  76           1HD      PRO  76   3.438  -6.155 -12.569
  618    H    GLY  77           H        GLY  77   8.966  -5.740 -11.117
  619    HA2  GLY  77           2HA      GLY  77  10.819  -4.730 -12.258
  620    HA3  GLY  77           1HA      GLY  77   9.682  -3.885 -13.301
  621    H    THR  78           H        THR  78   8.927  -3.730  -9.937
  622    HA   THR  78           HA       THR  78   9.913  -0.911  -9.922
  623    HB   THR  78           HB       THR  78   7.457  -1.244  -9.636
  624    HG1  THR  78           1HG      THR  78   8.876   0.405  -8.520
  625   HG21  THR  78          3HG2      THR  78   6.680  -2.147  -7.437
  626   HG22  THR  78          1HG2      THR  78   8.326  -2.682  -7.111
  627   HG23  THR  78          2HG2      THR  78   7.430  -3.370  -8.464
  628    H    LYS  79           H        LYS  79  10.969  -0.115  -8.037
  629    HA   LYS  79           HA       LYS  79  12.866  -1.856  -6.841
  630    HB2  LYS  79           2HB      LYS  79  11.814   0.818  -5.860
  631    HB3  LYS  79           1HB      LYS  79  13.273   0.026  -5.264
  632    HG2  LYS  79           2HG      LYS  79  14.171   0.039  -7.605
  633    HG3  LYS  79           1HG      LYS  79  12.761   0.978  -8.096
  634    HD2  LYS  79           2HD      LYS  79  14.679   1.837  -5.912
  635    HD3  LYS  79           1HD      LYS  79  14.788   2.382  -7.586
  636    HE2  LYS  79           2HE      LYS  79  12.300   3.073  -7.296
  637    HE3  LYS  79           1HE      LYS  79  12.618   2.939  -5.568
  638    HZ1  LYS  79           3HZ      LYS  79  13.007   5.177  -6.793
  639    HZ2  LYS  79           1HZ      LYS  79  14.474   4.465  -7.257
  640    HZ3  LYS  79           2HZ      LYS  79  14.109   4.658  -5.610
  641    H    MET  80           H        MET  80   9.612  -0.974  -5.893
  642    HA   MET  80           HA       MET  80   9.667  -1.766  -3.169
  643    HB2  MET  80           2HB      MET  80   7.781  -0.567  -4.244
  644    HB3  MET  80           1HB      MET  80   7.388  -2.031  -5.142
  645    HG2  MET  80           2HG      MET  80   6.839  -3.224  -3.149
  646    HG3  MET  80           1HG      MET  80   7.548  -1.976  -2.125
  647    HE1  MET  80           3HE      MET  80   5.555  -0.701  -5.275
  648    HE2  MET  80           1HE      MET  80   3.911  -1.181  -4.836
  649    HE3  MET  80           2HE      MET  80   5.152  -2.405  -5.084
  650    H    ALA  81           H        ALA  81   9.444  -3.747  -2.157
  651    HA   ALA  81           HA       ALA  81   8.605  -6.150  -3.515
  652    HB1  ALA  81           1HB      ALA  81  11.555  -5.625  -3.179
  653    HB2  ALA  81           2HB      ALA  81  10.699  -6.226  -4.599
  654    HB3  ALA  81           3HB      ALA  81  10.920  -7.271  -3.196
  655    H    PHE  82           H        PHE  82   7.334  -6.391  -1.634
  656    HA   PHE  82           HA       PHE  82   8.691  -7.657   0.622
  657    HB2  PHE  82           2HB      PHE  82   8.929  -5.747   1.827
  658    HB3  PHE  82           1HB      PHE  82   7.853  -4.842   0.759
  659    HD1  PHE  82           2HD      PHE  82   8.029  -7.052   3.711
  660    HD2  PHE  82           1HD      PHE  82   5.452  -4.744   1.162
  661    HE1  PHE  82           2HE      PHE  82   6.191  -7.275   5.364
  662    HE2  PHE  82           1HE      PHE  82   3.616  -4.972   2.815
  663    HZ   PHE  82           HZ       PHE  82   3.986  -6.237   4.917
  664    H    GLY  83           H        GLY  83   5.653  -6.139  -0.465
  665    HA2  GLY  83           2HA      GLY  83   3.763  -7.381   1.087
  666    HA3  GLY  83           1HA      GLY  83   3.515  -7.131  -0.640
  667    H    GLY  84           H        GLY  84   2.397  -9.333   0.633
  668    HA2  GLY  84           2HA      GLY  84   2.398 -11.530  -0.680
  669    HA3  GLY  84           1HA      GLY  84   4.115 -11.608  -0.280
  670    H    LEU  85           H        LEU  85   1.365 -10.614   1.747
  671    HA   LEU  85           HA       LEU  85   2.342 -12.396   3.885
  672    HB2  LEU  85           2HB      LEU  85  -0.087 -10.581   3.897
  673    HB3  LEU  85           1HB      LEU  85   0.752 -11.253   5.297
  674    HG   LEU  85           HG       LEU  85   1.920  -9.288   3.304
  675   HD11  LEU  85          1HD1      LEU  85   1.244  -7.646   4.690
  676   HD12  LEU  85          2HD1      LEU  85   1.857  -8.507   6.103
  677   HD13  LEU  85          3HD1      LEU  85   0.237  -8.850   5.498
  678   HD21  LEU  85          3HD2      LEU  85   3.736  -9.234   5.166
  679   HD22  LEU  85          1HD2      LEU  85   3.742 -10.595   4.042
  680   HD23  LEU  85          2HD2      LEU  85   3.063 -10.790   5.657
  681    H    LYS  86           H        LYS  86   1.294 -14.271   4.528
  682    HA   LYS  86           HA       LYS  86  -0.811 -15.271   2.715
  683    HB2  LYS  86           2HB      LYS  86   0.680 -16.626   4.984
  684    HB3  LYS  86           1HB      LYS  86  -0.451 -17.425   3.890
  685    HG2  LYS  86           2HG      LYS  86   1.003 -16.657   1.969
  686    HG3  LYS  86           1HG      LYS  86   2.185 -16.120   3.164
  687    HD2  LYS  86           2HD      LYS  86   1.117 -18.951   2.959
  688    HD3  LYS  86           1HD      LYS  86   2.662 -18.415   2.298
  689    HE2  LYS  86           2HE      LYS  86   3.089 -17.534   4.733
  690    HE3  LYS  86           1HE      LYS  86   1.829 -18.687   5.172
  691    HZ1  LYS  86           3HZ      LYS  86   3.680 -19.994   5.299
  692    HZ2  LYS  86           1HZ      LYS  86   4.495 -19.179   4.055
  693    HZ3  LYS  86           2HZ      LYS  86   3.246 -20.266   3.679
  694    H    LYS  87           H        LYS  87  -0.776 -13.510   5.551
  695    HA   LYS  87           HA       LYS  87  -3.179 -14.856   6.652
  696    HB2  LYS  87           2HB      LYS  87  -1.470 -12.602   7.733
  697    HB3  LYS  87           1HB      LYS  87  -2.904 -13.235   8.541
  698    HG2  LYS  87           2HG      LYS  87  -1.835 -15.514   8.492
  699    HG3  LYS  87           1HG      LYS  87  -0.365 -14.750   7.886
  700    HD2  LYS  87           2HD      LYS  87  -0.354 -13.270   9.895
  701    HD3  LYS  87           1HD      LYS  87  -1.746 -14.158  10.514
  702    HE2  LYS  87           2HE      LYS  87  -0.450 -16.236  10.532
  703    HE3  LYS  87           1HE      LYS  87   0.938 -15.398   9.838
  704    HZ1  LYS  87           3HZ      LYS  87   0.152 -13.938  12.055
  705    HZ2  LYS  87           1HZ      LYS  87   1.549 -14.885  11.888
  706    HZ3  LYS  87           2HZ      LYS  87   0.136 -15.566  12.541
  707    H    GLU  88           H        GLU  88  -5.165 -14.084   6.216
  708    HA   GLU  88           HA       GLU  88  -5.456 -11.652   4.611
  709    HB2  GLU  88           2HB      GLU  88  -7.504 -13.583   5.740
  710    HB3  GLU  88           1HB      GLU  88  -7.880 -12.249   4.649
  711    HG2  GLU  88           2HG      GLU  88  -6.329 -13.214   2.965
  712    HG3  GLU  88           1HG      GLU  88  -6.033 -14.577   4.046
  713    H    LYS  89           H        LYS  89  -6.302 -12.696   7.907
  714    HA   LYS  89           HA       LYS  89  -7.796 -10.395   8.646
  715    HB2  LYS  89           2HB      LYS  89  -6.044 -12.196  10.342
  716    HB3  LYS  89           1HB      LYS  89  -7.193 -11.023  10.985
  717    HG2  LYS  89           2HG      LYS  89  -9.015 -12.177   9.727
  718    HG3  LYS  89           1HG      LYS  89  -7.849 -13.397   9.218
  719    HD2  LYS  89           2HD      LYS  89  -7.374 -13.885  11.623
  720    HD3  LYS  89           1HD      LYS  89  -8.651 -12.753  12.070
  721    HE2  LYS  89           2HE      LYS  89  -9.765 -14.475  10.119
  722    HE3  LYS  89           1HE      LYS  89  -8.891 -15.507  11.253
  723    HZ1  LYS  89           3HZ      LYS  89 -11.219 -13.814  11.695
  724    HZ2  LYS  89           1HZ      LYS  89 -10.081 -13.871  12.951
  725    HZ3  LYS  89           2HZ      LYS  89 -10.808 -15.304  12.399
  726    H    ASP  90           H        ASP  90  -4.294 -11.048   9.045
  727    HA   ASP  90           HA       ASP  90  -3.702  -8.515  10.241
  728    HB2  ASP  90           2HB      ASP  90  -1.975 -10.413   8.626
  729    HB3  ASP  90           1HB      ASP  90  -1.357  -9.019   9.505
  730    H    ARG  91           H        ARG  91  -3.667  -9.631   6.869
  731    HA   ARG  91           HA       ARG  91  -2.638  -7.242   5.707
  732    HB2  ARG  91           2HB      ARG  91  -2.834  -9.388   4.495
  733    HB3  ARG  91           1HB      ARG  91  -4.591  -9.240   4.527
  734    HG2  ARG  91           2HG      ARG  91  -4.427  -7.120   3.259
  735    HG3  ARG  91           1HG      ARG  91  -2.674  -7.300   3.203
  736    HD2  ARG  91           2HD      ARG  91  -3.741  -8.120   1.120
  737    HD3  ARG  91           1HD      ARG  91  -2.907  -9.412   1.979
  738    HE   ARG  91           HE       ARG  91  -4.990 -10.472   2.216
  739   HH11  ARG  91          1HH2      ARG  91  -5.348  -7.072   1.753
  740   HH12  ARG  91          2HH2      ARG  91  -7.079  -7.125   1.740
  741   HH21  ARG  91          1HH1      ARG  91  -7.245 -10.556   2.201
  742   HH22  ARG  91          2HH1      ARG  91  -8.152  -9.096   1.991
  743    H    ASN  92           H        ASN  92  -5.987  -8.230   6.431
  744    HA   ASN  92           HA       ASN  92  -7.310  -6.059   5.192
  745    HB2  ASN  92           2HB      ASN  92  -8.052  -7.563   7.718
  746    HB3  ASN  92           1HB      ASN  92  -9.142  -6.533   6.795
  747   HD21  ASN  92          1HD2      ASN  92  -8.500  -7.240   4.152
  748   HD22  ASN  92          2HD2      ASN  92  -8.861  -8.880   3.901
  749    H    ASP  93           H        ASP  93  -5.900  -6.303   8.459
  750    HA   ASP  93           HA       ASP  93  -6.829  -3.772   9.393
  751    HB2  ASP  93           2HB      ASP  93  -4.369  -5.385  10.121
  752    HB3  ASP  93           1HB      ASP  93  -4.920  -3.967  11.008
  753    H    LEU  94           H        LEU  94  -3.929  -4.719   7.583
  754    HA   LEU  94           HA       LEU  94  -2.543  -2.251   7.740
  755    HB2  LEU  94           2HB      LEU  94  -1.575  -4.363   6.859
  756    HB3  LEU  94           1HB      LEU  94  -2.591  -4.207   5.426
  757    HG   LEU  94           HG       LEU  94  -1.534  -1.994   4.962
  758   HD11  LEU  94          1HD1      LEU  94   0.818  -2.007   6.355
  759   HD12  LEU  94          2HD1      LEU  94  -0.299  -2.617   7.574
  760   HD13  LEU  94          3HD1      LEU  94  -0.596  -1.055   6.808
  761   HD21  LEU  94          3HD2      LEU  94   0.884  -3.587   5.111
  762   HD22  LEU  94          1HD2      LEU  94  -0.049  -3.119   3.691
  763   HD23  LEU  94          2HD2      LEU  94  -0.481  -4.573   4.590
  764    H    ILE  95           H        ILE  95  -4.917  -3.354   5.289
  765    HA   ILE  95           HA       ILE  95  -4.753  -0.954   3.724
  766    HB   ILE  95           HB       ILE  95  -7.097  -2.848   3.988
  767   HG12  ILE  95          2HG1      ILE  95  -4.771  -2.890   2.040
  768   HG13  ILE  95          1HG1      ILE  95  -4.948  -3.986   3.411
  769   HG21  ILE  95          1HG2      ILE  95  -6.270  -1.077   1.673
  770   HG22  ILE  95          2HG2      ILE  95  -7.499  -0.625   2.854
  771   HG23  ILE  95          3HG2      ILE  95  -7.751  -2.024   1.812
  772   HD11  ILE  95          3HD1      ILE  95  -7.321  -4.446   2.340
  773   HD12  ILE  95          1HD1      ILE  95  -5.892  -5.265   1.711
  774   HD13  ILE  95          2HD1      ILE  95  -6.542  -3.856   0.872
  775    H    THR  96           H        THR  96  -6.969  -1.950   6.328
  776    HA   THR  96           HA       THR  96  -8.606   0.392   6.253
  777    HB   THR  96           HB       THR  96  -7.984  -1.320   8.673
  778    HG1  THR  96           1HG      THR  96  -8.705  -2.404   6.673
  779   HG21  THR  96          3HG2      THR  96  -9.445   0.060   9.680
  780   HG22  THR  96          1HG2      THR  96 -10.683  -0.509   8.559
  781   HG23  THR  96          2HG2      THR  96  -9.730   0.923   8.170
  782    H    TYR  97           H        TYR  97  -5.635  -0.350   8.071
  783    HA   TYR  97           HA       TYR  97  -5.649   1.934   9.748
  784    HB2  TYR  97           2HB      TYR  97  -4.093   0.039  10.037
  785    HB3  TYR  97           1HB      TYR  97  -3.244   0.521   8.566
  786    HD1  TYR  97           2HD      TYR  97  -4.145   1.595  12.008
  787    HD2  TYR  97           1HD      TYR  97  -1.687   2.338   8.565
  788    HE1  TYR  97           2HE      TYR  97  -2.804   3.222  13.316
  789    HE2  TYR  97           1HE      TYR  97  -0.347   3.965   9.872
  790    HH   TYR  97           HH       TYR  97  -0.855   5.469  12.006
  791    H    LEU  98           H        LEU  98  -4.277   1.573   6.450
  792    HA   LEU  98           HA       LEU  98  -3.156   4.194   6.352
  793    HB2  LEU  98           2HB      LEU  98  -4.221   2.445   4.120
  794    HB3  LEU  98           1HB      LEU  98  -3.323   3.937   3.855
  795    HG   LEU  98           HG       LEU  98  -2.305   1.496   5.345
  796   HD11  LEU  98          1HD1      LEU  98  -1.729   0.773   3.286
  797   HD12  LEU  98          2HD1      LEU  98  -0.658   2.171   3.157
  798   HD13  LEU  98          3HD1      LEU  98  -2.313   2.266   2.550
  799   HD21  LEU  98          3HD2      LEU  98  -1.088   3.176   6.354
  800   HD22  LEU  98          1HD2      LEU  98  -1.318   4.293   5.009
  801   HD23  LEU  98          2HD2      LEU  98  -0.124   3.002   4.889
  802    H    LYS  99           H        LYS  99  -6.427   3.023   5.698
  803    HA   LYS  99           HA       LYS  99  -7.469   5.361   4.496
  804    HB2  LYS  99           2HB      LYS  99  -8.789   3.400   6.397
  805    HB3  LYS  99           1HB      LYS  99  -9.657   4.620   5.473
  806    HG2  LYS  99           2HG      LYS  99  -8.721   3.635   3.373
  807    HG3  LYS  99           1HG      LYS  99  -8.002   2.349   4.345
  808    HD2  LYS  99           2HD      LYS  99 -10.255   1.744   5.187
  809    HD3  LYS  99           1HD      LYS  99 -10.960   2.995   4.162
  810    HE2  LYS  99           2HE      LYS  99 -10.504   1.837   2.201
  811    HE3  LYS  99           1HE      LYS  99  -9.164   0.942   2.917
  812    HZ1  LYS  99           3HZ      LYS  99 -10.858  -0.615   2.772
  813    HZ2  LYS  99           1HZ      LYS  99 -12.063   0.488   3.228
  814    HZ3  LYS  99           2HZ      LYS  99 -10.962  -0.094   4.385
  815    H    LYS 100           H        LYS 100  -6.946   4.551   7.910
  816    HA   LYS 100           HA       LYS 100  -8.266   6.787   9.070
  817    HB2  LYS 100           2HB      LYS 100  -5.795   5.287   9.986
  818    HB3  LYS 100           1HB      LYS 100  -6.711   6.414  10.989
  819    HG2  LYS 100           2HG      LYS 100  -8.734   5.009  10.690
  820    HG3  LYS 100           1HG      LYS 100  -7.779   3.862   9.745
  821    HD2  LYS 100           2HD      LYS 100  -6.290   3.500  11.668
  822    HD3  LYS 100           1HD      LYS 100  -7.223   4.657  12.614
  823    HE2  LYS 100           2HE      LYS 100  -7.964   2.406  13.179
  824    HE3  LYS 100           1HE      LYS 100  -9.246   3.216  12.280
  825    HZ1  LYS 100           3HZ      LYS 100  -8.736   0.906  11.539
  826    HZ2  LYS 100           1HZ      LYS 100  -7.223   1.460  11.012
  827    HZ3  LYS 100           2HZ      LYS 100  -8.643   2.077  10.312
  828    H    ALA 101           H        ALA 101  -4.914   6.374   7.984
  829    HA   ALA 101           HA       ALA 101  -3.990   8.971   8.717
  830    HB1  ALA 101           1HB      ALA 101  -2.250   7.539   8.127
  831    HB2  ALA 101           2HB      ALA 101  -2.389   8.512   6.664
  832    HB3  ALA 101           3HB      ALA 101  -3.114   6.904   6.725
  833    H    THR 102           H        THR 102  -5.622   7.789   5.799
  834    HA   THR 102           HA       THR 102  -5.375  10.276   4.344
  835    HB   THR 102           HB       THR 102  -7.021   9.319   2.822
  836    HG1  THR 102           1HG      THR 102  -8.275   7.648   3.403
  837   HG21  THR 102          3HG2      THR 102  -5.773   6.771   3.379
  838   HG22  THR 102          1HG2      THR 102  -4.609   8.079   3.579
  839   HG23  THR 102          2HG2      THR 102  -5.468   7.888   2.050
  840    H    GLU 103           H        GLU 103  -7.655   8.990   6.683
  841    HA   GLU 103           HA       GLU 103  -9.668   9.902   7.528
  842    HB2  GLU 103           2HB      GLU 103  -7.813  11.115   8.690
  843    HB3  GLU 103           1HB      GLU 103  -7.930  12.384   7.470
  844    HG2  GLU 103           2HG      GLU 103 -10.326  12.706   8.086
  845    HG3  GLU 103           1HG      GLU 103 -10.127  11.514   9.370
  846    HHA  HEC 201           HA       HEC 104   4.314   2.858  -5.663
  847    HHB  HEC 201           HB       HEC 104   0.861   0.026  -1.181
  848    HHC  HEC 201           HC       HEC 104   6.132  -1.181   2.088
  849    HHD  HEC 201           HD       HEC 104   9.584   1.521  -2.467
  850   HMA1  HEC 201          1HMA      HEC 104  -0.601   0.637  -3.625
  851   HMA2  HEC 201          2HMA      HEC 104  -0.482   2.387  -3.808
  852   HMA3  HEC 201          3HMA      HEC 104  -0.351   1.657  -2.209
  853   HAA1  HEC 201          1HAA      HEC 104   2.043   1.534  -6.496
  854   HAA2  HEC 201          2HAA      HEC 104   0.543   2.161  -5.834
  855   HBA1  HEC 201          1HBA      HEC 104   2.685   3.599  -7.098
  856   HBA2  HEC 201          2HBA      HEC 104   2.470   4.189  -5.450
  857   HMB1  HEC 201          1HMB      HEC 104   1.269  -2.665   1.439
  858   HMB2  HEC 201          2HMB      HEC 104   0.365  -1.151   1.442
  859   HMB3  HEC 201          3HMB      HEC 104   0.729  -1.962  -0.078
  860    HAB  HEC 201           HAB      HEC 104   4.430  -2.027   3.248
  861   HBB1  HEC 201          1HBB      HEC 104   2.433  -1.932   4.758
  862   HBB2  HEC 201          2HBB      HEC 104   2.246  -3.017   3.385
  863   HBB3  HEC 201          3HBB      HEC 104   1.470  -1.431   3.377
  864   HMC1  HEC 201          1HMC      HEC 104   8.425  -1.205   2.752
  865   HMC2  HEC 201          2HMC      HEC 104   9.944  -1.274   1.859
  866   HMC3  HEC 201          3HMC      HEC 104   8.633  -2.382   1.455
  867    HAC  HEC 201           HAC      HEC 104  10.703   1.555  -0.574
  868   HBC1  HEC 201          1HBC      HEC 104  12.089  -0.171  -1.015
  869   HBC2  HEC 201          2HBC      HEC 104  12.178  -0.424   0.727
  870   HBC3  HEC 201          3HBC      HEC 104  11.004  -1.322  -0.235
  871   HMD1  HEC 201          1HMD      HEC 104   9.451   3.029  -5.952
  872   HMD2  HEC 201          2HMD      HEC 104   9.668   1.393  -5.328
  873   HMD3  HEC 201          3HMD      HEC 104  10.152   2.782  -4.353
  874   HAD1  HEC 201          1HAD      HEC 104   7.694   4.472  -6.181
  875   HAD2  HEC 201          2HAD      HEC 104   5.942   4.405  -6.076
  876   HBD1  HEC 201          1HBD      HEC 104   7.773   3.080  -7.997
  877   HBD2  HEC 201          2HBD      HEC 104   6.373   2.144  -7.475
  Start of MODEL    6
    1    H1   THR  -5           1HT      THR  -5 -16.400  -7.958  -4.438
    2    H2   THR  -5           2HT      THR  -5 -15.094  -9.041  -4.345
    3    H3   THR  -5           3HT      THR  -5 -14.979  -7.503  -3.632
    4    HA   THR  -5           HA       THR  -5 -17.083  -9.374  -2.770
    5    HB   THR  -5           HB       THR  -5 -15.656 -10.509  -1.310
    6    HG1  THR  -5           1HG      THR  -5 -13.790  -9.668  -0.561
    7   HG21  THR  -5          1HG2      THR  -5 -13.637  -9.946  -3.468
    8   HG22  THR  -5          2HG2      THR  -5 -15.120 -10.823  -3.839
    9   HG23  THR  -5          3HG2      THR  -5 -13.987 -11.470  -2.652
   10    H    GLU  -4           H        GLU  -4 -16.482  -8.931  -0.040
   11    HA   GLU  -4           HA       GLU  -4 -17.061  -6.004   0.166
   12    HB2  GLU  -4           2HB      GLU  -4 -17.802  -8.264   2.049
   13    HB3  GLU  -4           1HB      GLU  -4 -18.220  -6.566   2.274
   14    HG2  GLU  -4           2HG      GLU  -4 -19.453  -6.612   0.112
   15    HG3  GLU  -4           1HG      GLU  -4 -19.093  -8.333  -0.031
   16    H    PHE  -3           H        PHE  -3 -16.091  -4.854   1.958
   17    HA   PHE  -3           HA       PHE  -3 -13.491  -6.045   2.777
   18    HB2  PHE  -3           2HB      PHE  -3 -13.446  -3.827   1.672
   19    HB3  PHE  -3           1HB      PHE  -3 -14.473  -3.180   2.952
   20    HD1  PHE  -3           2HD      PHE  -3 -11.174  -4.796   2.300
   21    HD2  PHE  -3           1HD      PHE  -3 -13.554  -2.476   5.020
   22    HE1  PHE  -3           2HE      PHE  -3  -9.170  -4.385   3.702
   23    HE2  PHE  -3           1HE      PHE  -3 -11.549  -2.064   6.422
   24    HZ   PHE  -3           HZ       PHE  -3  -9.359  -3.020   5.764
   25    H    LYS  -2           H        LYS  -2 -13.202  -6.699   4.858
   26    HA   LYS  -2           HA       LYS  -2 -15.390  -6.213   6.787
   27    HB2  LYS  -2           2HB      LYS  -2 -14.291  -8.492   6.427
   28    HB3  LYS  -2           1HB      LYS  -2 -12.873  -7.829   7.239
   29    HG2  LYS  -2           2HG      LYS  -2 -14.420  -7.190   9.156
   30    HG3  LYS  -2           1HG      LYS  -2 -15.657  -8.174   8.374
   31    HD2  LYS  -2           2HD      LYS  -2 -12.908  -9.190   9.150
   32    HD3  LYS  -2           1HD      LYS  -2 -14.362  -9.422  10.121
   33    HE2  LYS  -2           2HE      LYS  -2 -15.217 -10.287   7.666
   34    HE3  LYS  -2           1HE      LYS  -2 -13.524 -10.776   7.636
   35    HZ1  LYS  -2           3HZ      LYS  -2 -15.294 -11.339   9.940
   36    HZ2  LYS  -2           1HZ      LYS  -2 -13.790 -12.035   9.579
   37    HZ3  LYS  -2           2HZ      LYS  -2 -15.147 -12.407   8.627
   38    H    ALA  -1           H        ALA  -1 -15.216  -4.773   8.461
   39    HA   ALA  -1           HA       ALA  -1 -13.270  -2.763   8.562
   40    HB1  ALA  -1           1HB      ALA  -1 -15.455  -2.803   9.832
   41    HB2  ALA  -1           2HB      ALA  -1 -14.075  -2.248  10.778
   42    HB3  ALA  -1           3HB      ALA  -1 -14.688  -3.887  10.992
   43    H    GLY   1           H        GLY   1 -11.132  -3.433   8.456
   44    HA2  GLY   1           2HA      GLY   1 -10.059  -5.631   9.963
   45    HA3  GLY   1           1HA      GLY   1  -9.105  -4.374   9.176
   46    H    SER   2           H        SER   2  -8.849  -5.598  11.908
   47    HA   SER   2           HA       SER   2  -9.687  -3.817  13.944
   48    HB2  SER   2           2HB      SER   2  -7.077  -5.359  13.837
   49    HB3  SER   2           1HB      SER   2  -7.869  -4.746  15.287
   50    HG   SER   2           HG       SER   2  -8.539  -6.814  15.136
   51    H    ALA   3           H        ALA   3  -6.994  -3.637  11.684
   52    HA   ALA   3           HA       ALA   3  -5.743  -1.747  11.052
   53    HB1  ALA   3           1HB      ALA   3  -6.821   0.004  13.179
   54    HB2  ALA   3           2HB      ALA   3  -8.015  -0.629  12.047
   55    HB3  ALA   3           3HB      ALA   3  -6.646   0.309  11.450
   56    H    LYS   4           H        LYS   4  -6.152  -2.515  14.474
   57    HA   LYS   4           HA       LYS   4  -3.846  -1.179  15.471
   58    HB2  LYS   4           2HB      LYS   4  -5.104  -3.790  16.370
   59    HB3  LYS   4           1HB      LYS   4  -3.910  -2.877  17.296
   60    HG2  LYS   4           2HG      LYS   4  -5.453  -0.912  17.269
   61    HG3  LYS   4           1HG      LYS   4  -6.661  -1.914  16.463
   62    HD2  LYS   4           2HD      LYS   4  -6.555  -3.508  18.389
   63    HD3  LYS   4           1HD      LYS   4  -5.464  -2.389  19.207
   64    HE2  LYS   4           2HE      LYS   4  -7.259  -1.282  19.989
   65    HE3  LYS   4           1HE      LYS   4  -7.665  -0.843  18.330
   66    HZ1  LYS   4           3HZ      LYS   4  -9.388  -2.119  19.682
   67    HZ2  LYS   4           1HZ      LYS   4  -8.402  -3.477  19.444
   68    HZ3  LYS   4           2HZ      LYS   4  -9.065  -2.665  18.107
   69    H    LYS   5           H        LYS   5  -4.196  -4.557  14.323
   70    HA   LYS   5           HA       LYS   5  -1.396  -5.167  14.528
   71    HB2  LYS   5           2HB      LYS   5  -3.553  -6.367  12.761
   72    HB3  LYS   5           1HB      LYS   5  -1.946  -7.058  12.989
   73    HG2  LYS   5           2HG      LYS   5  -2.389  -7.177  15.445
   74    HG3  LYS   5           1HG      LYS   5  -4.032  -6.611  15.143
   75    HD2  LYS   5           2HD      LYS   5  -4.385  -8.566  13.627
   76    HD3  LYS   5           1HD      LYS   5  -2.782  -9.156  14.069
   77    HE2  LYS   5           2HE      LYS   5  -4.161 -10.312  15.568
   78    HE3  LYS   5           1HE      LYS   5  -3.652  -8.920  16.525
   79    HZ1  LYS   5           3HZ      LYS   5  -6.260  -9.637  15.625
   80    HZ2  LYS   5           1HZ      LYS   5  -5.857  -8.059  15.152
   81    HZ3  LYS   5           2HZ      LYS   5  -5.798  -8.494  16.793
   82    H    GLY   6           H        GLY   6  -3.420  -3.906  11.909
   83    HA2  GLY   6           2HA      GLY   6  -1.435  -3.948   9.859
   84    HA3  GLY   6           1HA      GLY   6  -2.840  -2.881   9.882
   85    H    ALA   7           H        ALA   7  -2.150  -1.620  12.425
   86    HA   ALA   7           HA       ALA   7  -0.561   0.534  11.472
   87    HB1  ALA   7           1HB      ALA   7  -2.108   0.679  13.426
   88    HB2  ALA   7           2HB      ALA   7  -0.496   1.293  13.798
   89    HB3  ALA   7           3HB      ALA   7  -0.980  -0.309  14.356
   90    H    THR   8           H        THR   8   0.311  -2.229  13.551
   91    HA   THR   8           HA       THR   8   3.110  -1.451  13.659
   92    HB   THR   8           HB       THR   8   3.432  -3.597  14.771
   93    HG1  THR   8           1HG      THR   8   0.948  -4.533  14.775
   94   HG21  THR   8          3HG2      THR   8   1.753  -3.387  16.576
   95   HG22  THR   8          1HG2      THR   8   0.796  -2.322  15.546
   96   HG23  THR   8          2HG2      THR   8   2.393  -1.815  16.099
   97    H    LEU   9           H        LEU   9   1.157  -3.713  11.735
   98    HA   LEU   9           HA       LEU   9   3.308  -4.991  10.357
   99    HB2  LEU   9           2HB      LEU   9   0.686  -5.418  10.335
  100    HB3  LEU   9           1HB      LEU   9   0.734  -4.331   8.951
  101    HG   LEU   9           HG       LEU   9   0.946  -6.574   8.103
  102   HD11  LEU   9          1HD1      LEU   9   3.785  -5.556   8.181
  103   HD12  LEU   9          2HD1      LEU   9   2.531  -4.733   7.252
  104   HD13  LEU   9          3HD1      LEU   9   2.959  -6.398   6.872
  105   HD21  LEU   9          3HD2      LEU   9   2.286  -7.023  10.564
  106   HD22  LEU   9          1HD2      LEU   9   3.438  -7.396   9.282
  107   HD23  LEU   9          2HD2      LEU   9   1.876  -8.212   9.331
  108    H    PHE  10           H        PHE  10   1.469  -2.042   9.715
  109    HA   PHE  10           HA       PHE  10   2.796  -1.323   7.271
  110    HB2  PHE  10           2HB      PHE  10   0.635  -0.342   8.088
  111    HB3  PHE  10           1HB      PHE  10   1.531   0.484   9.358
  112    HD1  PHE  10           2HD      PHE  10   1.048   0.231   5.685
  113    HD2  PHE  10           1HD      PHE  10   2.827   2.444   8.908
  114    HE1  PHE  10           2HE      PHE  10   1.570   2.087   4.124
  115    HE2  PHE  10           1HE      PHE  10   3.339   4.298   7.348
  116    HZ   PHE  10           HZ       PHE  10   2.718   4.124   4.962
  117    H    LYS  11           H        LYS  11   3.305  -0.425  10.667
  118    HA   LYS  11           HA       LYS  11   5.548   1.289  10.259
  119    HB2  LYS  11           2HB      LYS  11   4.155   1.058  12.373
  120    HB3  LYS  11           1HB      LYS  11   5.031  -0.436  12.690
  121    HG2  LYS  11           2HG      LYS  11   7.173   0.812  12.615
  122    HG3  LYS  11           1HG      LYS  11   6.274   2.310  12.363
  123    HD2  LYS  11           2HD      LYS  11   5.061   1.871  14.518
  124    HD3  LYS  11           1HD      LYS  11   6.129   0.494  14.786
  125    HE2  LYS  11           2HE      LYS  11   7.877   2.567  14.156
  126    HE3  LYS  11           1HE      LYS  11   6.653   3.343  15.160
  127    HZ1  LYS  11           3HZ      LYS  11   7.844   2.509  16.840
  128    HZ2  LYS  11           1HZ      LYS  11   8.630   1.364  15.868
  129    HZ3  LYS  11           2HZ      LYS  11   7.075   1.039  16.471
  130    H    THR  12           H        THR  12   5.318  -2.199  10.832
  131    HA   THR  12           HA       THR  12   8.149  -2.615  11.111
  132    HB   THR  12           HB       THR  12   7.621  -4.989  10.888
  133    HG1  THR  12           1HG      THR  12   4.988  -4.180  10.257
  134   HG21  THR  12          3HG2      THR  12   6.962  -4.690  13.023
  135   HG22  THR  12          1HG2      THR  12   5.311  -4.658  12.407
  136   HG23  THR  12          2HG2      THR  12   6.193  -3.149  12.643
  137    H    ARG  13           H        ARG  13   6.030  -2.550   8.261
  138    HA   ARG  13           HA       ARG  13   8.480  -2.654   6.605
  139    HB2  ARG  13           2HB      ARG  13   6.180  -4.601   6.322
  140    HB3  ARG  13           1HB      ARG  13   7.445  -4.389   5.115
  141    HG2  ARG  13           2HG      ARG  13   9.141  -4.933   6.884
  142    HG3  ARG  13           1HG      ARG  13   7.809  -5.300   7.982
  143    HD2  ARG  13           2HD      ARG  13   8.381  -6.675   5.340
  144    HD3  ARG  13           1HD      ARG  13   8.599  -7.368   6.947
  145    HE   ARG  13           HE       ARG  13   5.870  -6.448   6.375
  146   HH11  ARG  13          1HH2      ARG  13   8.201  -8.988   6.336
  147   HH12  ARG  13          2HH2      ARG  13   7.018 -10.253   6.330
  148   HH21  ARG  13          1HH1      ARG  13   4.312  -8.085   6.367
  149   HH22  ARG  13          2HH1      ARG  13   4.816  -9.741   6.348
  150    H    CYS  14           H        CYS  14   7.140  -0.321   6.804
  151    HA   CYS  14           HA       CYS  14   6.270   0.150   4.110
  152    HB2  CYS  14           2HB      CYS  14   4.280  -1.062   5.348
  153    HB3  CYS  14           1HB      CYS  14   4.001   0.543   6.018
  154    H    LEU  15           H        LEU  15   5.738   1.360   7.434
  155    HA   LEU  15           HA       LEU  15   5.532   4.101   6.778
  156    HB2  LEU  15           2HB      LEU  15   5.070   3.153   9.032
  157    HB3  LEU  15           1HB      LEU  15   6.800   2.912   9.261
  158    HG   LEU  15           HG       LEU  15   7.020   5.448   8.767
  159   HD11  LEU  15          1HD1      LEU  15   4.054   5.179   9.314
  160   HD12  LEU  15          2HD1      LEU  15   4.825   5.933   7.916
  161   HD13  LEU  15          3HD1      LEU  15   4.935   6.695   9.501
  162   HD21  LEU  15          3HD2      LEU  15   5.629   4.458  11.271
  163   HD22  LEU  15          1HD2      LEU  15   6.505   5.982  11.131
  164   HD23  LEU  15          2HD2      LEU  15   7.369   4.453  10.981
  165    H    GLN  16           H        GLN  16   8.422   2.108   7.278
  166    HA   GLN  16           HA       GLN  16  10.352   4.171   7.368
  167    HB2  GLN  16           2HB      GLN  16  10.551   1.411   6.125
  168    HB3  GLN  16           1HB      GLN  16  11.929   2.462   6.459
  169    HG2  GLN  16           2HG      GLN  16  11.367   2.472   8.849
  170    HG3  GLN  16           1HG      GLN  16   9.959   1.458   8.533
  171   HE21  GLN  16          1HE2      GLN  16  12.029   0.556  10.279
  172   HE22  GLN  16          2HE2      GLN  16  12.830  -0.748   9.542
  173    H    CYS  17           H        CYS  17   8.700   2.720   4.596
  174    HA   CYS  17           HA       CYS  17  10.280   4.440   2.759
  175    HB2  CYS  17           2HB      CYS  17   8.294   2.214   2.262
  176    HB3  CYS  17           1HB      CYS  17   9.061   3.153   0.980
  177    H    HIS  18           H        HIS  18   6.874   3.802   3.646
  178    HA   HIS  18           HA       HIS  18   6.114   6.257   2.135
  179    HB2  HIS  18           2HB      HIS  18   4.515   3.908   3.185
  180    HB3  HIS  18           1HB      HIS  18   3.757   5.370   2.545
  181    HD1  HIS  18           1HD      HIS  18   4.387   5.961  -0.019
  182    HD2  HIS  18           2HD      HIS  18   5.384   2.127   1.263
  183    HE1  HIS  18           1HE      HIS  18   4.798   4.589  -2.118
  184    H    THR  19           H        THR  19   5.758   8.087   3.270
  185    HA   THR  19           HA       THR  19   5.664   7.990   6.206
  186    HB   THR  19           HB       THR  19   5.967  10.333   6.136
  187    HG1  THR  19           1HG      THR  19   4.252  10.159   4.149
  188   HG21  THR  19          3HG2      THR  19   7.596   8.709   4.584
  189   HG22  THR  19          1HG2      THR  19   7.968  10.354   5.093
  190   HG23  THR  19          2HG2      THR  19   7.234  10.066   3.517
  191    H    VAL  20           H        VAL  20   3.454   8.309   3.543
  192    HA   VAL  20           HA       VAL  20   1.164   8.823   3.465
  193    HB   VAL  20           HB       VAL  20   1.191   6.506   4.336
  194   HG11  VAL  20          1HG1      VAL  20   1.224   7.900   7.028
  195   HG12  VAL  20          2HG1      VAL  20   2.379   6.717   6.416
  196   HG13  VAL  20          3HG1      VAL  20   0.738   6.222   6.815
  197   HG21  VAL  20          3HG2      VAL  20  -1.008   7.466   5.957
  198   HG22  VAL  20          1HG2      VAL  20  -1.054   6.634   4.402
  199   HG23  VAL  20          2HG2      VAL  20  -0.893   8.390   4.460
  200    H    GLU  21           H        GLU  21   2.613  10.939   4.648
  201    HA   GLU  21           HA       GLU  21   0.919  11.772   6.955
  202    HB2  GLU  21           2HB      GLU  21   3.423  13.037   5.793
  203    HB3  GLU  21           1HB      GLU  21   2.548  13.630   7.203
  204    HG2  GLU  21           2HG      GLU  21   2.937  11.420   8.312
  205    HG3  GLU  21           1HG      GLU  21   3.926  10.950   6.931
  206    H    LYS  22           H        LYS  22  -0.031  13.958   6.881
  207    HA   LYS  22           HA       LYS  22  -1.337  14.484   4.364
  208    HB2  LYS  22           2HB      LYS  22  -2.318  15.033   6.604
  209    HB3  LYS  22           1HB      LYS  22  -1.123  16.321   6.765
  210    HG2  LYS  22           2HG      LYS  22  -1.977  17.419   4.759
  211    HG3  LYS  22           1HG      LYS  22  -3.114  16.099   4.489
  212    HD2  LYS  22           2HD      LYS  22  -4.311  17.913   5.558
  213    HD3  LYS  22           1HD      LYS  22  -4.130  16.606   6.729
  214    HE2  LYS  22           2HE      LYS  22  -2.476  17.744   7.941
  215    HE3  LYS  22           1HE      LYS  22  -2.070  18.795   6.584
  216    HZ1  LYS  22           3HZ      LYS  22  -3.627  19.532   8.614
  217    HZ2  LYS  22           1HZ      LYS  22  -4.804  18.967   7.534
  218    HZ3  LYS  22           2HZ      LYS  22  -3.736  20.201   7.057
  219    H    GLY  23           H        GLY  23  -0.923  16.109   2.853
  220    HA2  GLY  23           2HA      GLY  23   0.210  18.098   2.057
  221    HA3  GLY  23           1HA      GLY  23   1.423  17.876   3.318
  222    H    GLY  24           H        GLY  24   1.044  14.856   2.265
  223    HA2  GLY  24           2HA      GLY  24   2.466  13.470   0.999
  224    HA3  GLY  24           1HA      GLY  24   2.076  14.591  -0.302
  225    HA   PRO  25           HA       PRO  25   6.039  16.513   1.731
  226    HB2  PRO  25           2HB      PRO  25   7.310  14.809   3.530
  227    HB3  PRO  25           1HB      PRO  25   6.281  16.181   3.976
  228    HG2  PRO  25           2HG      PRO  25   5.649  13.288   3.904
  229    HG3  PRO  25           1HG      PRO  25   5.063  14.551   4.999
  230    HD2  PRO  25           2HD      PRO  25   3.543  13.541   2.980
  231    HD3  PRO  25           1HD      PRO  25   3.380  15.214   3.554
  232    H    HIS  26           H        HIS  26   5.767  13.063   1.144
  233    HA   HIS  26           HA       HIS  26   7.066  11.602  -0.138
  234    HB2  HIS  26           2HB      HIS  26   7.823  14.216  -1.471
  235    HB3  HIS  26           1HB      HIS  26   8.134  12.612  -2.139
  236    HD1  HIS  26           1HD      HIS  26   5.728  11.070  -2.057
  237    HD2  HIS  26           2HD      HIS  26   5.460  15.209  -2.489
  238    HE1  HIS  26           1HE      HIS  26   3.441  11.540  -3.037
  239    HE2  HIS  26           2HE      HIS  26   3.265  14.058  -3.302
  240    H    LYS  27           H        LYS  27   8.275  12.183   2.301
  241    HA   LYS  27           HA       LYS  27  10.925  13.205   2.161
  242    HB2  LYS  27           2HB      LYS  27   9.806  10.985   3.899
  243    HB3  LYS  27           1HB      LYS  27  11.368  11.762   4.156
  244    HG2  LYS  27           2HG      LYS  27  10.180  13.966   4.323
  245    HG3  LYS  27           1HG      LYS  27   8.648  13.096   4.235
  246    HD2  LYS  27           2HD      LYS  27   9.330  11.777   6.247
  247    HD3  LYS  27           1HD      LYS  27  10.782  12.770   6.364
  248    HE2  LYS  27           2HE      LYS  27   8.030  14.005   6.291
  249    HE3  LYS  27           1HE      LYS  27   8.765  13.475   7.804
  250    HZ1  LYS  27           3HZ      LYS  27  10.405  15.046   7.667
  251    HZ2  LYS  27           1HZ      LYS  27   9.119  15.890   6.954
  252    HZ3  LYS  27           2HZ      LYS  27  10.311  15.177   5.976
  253    H    VAL  28           H        VAL  28   9.590  10.050   1.352
  254    HA   VAL  28           HA       VAL  28  12.114   9.401  -0.073
  255    HB   VAL  28           HB       VAL  28  10.690   7.413   1.724
  256   HG11  VAL  28          1HG1      VAL  28  12.136   6.785  -0.392
  257   HG12  VAL  28          2HG1      VAL  28  12.350   5.898   1.117
  258   HG13  VAL  28          3HG1      VAL  28  13.490   7.168   0.671
  259   HG21  VAL  28          3HG2      VAL  28  12.734   7.656   3.169
  260   HG22  VAL  28          1HG2      VAL  28  11.728   9.104   3.131
  261   HG23  VAL  28          2HG2      VAL  28  13.213   9.036   2.180
  262    H    GLY  29           H        GLY  29  10.115   6.714   0.207
  263    HA2  GLY  29           2HA      GLY  29   9.313   6.728  -2.524
  264    HA3  GLY  29           1HA      GLY  29   8.562   5.736  -1.267
  265    HA   PRO  30           HA       PRO  30   5.904   9.485  -2.795
  266    HB2  PRO  30           2HB      PRO  30   3.892   7.703  -3.726
  267    HB3  PRO  30           1HB      PRO  30   4.921   8.759  -4.699
  268    HG2  PRO  30           2HG      PRO  30   5.103   5.884  -4.251
  269    HG3  PRO  30           1HG      PRO  30   5.809   6.884  -5.529
  270    HD2  PRO  30           2HD      PRO  30   7.258   5.735  -3.462
  271    HD3  PRO  30           1HD      PRO  30   7.790   7.146  -4.398
  272    H    ASN  31           H        ASN  31   4.374  10.222  -1.337
  273    HA   ASN  31           HA       ASN  31   3.608   8.369   0.827
  274    HB2  ASN  31           2HB      ASN  31   3.287  11.359   0.457
  275    HB3  ASN  31           1HB      ASN  31   2.666  10.483   1.856
  276   HD21  ASN  31          1HD2      ASN  31   4.740  12.471   2.139
  277   HD22  ASN  31          2HD2      ASN  31   6.164  11.683   2.612
  278    H    LEU  32           H        LEU  32   1.537   7.635   1.160
  279    HA   LEU  32           HA       LEU  32  -0.368   8.078  -1.054
  280    HB2  LEU  32           2HB      LEU  32  -0.442   6.178   1.309
  281    HB3  LEU  32           1HB      LEU  32  -1.636   6.224   0.014
  282    HG   LEU  32           HG       LEU  32   0.227   5.818  -1.629
  283   HD11  LEU  32          1HD1      LEU  32   2.250   6.378  -0.675
  284   HD12  LEU  32          2HD1      LEU  32   2.240   4.656  -0.301
  285   HD13  LEU  32          3HD1      LEU  32   1.768   5.827   0.929
  286   HD21  LEU  32          3HD2      LEU  32  -0.946   3.860  -1.218
  287   HD22  LEU  32          1HD2      LEU  32  -0.592   3.891   0.510
  288   HD23  LEU  32          2HD2      LEU  32   0.651   3.387  -0.636
  289    H    HIS  33           H        HIS  33  -2.286   9.138  -0.843
  290    HA   HIS  33           HA       HIS  33  -3.487   9.727   1.740
  291    HB2  HIS  33           2HB      HIS  33  -1.670  11.445   1.630
  292    HB3  HIS  33           1HB      HIS  33  -2.363  12.037   0.121
  293    HD1  HIS  33           1HD      HIS  33  -3.631  11.317   3.659
  294    HD2  HIS  33           2HD      HIS  33  -4.161  14.076   0.576
  295    HE1  HIS  33           1HE      HIS  33  -5.276  13.046   4.517
  296    HE2  HIS  33           2HE      HIS  33  -5.603  14.728   2.647
  297    H    GLY  34           H        GLY  34  -5.297   8.743   0.728
  298    HA2  GLY  34           2HA      GLY  34  -7.446   9.150  -0.265
  299    HA3  GLY  34           1HA      GLY  34  -6.760  10.539  -1.114
  300    H    ILE  35           H        ILE  35  -4.622   7.999  -1.323
  301    HA   ILE  35           HA       ILE  35  -4.821   7.698  -4.125
  302    HB   ILE  35           HB       ILE  35  -2.886   7.014  -2.599
  303   HG12  ILE  35          2HG1      ILE  35  -3.681   4.789  -4.483
  304   HG13  ILE  35          1HG1      ILE  35  -3.251   6.385  -5.097
  305   HG21  ILE  35          1HG2      ILE  35  -4.322   4.372  -2.430
  306   HG22  ILE  35          2HG2      ILE  35  -4.552   5.597  -1.186
  307   HG23  ILE  35          3HG2      ILE  35  -2.945   4.942  -1.491
  308   HD11  ILE  35          3HD1      ILE  35  -1.306   4.808  -5.011
  309   HD12  ILE  35          1HD1      ILE  35  -1.491   4.738  -3.259
  310   HD13  ILE  35          2HD1      ILE  35  -1.064   6.261  -4.041
  311    H    PHE  36           H        PHE  36  -6.697   6.264  -1.584
  312    HA   PHE  36           HA       PHE  36  -7.598   3.917  -2.940
  313    HB2  PHE  36           2HB      PHE  36  -8.871   5.677  -0.830
  314    HB3  PHE  36           1HB      PHE  36  -9.624   4.196  -1.415
  315    HD1  PHE  36           1HD      PHE  36  -6.708   5.593   0.397
  316    HD2  PHE  36           2HD      PHE  36  -8.748   2.021  -0.852
  317    HE1  PHE  36           1HE      PHE  36  -5.300   4.244   1.934
  318    HE2  PHE  36           2HE      PHE  36  -7.340   0.678   0.684
  319    HZ   PHE  36           HZ       PHE  36  -5.616   1.790   2.075
  320    H    GLY  37           H        GLY  37  -9.117   3.667  -4.545
  321    HA2  GLY  37           2HA      GLY  37 -10.764   4.240  -6.126
  322    HA3  GLY  37           1HA      GLY  37 -11.160   5.633  -5.117
  323    H    ARG  38           H        ARG  38  -7.856   5.212  -6.092
  324    HA   ARG  38           HA       ARG  38  -8.213   7.241  -8.247
  325    HB2  ARG  38           2HB      ARG  38  -6.176   7.332  -6.006
  326    HB3  ARG  38           1HB      ARG  38  -6.159   8.392  -7.413
  327    HG2  ARG  38           2HG      ARG  38  -8.487   9.125  -6.799
  328    HG3  ARG  38           1HG      ARG  38  -8.329   8.195  -5.310
  329    HD2  ARG  38           2HD      ARG  38  -6.212   9.528  -4.842
  330    HD3  ARG  38           1HD      ARG  38  -6.676  10.572  -6.183
  331    HE   ARG  38           HE       ARG  38  -8.902  10.359  -4.422
  332   HH11  ARG  38          1HH2      ARG  38  -5.682  11.586  -4.586
  333   HH12  ARG  38          2HH2      ARG  38  -5.979  12.882  -3.478
  334   HH21  ARG  38          1HH1      ARG  38  -9.305  12.047  -2.973
  335   HH22  ARG  38          2HH1      ARG  38  -8.029  13.145  -2.564
  336    H    HIS  39           H        HIS  39  -6.328   7.347  -9.720
  337    HA   HIS  39           HA       HIS  39  -5.139   4.650 -10.067
  338    HB2  HIS  39           2HB      HIS  39  -5.314   7.033 -11.936
  339    HB3  HIS  39           1HB      HIS  39  -4.546   5.499 -12.344
  340    HD1  HIS  39           1HD      HIS  39  -7.894   7.090 -11.811
  341    HD2  HIS  39           2HD      HIS  39  -6.364   3.317 -12.720
  342    HE1  HIS  39           1HE      HIS  39  -9.864   5.674 -12.548
  343    HE2  HIS  39           2HE      HIS  39  -8.943   3.375 -13.103
  344    H    SER  40           H        SER  40  -2.836   4.447 -10.452
  345    HA   SER  40           HA       SER  40  -1.220   6.091  -8.741
  346    HB2  SER  40           2HB      SER  40   0.595   4.728  -9.413
  347    HB3  SER  40           1HB      SER  40  -0.803   3.666  -9.527
  348    HG   SER  40           HG       SER  40   0.182   3.439 -11.447
  349    H    GLY  41           H        GLY  41   0.592   7.457  -9.425
  350    HA2  GLY  41           2HA      GLY  41   1.729   8.881 -10.976
  351    HA3  GLY  41           1HA      GLY  41   0.524   8.470 -12.194
  352    H    GLN  42           H        GLN  42  -1.608   9.021 -10.055
  353    HA   GLN  42           HA       GLN  42  -2.232  11.681 -10.858
  354    HB2  GLN  42           2HB      GLN  42  -3.866   9.992  -9.955
  355    HB3  GLN  42           1HB      GLN  42  -3.208  10.297  -8.347
  356    HG2  GLN  42           2HG      GLN  42  -3.811  12.665  -8.517
  357    HG3  GLN  42           1HG      GLN  42  -4.403  12.415 -10.159
  358   HE21  GLN  42          1HE2      GLN  42  -6.249  13.413  -8.357
  359   HE22  GLN  42          2HE2      GLN  42  -7.365  12.211  -7.921
  360    H    ALA  43           H        ALA  43  -0.514  10.453  -8.005
  361    HA   ALA  43           HA       ALA  43  -0.482  12.859  -6.498
  362    HB1  ALA  43           1HB      ALA  43   0.327  10.596  -5.716
  363    HB2  ALA  43           2HB      ALA  43   1.415  11.927  -5.323
  364    HB3  ALA  43           3HB      ALA  43   1.785  10.855  -6.674
  365    H    GLU  44           H        GLU  44   1.763  11.699  -8.999
  366    HA   GLU  44           HA       GLU  44   3.350  12.839 -10.282
  367    HB2  GLU  44           2HB      GLU  44   1.563  15.193  -9.608
  368    HB3  GLU  44           1HB      GLU  44   2.806  15.187 -10.856
  369    HG2  GLU  44           2HG      GLU  44   1.646  13.292 -11.972
  370    HG3  GLU  44           1HG      GLU  44   0.372  13.381 -10.754
  371    H    GLY  45           H        GLY  45   2.780  13.884  -7.016
  372    HA2  GLY  45           2HA      GLY  45   4.801  15.845  -6.726
  373    HA3  GLY  45           1HA      GLY  45   4.248  14.785  -5.429
  374    H    TYR  46           H        TYR  46   4.982  12.323  -6.801
  375    HA   TYR  46           HA       TYR  46   7.966  12.560  -6.730
  376    HB2  TYR  46           2HB      TYR  46   6.968  11.469  -4.687
  377    HB3  TYR  46           1HB      TYR  46   6.323  10.213  -5.742
  378    HD1  TYR  46           1HD      TYR  46   9.493  11.871  -4.684
  379    HD2  TYR  46           2HD      TYR  46   7.677   8.408  -6.459
  380    HE1  TYR  46           1HE      TYR  46  11.673  10.691  -4.612
  381    HE2  TYR  46           2HE      TYR  46   9.859   7.227  -6.390
  382    HH   TYR  46           HH       TYR  46  12.147   7.698  -4.659
  383    H    SER  47           H        SER  47   9.069  11.389  -8.320
  384    HA   SER  47           HA       SER  47   7.644  10.748 -10.719
  385    HB2  SER  47           2HB      SER  47   9.757  10.070 -11.602
  386    HB3  SER  47           1HB      SER  47  10.105  11.395 -10.494
  387    HG   SER  47           HG       SER  47  10.049   8.812  -9.450
  388    H    TYR  48           H        TYR  48   7.557   8.597 -11.752
  389    HA   TYR  48           HA       TYR  48   7.209   6.414  -9.733
  390    HB2  TYR  48           2HB      TYR  48   5.706   6.996 -12.297
  391    HB3  TYR  48           1HB      TYR  48   5.569   5.470 -11.423
  392    HD1  TYR  48           1HD      TYR  48   5.303   9.174 -10.898
  393    HD2  TYR  48           2HD      TYR  48   4.031   5.256  -9.683
  394    HE1  TYR  48           1HE      TYR  48   3.648  10.189  -9.352
  395    HE2  TYR  48           2HE      TYR  48   2.380   6.270  -8.141
  396    HH   TYR  48           HH       TYR  48   1.585   8.142  -7.275
  397    H    THR  49           H        THR  49   7.928   4.311 -10.346
  398    HA   THR  49           HA       THR  49  10.228   4.313 -12.127
  399    HB   THR  49           HB       THR  49  10.502   2.002 -11.473
  400    HG1  THR  49           1HG      THR  49   8.647   1.274  -9.997
  401   HG21  THR  49          3HG2      THR  49  10.038   4.116  -9.562
  402   HG22  THR  49          1HG2      THR  49  11.225   2.814  -9.509
  403   HG23  THR  49          2HG2      THR  49   9.606   2.557  -8.858
  404    H    ASP  50           H        ASP  50  10.422   2.753 -13.952
  405    HA   ASP  50           HA       ASP  50   8.426   3.102 -15.908
  406    HB2  ASP  50           2HB      ASP  50  10.527   0.948 -15.641
  407    HB3  ASP  50           1HB      ASP  50   9.552   1.187 -17.090
  408    H    ALA  51           H        ALA  51   8.788   0.576 -13.478
  409    HA   ALA  51           HA       ALA  51   7.021  -1.363 -14.484
  410    HB1  ALA  51           1HB      ALA  51   6.806  -2.156 -12.242
  411    HB2  ALA  51           2HB      ALA  51   7.152  -0.563 -11.571
  412    HB3  ALA  51           3HB      ALA  51   8.430  -1.481 -12.367
  413    H    ASN  52           H        ASN  52   5.954   0.796 -11.836
  414    HA   ASN  52           HA       ASN  52   3.203   0.449 -12.314
  415    HB2  ASN  52           2HB      ASN  52   4.129   1.517 -10.277
  416    HB3  ASN  52           1HB      ASN  52   4.550   2.940 -11.230
  417   HD21  ASN  52          1HD2      ASN  52   1.729   1.006 -10.099
  418   HD22  ASN  52          2HD2      ASN  52   0.606   2.267 -10.288
  419    H    ILE  53           H        ILE  53   5.390   2.918 -13.705
  420    HA   ILE  53           HA       ILE  53   3.390   4.392 -15.081
  421    HB   ILE  53           HB       ILE  53   6.270   3.851 -15.858
  422   HG12  ILE  53          2HG1      ILE  53   5.027   6.225 -14.437
  423   HG13  ILE  53          1HG1      ILE  53   5.875   4.920 -13.613
  424   HG21  ILE  53          1HG2      ILE  53   5.939   6.065 -17.078
  425   HG22  ILE  53          2HG2      ILE  53   4.209   5.825 -16.840
  426   HG23  ILE  53          3HG2      ILE  53   5.138   4.666 -17.790
  427   HD11  ILE  53          3HD1      ILE  53   7.260   7.007 -14.174
  428   HD12  ILE  53          1HD1      ILE  53   7.155   6.486 -15.856
  429   HD13  ILE  53          2HD1      ILE  53   7.942   5.454 -14.661
  430    H    LYS  54           H        LYS  54   5.349   1.603 -16.142
  431    HA   LYS  54           HA       LYS  54   4.218   1.387 -18.752
  432    HB2  LYS  54           2HB      LYS  54   6.270   0.177 -17.963
  433    HB3  LYS  54           1HB      LYS  54   5.230  -0.875 -17.003
  434    HG2  LYS  54           2HG      LYS  54   4.025  -1.542 -19.070
  435    HG3  LYS  54           1HG      LYS  54   5.127  -0.538 -20.015
  436    HD2  LYS  54           2HD      LYS  54   7.040  -1.879 -19.094
  437    HD3  LYS  54           1HD      LYS  54   5.864  -2.948 -18.328
  438    HE2  LYS  54           2HE      LYS  54   6.079  -4.105 -20.293
  439    HE3  LYS  54           1HE      LYS  54   4.880  -2.934 -20.845
  440    HZ1  LYS  54           3HZ      LYS  54   6.762  -1.502 -21.543
  441    HZ2  LYS  54           1HZ      LYS  54   6.663  -2.963 -22.400
  442    HZ3  LYS  54           2HZ      LYS  54   7.825  -2.775 -21.174
  443    H    LYS  55           H        LYS  55   3.195   0.116 -15.612
  444    HA   LYS  55           HA       LYS  55   0.621  -0.723 -16.893
  445    HB2  LYS  55           2HB      LYS  55   2.023  -2.662 -16.147
  446    HB3  LYS  55           1HB      LYS  55   1.976  -2.016 -14.507
  447    HG2  LYS  55           2HG      LYS  55  -0.497  -2.157 -14.530
  448    HG3  LYS  55           1HG      LYS  55  -0.433  -2.848 -16.153
  449    HD2  LYS  55           2HD      LYS  55   0.992  -4.702 -15.239
  450    HD3  LYS  55           1HD      LYS  55   0.725  -4.049 -13.624
  451    HE2  LYS  55           2HE      LYS  55  -1.798  -4.286 -15.002
  452    HE3  LYS  55           1HE      LYS  55  -0.949  -5.832 -15.046
  453    HZ1  LYS  55           3HZ      LYS  55  -2.221  -4.557 -12.859
  454    HZ2  LYS  55           1HZ      LYS  55  -0.587  -4.835 -12.501
  455    HZ3  LYS  55           2HZ      LYS  55  -1.586  -6.129 -12.962
  456    H    ASN  56           H        ASN  56  -0.970   0.621 -16.186
  457    HA   ASN  56           HA       ASN  56  -0.653   1.890 -13.511
  458    HB2  ASN  56           2HB      ASN  56  -1.119   3.340 -15.520
  459    HB3  ASN  56           1HB      ASN  56  -2.688   2.546 -15.659
  460   HD21  ASN  56          1HD2      ASN  56  -0.707   4.103 -13.065
  461   HD22  ASN  56          2HD2      ASN  56  -2.018   4.893 -12.333
  462    H    VAL  57           H        VAL  57  -2.076   1.440 -11.867
  463    HA   VAL  57           HA       VAL  57  -4.372  -0.364 -12.499
  464    HB   VAL  57           HB       VAL  57  -2.496  -1.667 -11.547
  465   HG11  VAL  57          1HG1      VAL  57  -1.844   0.534 -10.170
  466   HG12  VAL  57          2HG1      VAL  57  -1.403  -1.075  -9.602
  467   HG13  VAL  57          3HG1      VAL  57  -2.817  -0.259  -8.932
  468   HG21  VAL  57          3HG2      VAL  57  -4.957  -2.116 -11.001
  469   HG22  VAL  57          1HG2      VAL  57  -4.660  -1.309  -9.461
  470   HG23  VAL  57          2HG2      VAL  57  -3.783  -2.784  -9.866
  471    H    LEU  58           H        LEU  58  -6.215  -0.073 -11.192
  472    HA   LEU  58           HA       LEU  58  -6.464   2.565  -9.962
  473    HB2  LEU  58           2HB      LEU  58  -8.351   1.575 -11.206
  474    HB3  LEU  58           1HB      LEU  58  -8.401   0.228 -10.069
  475    HG   LEU  58           HG       LEU  58  -8.851   1.852  -8.223
  476   HD11  LEU  58          1HD1      LEU  58  -9.785   4.108  -9.462
  477   HD12  LEU  58          2HD1      LEU  58  -8.370   3.732 -10.444
  478   HD13  LEU  58          3HD1      LEU  58  -8.197   3.973  -8.705
  479   HD21  LEU  58          3HD2      LEU  58 -11.102   2.677  -9.653
  480   HD22  LEU  58          1HD2      LEU  58 -10.946   1.185  -8.725
  481   HD23  LEU  58          2HD2      LEU  58 -10.603   1.187 -10.455
  482    H    TRP  59           H        TRP  59  -6.291   3.008  -7.793
  483    HA   TRP  59           HA       TRP  59  -5.617   0.721  -6.033
  484    HB2  TRP  59           2HB      TRP  59  -5.263   3.712  -5.750
  485    HB3  TRP  59           1HB      TRP  59  -4.929   2.577  -4.438
  486    HD1  TRP  59           HD       TRP  59  -3.448   3.998  -7.544
  487    HE1  TRP  59           1HE      TRP  59  -1.216   2.823  -8.078
  488    HE3  TRP  59           3HE      TRP  59  -3.688   0.114  -4.251
  489    HZ2  TRP  59           2HZ      TRP  59   0.268   0.533  -7.227
  490    HZ3  TRP  59           3HZ      TRP  59  -1.857  -1.540  -4.125
  491    HH2  TRP  59           HH       TRP  59   0.123  -1.339  -5.606
  492    H    ASP  60           H        ASP  60  -7.018  -0.036  -4.612
  493    HA   ASP  60           HA       ASP  60  -9.037   1.660  -3.331
  494    HB2  ASP  60           2HB      ASP  60 -10.049   0.882  -5.539
  495    HB3  ASP  60           1HB      ASP  60  -9.944  -0.762  -4.910
  496    H    GLU  61           H        GLU  61 -10.334   0.159  -1.735
  497    HA   GLU  61           HA       GLU  61  -8.475  -1.192  -0.071
  498    HB2  GLU  61           2HB      GLU  61 -11.485  -1.519  -0.252
  499    HB3  GLU  61           1HB      GLU  61 -10.487  -2.129   1.068
  500    HG2  GLU  61           2HG      GLU  61  -9.706   0.183   1.522
  501    HG3  GLU  61           1HG      GLU  61 -10.768   0.775   0.243
  502    H    ASN  62           H        ASN  62 -10.650  -2.448  -2.589
  503    HA   ASN  62           HA       ASN  62  -9.984  -5.226  -2.083
  504    HB2  ASN  62           2HB      ASN  62 -10.792  -4.613  -4.826
  505    HB3  ASN  62           1HB      ASN  62 -11.598  -5.619  -3.623
  506   HD21  ASN  62          1HD2      ASN  62 -11.311  -2.293  -4.836
  507   HD22  ASN  62          2HD2      ASN  62 -12.705  -1.708  -4.061
  508    H    ASN  63           H        ASN  63  -8.965  -2.842  -4.532
  509    HA   ASN  63           HA       ASN  63  -7.119  -4.525  -5.892
  510    HB2  ASN  63           2HB      ASN  63  -7.973  -2.248  -6.636
  511    HB3  ASN  63           1HB      ASN  63  -6.814  -1.540  -5.510
  512   HD21  ASN  63          1HD2      ASN  63  -4.799  -1.108  -6.408
  513   HD22  ASN  63          2HD2      ASN  63  -4.146  -1.890  -7.765
  514    H    MET  64           H        MET  64  -6.744  -2.489  -3.018
  515    HA   MET  64           HA       MET  64  -3.919  -2.621  -2.793
  516    HB2  MET  64           2HB      MET  64  -6.049  -2.503  -0.639
  517    HB3  MET  64           1HB      MET  64  -4.325  -2.273  -0.338
  518    HG2  MET  64           2HG      MET  64  -5.407  -0.653  -2.553
  519    HG3  MET  64           1HG      MET  64  -6.057  -0.250  -0.963
  520    HE1  MET  64           3HE      MET  64  -5.141   1.719  -2.191
  521    HE2  MET  64           1HE      MET  64  -3.459   2.266  -2.202
  522    HE3  MET  64           2HE      MET  64  -4.428   2.418  -0.738
  523    H    SER  65           H        SER  65  -6.426  -4.890  -1.668
  524    HA   SER  65           HA       SER  65  -4.623  -6.644  -0.289
  525    HB2  SER  65           2HB      SER  65  -6.416  -8.298  -0.422
  526    HB3  SER  65           1HB      SER  65  -7.103  -6.721  -0.043
  527    HG   SER  65           HG       SER  65  -8.265  -7.020  -1.763
  528    H    GLU  66           H        GLU  66  -5.629  -6.419  -3.673
  529    HA   GLU  66           HA       GLU  66  -4.425  -8.885  -4.527
  530    HB2  GLU  66           2HB      GLU  66  -5.041  -6.331  -6.042
  531    HB3  GLU  66           1HB      GLU  66  -4.554  -7.845  -6.798
  532    HG2  GLU  66           2HG      GLU  66  -6.513  -8.970  -5.772
  533    HG3  GLU  66           1HG      GLU  66  -7.018  -7.426  -5.086
  534    H    HIS  67           H        HIS  67  -3.232  -5.585  -4.146
  535    HA   HIS  67           HA       HIS  67  -0.759  -5.850  -5.514
  536    HB2  HIS  67           2HB      HIS  67  -1.675  -3.709  -4.674
  537    HB3  HIS  67           1HB      HIS  67  -1.364  -4.232  -3.020
  538    HD1  HIS  67           1HD      HIS  67   0.721  -4.092  -6.222
  539    HD2  HIS  67           2HD      HIS  67   1.028  -3.158  -2.179
  540    HE1  HIS  67           1HE      HIS  67   3.052  -3.159  -5.884
  541    HE2  HIS  67           2HE      HIS  67   3.252  -2.597  -3.418
  542    H    LEU  68           H        LEU  68  -1.559  -6.469  -2.096
  543    HA   LEU  68           HA       LEU  68   1.084  -7.362  -1.386
  544    HB2  LEU  68           2HB      LEU  68  -1.539  -8.144  -0.083
  545    HB3  LEU  68           1HB      LEU  68   0.059  -8.149   0.656
  546    HG   LEU  68           HG       LEU  68  -1.551  -5.748  -0.223
  547   HD11  LEU  68          1HD1      LEU  68  -1.286  -7.142   2.220
  548   HD12  LEU  68          2HD1      LEU  68  -2.085  -5.592   1.953
  549   HD13  LEU  68          3HD1      LEU  68  -0.381  -5.640   2.405
  550   HD21  LEU  68          3HD2      LEU  68   0.503  -4.502   0.739
  551   HD22  LEU  68          1HD2      LEU  68   0.642  -5.169  -0.887
  552   HD23  LEU  68          2HD2      LEU  68   1.370  -6.014   0.477
  553    H    THR  69           H        THR  69  -1.726  -8.906  -2.798
  554    HA   THR  69           HA       THR  69  -1.093 -11.620  -2.302
  555    HB   THR  69           HB       THR  69  -2.400 -10.480  -4.785
  556    HG1  THR  69           1HG      THR  69  -4.027 -11.495  -2.883
  557   HG21  THR  69          3HG2      THR  69  -3.584 -12.895  -4.062
  558   HG22  THR  69          1HG2      THR  69  -1.861 -13.172  -3.806
  559   HG23  THR  69          2HG2      THR  69  -2.445 -12.652  -5.387
  560    H    ASN  70           H        ASN  70   0.083  -9.460  -4.881
  561    HA   ASN  70           HA       ASN  70   2.374 -11.225  -5.289
  562    HB2  ASN  70           2HB      ASN  70   0.274 -12.063  -6.674
  563    HB3  ASN  70           1HB      ASN  70   0.763 -10.774  -7.771
  564   HD21  ASN  70          1HD2      ASN  70   3.117 -10.851  -8.510
  565   HD22  ASN  70          2HD2      ASN  70   3.860 -12.369  -8.662
  566    HA   PRO  71           HA       PRO  71   2.786  -6.569  -6.022
  567    HB2  PRO  71           2HB      PRO  71   5.302  -7.198  -4.572
  568    HB3  PRO  71           1HB      PRO  71   4.173  -5.852  -4.339
  569    HG2  PRO  71           2HG      PRO  71   4.331  -7.945  -2.650
  570    HG3  PRO  71           1HG      PRO  71   2.837  -7.040  -2.937
  571    HD2  PRO  71           2HD      PRO  71   3.567  -9.771  -3.836
  572    HD3  PRO  71           1HD      PRO  71   1.967  -9.056  -3.587
  573    H    ALA  72           H        ALA  72   4.690  -9.434  -6.614
  574    HA   ALA  72           HA       ALA  72   6.756  -8.179  -8.197
  575    HB1  ALA  72           1HB      ALA  72   7.181 -10.509  -9.008
  576    HB2  ALA  72           2HB      ALA  72   5.737 -11.035  -8.142
  577    HB3  ALA  72           3HB      ALA  72   7.117 -10.394  -7.248
  578    H    LYS  73           H        LYS  73   4.438 -10.554  -9.501
  579    HA   LYS  73           HA       LYS  73   4.552  -9.558 -12.151
  580    HB2  LYS  73           2HB      LYS  73   3.617 -11.784 -11.493
  581    HB3  LYS  73           1HB      LYS  73   2.200 -10.957 -10.843
  582    HG2  LYS  73           2HG      LYS  73   1.772  -9.973 -13.085
  583    HG3  LYS  73           1HG      LYS  73   3.149 -10.872 -13.723
  584    HD2  LYS  73           2HD      LYS  73   2.041 -12.992 -12.968
  585    HD3  LYS  73           1HD      LYS  73   0.627 -12.040 -12.516
  586    HE2  LYS  73           2HE      LYS  73  -0.089 -11.998 -14.649
  587    HE3  LYS  73           1HE      LYS  73   1.458 -11.352 -15.195
  588    HZ1  LYS  73           3HZ      LYS  73   0.476 -14.069 -15.230
  589    HZ2  LYS  73           1HZ      LYS  73   2.072 -13.912 -14.674
  590    HZ3  LYS  73           2HZ      LYS  73   1.646 -13.320 -16.209
  591    H    TYR  74           H        TYR  74   2.463  -8.683  -9.446
  592    HA   TYR  74           HA       TYR  74   0.567  -7.089 -10.815
  593    HB2  TYR  74           2HB      TYR  74   0.392  -7.720  -8.441
  594    HB3  TYR  74           1HB      TYR  74   1.779  -6.706  -8.063
  595    HD1  TYR  74           2HD      TYR  74  -1.766  -6.701  -9.138
  596    HD2  TYR  74           1HD      TYR  74   1.600  -4.320  -7.949
  597    HE1  TYR  74           2HE      TYR  74  -3.258  -4.743  -8.827
  598    HE2  TYR  74           1HE      TYR  74   0.109  -2.371  -7.635
  599    HH   TYR  74           HH       TYR  74  -1.942  -1.621  -7.666
  600    H    ILE  75           H        ILE  75   3.662  -6.085  -9.304
  601    HA   ILE  75           HA       ILE  75   3.954  -4.014 -11.388
  602    HB   ILE  75           HB       ILE  75   3.631  -3.402  -8.447
  603   HG12  ILE  75          2HG1      ILE  75   2.649  -2.039 -10.978
  604   HG13  ILE  75          1HG1      ILE  75   1.702  -3.168 -10.014
  605   HG21  ILE  75          1HG2      ILE  75   4.486  -1.027  -9.468
  606   HG22  ILE  75          2HG2      ILE  75   5.482  -2.134 -10.398
  607   HG23  ILE  75          3HG2      ILE  75   5.547  -2.158  -8.637
  608   HD11  ILE  75          3HD1      ILE  75   2.195  -1.579  -8.030
  609   HD12  ILE  75          1HD1      ILE  75   1.017  -1.046  -9.232
  610   HD13  ILE  75          2HD1      ILE  75   2.661  -0.410  -9.264
  611    HA   PRO  76           HA       PRO  76   7.892  -6.035 -10.087
  612    HB2  PRO  76           2HB      PRO  76   8.540  -7.119 -12.480
  613    HB3  PRO  76           1HB      PRO  76   7.415  -7.909 -11.360
  614    HG2  PRO  76           2HG      PRO  76   6.861  -6.410 -13.853
  615    HG3  PRO  76           1HG      PRO  76   6.003  -7.786 -13.144
  616    HD2  PRO  76           2HD      PRO  76   5.211  -5.086 -12.974
  617    HD3  PRO  76           1HD      PRO  76   4.579  -6.421 -11.989
  618    H    GLY  77           H        GLY  77  10.017  -5.235 -10.483
  619    HA2  GLY  77           2HA      GLY  77  11.662  -4.049 -11.805
  620    HA3  GLY  77           1HA      GLY  77  10.348  -3.319 -12.723
  621    H    THR  78           H        THR  78   9.655  -3.276  -9.406
  622    HA   THR  78           HA       THR  78  10.531  -0.422  -9.273
  623    HB   THR  78           HB       THR  78   8.086  -0.774  -9.110
  624    HG1  THR  78           1HG      THR  78   8.953  -0.095  -6.534
  625   HG21  THR  78          3HG2      THR  78   7.186  -1.878  -7.074
  626   HG22  THR  78          1HG2      THR  78   8.821  -2.385  -6.653
  627   HG23  THR  78          2HG2      THR  78   8.059  -3.001  -8.119
  628    H    LYS  79           H        LYS  79  11.009   0.296  -6.937
  629    HA   LYS  79           HA       LYS  79  13.035  -1.538  -5.878
  630    HB2  LYS  79           2HB      LYS  79  12.190   1.234  -4.992
  631    HB3  LYS  79           1HB      LYS  79  13.584   0.353  -4.369
  632    HG2  LYS  79           2HG      LYS  79  14.478   0.217  -6.704
  633    HG3  LYS  79           1HG      LYS  79  13.144   1.241  -7.233
  634    HD2  LYS  79           2HD      LYS  79  15.109   2.038  -5.069
  635    HD3  LYS  79           1HD      LYS  79  15.282   2.498  -6.763
  636    HE2  LYS  79           2HE      LYS  79  12.861   3.406  -6.551
  637    HE3  LYS  79           1HE      LYS  79  13.128   3.308  -4.811
  638    HZ1  LYS  79           3HZ      LYS  79  15.367   4.498  -6.023
  639    HZ2  LYS  79           1HZ      LYS  79  14.292   5.172  -4.897
  640    HZ3  LYS  79           2HZ      LYS  79  13.970   5.303  -6.561
  641    H    MET  80           H        MET  80   9.834  -1.640  -5.434
  642    HA   MET  80           HA       MET  80   9.594  -1.555  -2.555
  643    HB2  MET  80           2HB      MET  80   7.904  -2.965  -4.644
  644    HB3  MET  80           1HB      MET  80   7.477  -2.843  -2.938
  645    HG2  MET  80           2HG      MET  80   8.108  -0.225  -3.654
  646    HG3  MET  80           1HG      MET  80   7.231  -0.847  -5.051
  647    HE1  MET  80           3HE      MET  80   4.853  -2.270  -4.704
  648    HE2  MET  80           1HE      MET  80   4.983  -0.614  -5.312
  649    HE3  MET  80           2HE      MET  80   3.723  -1.034  -4.158
  650    H    ALA  81           H        ALA  81  10.548  -2.945  -1.187
  651    HA   ALA  81           HA       ALA  81  11.212  -5.689  -2.161
  652    HB1  ALA  81           1HB      ALA  81  12.236  -4.381   0.364
  653    HB2  ALA  81           2HB      ALA  81  13.015  -4.125  -1.197
  654    HB3  ALA  81           3HB      ALA  81  12.928  -5.747  -0.510
  655    H    PHE  82           H        PHE  82   8.563  -4.727  -1.205
  656    HA   PHE  82           HA       PHE  82   8.204  -5.971   1.429
  657    HB2  PHE  82           2HB      PHE  82   6.912  -3.962   0.773
  658    HB3  PHE  82           1HB      PHE  82   6.171  -4.879  -0.539
  659    HD1  PHE  82           2HD      PHE  82   6.349  -4.429   3.114
  660    HD2  PHE  82           1HD      PHE  82   4.526  -6.614  -0.099
  661    HE1  PHE  82           2HE      PHE  82   4.623  -5.288   4.678
  662    HE2  PHE  82           1HE      PHE  82   2.804  -7.472   1.460
  663    HZ   PHE  82           HZ       PHE  82   2.847  -6.810   3.847
  664    H    GLY  83           H        GLY  83   7.571  -8.059   1.755
  665    HA2  GLY  83           2HA      GLY  83   7.347  -9.861  -0.525
  666    HA3  GLY  83           1HA      GLY  83   7.176 -10.315   1.172
  667    H    GLY  84           H        GLY  84   5.446 -10.875  -1.272
  668    HA2  GLY  84           2HA      GLY  84   2.984  -9.399  -0.814
  669    HA3  GLY  84           1HA      GLY  84   3.157 -10.816  -1.849
  670    H    LEU  85           H        LEU  85   1.158 -10.076   0.332
  671    HA   LEU  85           HA       LEU  85   1.610 -12.355   2.202
  672    HB2  LEU  85           2HB      LEU  85  -0.567 -10.246   2.314
  673    HB3  LEU  85           1HB      LEU  85  -0.086 -11.355   3.599
  674    HG   LEU  85           HG       LEU  85   1.590  -9.120   2.426
  675   HD11  LEU  85          1HD1      LEU  85   0.044  -8.163   3.937
  676   HD12  LEU  85          2HD1      LEU  85   1.491  -8.418   4.913
  677   HD13  LEU  85          3HD1      LEU  85   0.134  -9.540   5.035
  678   HD21  LEU  85          3HD2      LEU  85   3.114  -9.822   4.398
  679   HD22  LEU  85          1HD2      LEU  85   3.139 -10.832   2.952
  680   HD23  LEU  85          2HD2      LEU  85   2.220 -11.344   4.369
  681    H    LYS  86           H        LYS  86   0.166 -14.106   2.228
  682    HA   LYS  86           HA       LYS  86  -1.513 -14.420  -0.164
  683    HB2  LYS  86           2HB      LYS  86  -1.120 -16.253   2.225
  684    HB3  LYS  86           1HB      LYS  86  -1.919 -16.688   0.715
  685    HG2  LYS  86           2HG      LYS  86   0.192 -16.194  -0.509
  686    HG3  LYS  86           1HG      LYS  86   0.981 -15.871   1.037
  687    HD2  LYS  86           2HD      LYS  86   0.300 -18.197   1.764
  688    HD3  LYS  86           1HD      LYS  86  -0.213 -18.491   0.102
  689    HE2  LYS  86           2HE      LYS  86   2.162 -17.679  -0.547
  690    HE3  LYS  86           1HE      LYS  86   2.559 -17.965   1.146
  691    HZ1  LYS  86           3HZ      LYS  86   1.191 -20.036  -0.445
  692    HZ2  LYS  86           1HZ      LYS  86   2.133 -20.217   0.954
  693    HZ3  LYS  86           2HZ      LYS  86   2.879 -19.863  -0.531
  694    H    LYS  87           H        LYS  87  -2.346 -15.322   3.161
  695    HA   LYS  87           HA       LYS  87  -4.707 -13.529   3.064
  696    HB2  LYS  87           2HB      LYS  87  -5.438 -15.741   2.176
  697    HB3  LYS  87           1HB      LYS  87  -4.890 -16.497   3.673
  698    HG2  LYS  87           2HG      LYS  87  -6.453 -15.045   4.950
  699    HG3  LYS  87           1HG      LYS  87  -7.035 -14.366   3.430
  700    HD2  LYS  87           2HD      LYS  87  -7.662 -16.684   2.701
  701    HD3  LYS  87           1HD      LYS  87  -7.225 -17.259   4.310
  702    HE2  LYS  87           2HE      LYS  87  -9.682 -16.783   4.040
  703    HE3  LYS  87           1HE      LYS  87  -8.919 -15.866   5.338
  704    HZ1  LYS  87           3HZ      LYS  87  -9.054 -14.722   2.633
  705    HZ2  LYS  87           1HZ      LYS  87  -8.979 -13.930   4.131
  706    HZ3  LYS  87           2HZ      LYS  87 -10.427 -14.667   3.633
  707    H    GLU  88           H        GLU  88  -4.677 -12.425   4.977
  708    HA   GLU  88           HA       GLU  88  -4.297 -13.854   7.495
  709    HB2  GLU  88           2HB      GLU  88  -1.950 -13.467   6.663
  710    HB3  GLU  88           1HB      GLU  88  -2.266 -11.734   6.748
  711    HG2  GLU  88           2HG      GLU  88  -2.830 -11.998   9.166
  712    HG3  GLU  88           1HG      GLU  88  -2.375 -13.696   9.055
  713    H    LYS  89           H        LYS  89  -5.026 -12.619   9.275
  714    HA   LYS  89           HA       LYS  89  -6.943 -10.596   8.767
  715    HB2  LYS  89           2HB      LYS  89  -5.366 -11.158  11.301
  716    HB3  LYS  89           1HB      LYS  89  -6.798 -10.130  11.216
  717    HG2  LYS  89           2HG      LYS  89  -8.089 -12.070  10.318
  718    HG3  LYS  89           1HG      LYS  89  -6.663 -13.084  10.548
  719    HD2  LYS  89           2HD      LYS  89  -6.676 -12.484  12.972
  720    HD3  LYS  89           1HD      LYS  89  -8.175 -11.594  12.711
  721    HE2  LYS  89           2HE      LYS  89  -9.420 -13.519  12.353
  722    HE3  LYS  89           1HE      LYS  89  -8.025 -14.438  11.787
  723    HZ1  LYS  89           3HZ      LYS  89  -9.032 -14.096  14.456
  724    HZ2  LYS  89           1HZ      LYS  89  -7.366 -13.809  14.337
  725    HZ3  LYS  89           2HZ      LYS  89  -8.008 -15.298  13.827
  726    H    ASP  90           H        ASP  90  -3.485 -10.407   9.456
  727    HA   ASP  90           HA       ASP  90  -3.269  -7.629   9.944
  728    HB2  ASP  90           2HB      ASP  90  -1.355  -9.530   8.554
  729    HB3  ASP  90           1HB      ASP  90  -0.937  -7.895   9.059
  730    H    ARG  91           H        ARG  91  -3.452  -9.452   6.898
  731    HA   ARG  91           HA       ARG  91  -2.880  -7.317   5.115
  732    HB2  ARG  91           2HB      ARG  91  -3.127  -9.668   4.377
  733    HB3  ARG  91           1HB      ARG  91  -4.852  -9.596   4.738
  734    HG2  ARG  91           2HG      ARG  91  -5.120  -7.767   3.096
  735    HG3  ARG  91           1HG      ARG  91  -3.398  -7.854   2.724
  736    HD2  ARG  91           2HD      ARG  91  -4.647  -9.115   1.050
  737    HD3  ARG  91           1HD      ARG  91  -3.707 -10.235   2.038
  738    HE   ARG  91           HE       ARG  91  -5.742 -11.173   2.754
  739   HH11  ARG  91          1HH2      ARG  91  -6.162  -7.952   1.595
  740   HH12  ARG  91          2HH2      ARG  91  -7.885  -7.975   1.764
  741   HH21  ARG  91          1HH1      ARG  91  -7.989 -11.220   2.981
  742   HH22  ARG  91          2HH1      ARG  91  -8.920  -9.825   2.549
  743    H    ASN  92           H        ASN  92  -5.987  -8.362   6.540
  744    HA   ASN  92           HA       ASN  92  -7.549  -6.312   5.272
  745    HB2  ASN  92           2HB      ASN  92  -7.943  -8.016   7.730
  746    HB3  ASN  92           1HB      ASN  92  -9.113  -6.781   7.276
  747   HD21  ASN  92          1HD2      ASN  92 -10.076  -6.990   5.032
  748   HD22  ASN  92          2HD2      ASN  92 -10.225  -8.539   4.353
  749    H    ASP  93           H        ASP  93  -5.927  -6.486   8.437
  750    HA   ASP  93           HA       ASP  93  -6.813  -3.913   9.346
  751    HB2  ASP  93           2HB      ASP  93  -4.390  -5.572  10.100
  752    HB3  ASP  93           1HB      ASP  93  -4.927  -4.135  10.967
  753    H    LEU  94           H        LEU  94  -3.922  -4.983   7.570
  754    HA   LEU  94           HA       LEU  94  -2.452  -2.576   7.657
  755    HB2  LEU  94           2HB      LEU  94  -1.564  -4.682   6.723
  756    HB3  LEU  94           1HB      LEU  94  -2.667  -4.535   5.355
  757    HG   LEU  94           HG       LEU  94  -1.613  -2.392   4.731
  758   HD11  LEU  94          1HD1      LEU  94  -0.726  -1.365   6.586
  759   HD12  LEU  94          2HD1      LEU  94   0.738  -2.163   6.012
  760   HD13  LEU  94          3HD1      LEU  94  -0.208  -2.887   7.313
  761   HD21  LEU  94          3HD2      LEU  94  -0.209  -3.635   3.484
  762   HD22  LEU  94          1HD2      LEU  94  -0.457  -4.987   4.590
  763   HD23  LEU  94          2HD2      LEU  94   0.859  -3.847   4.871
  764    H    ILE  95           H        ILE  95  -4.961  -3.581   5.318
  765    HA   ILE  95           HA       ILE  95  -4.841  -1.154   3.786
  766    HB   ILE  95           HB       ILE  95  -7.148  -3.075   4.160
  767   HG12  ILE  95          2HG1      ILE  95  -5.032  -2.948   1.991
  768   HG13  ILE  95          1HG1      ILE  95  -5.020  -4.101   3.326
  769   HG21  ILE  95          1HG2      ILE  95  -7.021  -1.809   1.587
  770   HG22  ILE  95          2HG2      ILE  95  -6.986  -0.564   2.836
  771   HG23  ILE  95          3HG2      ILE  95  -8.311  -1.725   2.788
  772   HD11  ILE  95          3HD1      ILE  95  -6.260  -4.489   0.876
  773   HD12  ILE  95          1HD1      ILE  95  -7.593  -4.016   1.931
  774   HD13  ILE  95          2HD1      ILE  95  -6.587  -5.404   2.348
  775    H    THR  96           H        THR  96  -6.781  -2.185   6.559
  776    HA   THR  96           HA       THR  96  -8.498   0.066   6.710
  777    HB   THR  96           HB       THR  96  -7.399  -1.554   9.025
  778    HG1  THR  96           1HG      THR  96  -8.410  -2.720   7.224
  779   HG21  THR  96          3HG2      THR  96 -10.018  -0.065   8.707
  780   HG22  THR  96          1HG2      THR  96  -8.621   0.556   9.588
  781   HG23  THR  96          2HG2      THR  96  -9.447  -0.896  10.153
  782    H    TYR  97           H        TYR  97  -5.231  -0.470   8.032
  783    HA   TYR  97           HA       TYR  97  -5.071   1.889   9.607
  784    HB2  TYR  97           2HB      TYR  97  -3.377   0.048   9.616
  785    HB3  TYR  97           1HB      TYR  97  -2.822   0.596   8.033
  786    HD1  TYR  97           1HD      TYR  97  -3.176   1.560  11.603
  787    HD2  TYR  97           2HD      TYR  97  -1.439   2.537   7.799
  788    HE1  TYR  97           1HE      TYR  97  -1.740   3.260  12.697
  789    HE2  TYR  97           2HE      TYR  97  -0.003   4.238   8.892
  790    HH   TYR  97           HH       TYR  97   0.683   4.345  11.994
  791    H    LEU  98           H        LEU  98  -4.092   1.378   6.196
  792    HA   LEU  98           HA       LEU  98  -3.477   4.170   5.764
  793    HB2  LEU  98           2HB      LEU  98  -4.138   1.942   3.809
  794    HB3  LEU  98           1HB      LEU  98  -3.553   3.537   3.339
  795    HG   LEU  98           HG       LEU  98  -2.079   1.612   5.162
  796   HD11  LEU  98          1HD1      LEU  98  -0.542   2.065   2.905
  797   HD12  LEU  98          2HD1      LEU  98  -2.174   1.954   2.247
  798   HD13  LEU  98          3HD1      LEU  98  -1.514   0.624   3.198
  799   HD21  LEU  98          3HD2      LEU  98  -1.708   4.443   4.344
  800   HD22  LEU  98          1HD2      LEU  98  -0.259   3.438   4.309
  801   HD23  LEU  98          2HD2      LEU  98  -1.171   3.617   5.806
  802    H    LYS  99           H        LYS  99  -6.342   2.180   5.509
  803    HA   LYS  99           HA       LYS  99  -8.009   3.853   3.970
  804    HB2  LYS  99           2HB      LYS  99  -8.547   1.531   4.836
  805    HB3  LYS  99           1HB      LYS  99  -8.863   2.268   6.406
  806    HG2  LYS  99           2HG      LYS  99 -10.554   3.750   5.314
  807    HG3  LYS  99           1HG      LYS  99 -10.307   2.855   3.816
  808    HD2  LYS  99           2HD      LYS  99 -10.975   0.767   4.948
  809    HD3  LYS  99           1HD      LYS  99 -11.238   1.665   6.443
  810    HE2  LYS  99           2HE      LYS  99 -13.196   2.582   5.705
  811    HE3  LYS  99           1HE      LYS  99 -12.616   2.737   4.047
  812    HZ1  LYS  99           3HZ      LYS  99 -14.294   0.786   5.067
  813    HZ2  LYS  99           1HZ      LYS  99 -12.819   0.010   4.751
  814    HZ3  LYS  99           2HZ      LYS  99 -13.615   0.854   3.510
  815    H    LYS 100           H        LYS 100  -7.437   3.867   7.500
  816    HA   LYS 100           HA       LYS 100  -9.205   6.032   8.098
  817    HB2  LYS 100           2HB      LYS 100  -6.687   5.089   9.492
  818    HB3  LYS 100           1HB      LYS 100  -7.816   6.262  10.170
  819    HG2  LYS 100           2HG      LYS 100  -9.635   4.580   9.994
  820    HG3  LYS 100           1HG      LYS 100  -8.461   3.404   9.398
  821    HD2  LYS 100           2HD      LYS 100  -7.168   3.616  11.475
  822    HD3  LYS 100           1HD      LYS 100  -8.309   4.819  12.071
  823    HE2  LYS 100           2HE      LYS 100 -10.093   3.205  12.151
  824    HE3  LYS 100           1HE      LYS 100  -9.130   2.014  11.278
  825    HZ1  LYS 100           3HZ      LYS 100  -7.565   2.644  13.394
  826    HZ2  LYS 100           1HZ      LYS 100  -8.570   1.281  13.292
  827    HZ3  LYS 100           2HZ      LYS 100  -9.122   2.686  14.071
  828    H    ALA 101           H        ALA 101  -5.713   5.981   7.442
  829    HA   ALA 101           HA       ALA 101  -5.281   8.784   7.735
  830    HB1  ALA 101           1HB      ALA 101  -3.332   8.270   6.070
  831    HB2  ALA 101           2HB      ALA 101  -3.848   6.593   6.248
  832    HB3  ALA 101           3HB      ALA 101  -3.314   7.507   7.660
  833    H    THR 102           H        THR 102  -6.366   6.850   4.979
  834    HA   THR 102           HA       THR 102  -6.427   9.267   3.269
  835    HB   THR 102           HB       THR 102  -7.029   7.720   1.468
  836    HG1  THR 102           1HG      THR 102  -7.149   5.859   3.598
  837   HG21  THR 102          3HG2      THR 102  -4.620   7.918   2.548
  838   HG22  THR 102          1HG2      THR 102  -4.940   6.732   1.283
  839   HG23  THR 102          2HG2      THR 102  -4.912   6.234   2.975
  840    H    GLU 103           H        GLU 103  -8.374   8.022   5.591
  841    HA   GLU 103           HA       GLU 103 -10.956   8.101   4.281
  842    HB2  GLU 103           2HB      GLU 103 -10.514   6.896   6.430
  843    HB3  GLU 103           1HB      GLU 103 -10.318   8.459   7.224
  844    HG2  GLU 103           2HG      GLU 103 -12.622   9.078   6.502
  845    HG3  GLU 103           1HG      GLU 103 -12.813   7.462   5.821
  846    HHA  HEC 201           HA       HEC 104   4.736   3.305  -5.734
  847    HHB  HEC 201           HB       HEC 104   1.106   0.360  -1.498
  848    HHC  HEC 201           HC       HEC 104   6.212  -0.857   2.031
  849    HHD  HEC 201           HD       HEC 104   9.847   2.096  -2.218
  850   HMA1  HEC 201          1HMA      HEC 104  -0.026   2.254  -2.560
  851   HMA2  HEC 201          2HMA      HEC 104  -0.248   0.983  -3.759
  852   HMA3  HEC 201          3HMA      HEC 104  -0.136   2.667  -4.270
  853   HAA1  HEC 201          1HAA      HEC 104   2.670   1.997  -6.711
  854   HAA2  HEC 201          2HAA      HEC 104   1.044   2.386  -6.178
  855   HBA1  HEC 201          1HBA      HEC 104   2.892   4.133  -7.355
  856   HBA2  HEC 201          2HBA      HEC 104   2.849   4.593  -5.653
  857   HMB1  HEC 201          1HMB      HEC 104   0.931  -1.644  -0.469
  858   HMB2  HEC 201          2HMB      HEC 104   1.420  -2.421   1.026
  859   HMB3  HEC 201          3HMB      HEC 104   0.488  -0.927   1.078
  860    HAB  HEC 201           HAB      HEC 104   4.467  -1.677   3.115
  861   HBB1  HEC 201          1HBB      HEC 104   2.384  -1.930   4.434
  862   HBB2  HEC 201          2HBB      HEC 104   2.365  -2.891   2.962
  863   HBB3  HEC 201          3HBB      HEC 104   1.456  -1.381   3.050
  864   HMC1  HEC 201          1HMC      HEC 104   8.775  -1.983   1.488
  865   HMC2  HEC 201          2HMC      HEC 104   8.464  -0.863   2.815
  866   HMC3  HEC 201          3HMC      HEC 104  10.035  -0.863   2.010
  867    HAC  HEC 201           HAC      HEC 104  10.866   2.066  -0.272
  868   HBC1  HEC 201          1HBC      HEC 104  12.283   0.018   1.018
  869   HBC2  HEC 201          2HBC      HEC 104  11.199  -0.811  -0.098
  870   HBC3  HEC 201          3HBC      HEC 104  12.326   0.404  -0.702
  871   HMD1  HEC 201          1HMD      HEC 104  10.495   3.376  -3.991
  872   HMD2  HEC 201          2HMD      HEC 104   9.900   3.788  -5.600
  873   HMD3  HEC 201          3HMD      HEC 104  10.099   2.097  -5.141
  874   HAD1  HEC 201          1HAD      HEC 104   7.973   5.206  -5.852
  875   HAD2  HEC 201          2HAD      HEC 104   6.301   4.795  -6.176
  876   HBD1  HEC 201          1HBD      HEC 104   8.579   4.310  -7.811
  877   HBD2  HEC 201          2HBD      HEC 104   7.930   2.748  -7.309
  Start of MODEL    7
    1    H1   THR  -5           1HT      THR  -5 -14.344  -8.005  -2.145
    2    H2   THR  -5           2HT      THR  -5 -15.002  -7.821  -3.700
    3    H3   THR  -5           3HT      THR  -5 -16.025  -7.917  -2.347
    4    HA   THR  -5           HA       THR  -5 -14.046  -5.745  -2.746
    5    HB   THR  -5           HB       THR  -5 -15.506  -5.247  -4.470
    6    HG1  THR  -5           1HG      THR  -5 -15.948  -3.990  -2.241
    7   HG21  THR  -5          1HG2      THR  -5 -16.849  -7.262  -4.306
    8   HG22  THR  -5          2HG2      THR  -5 -17.931  -5.873  -4.410
    9   HG23  THR  -5          3HG2      THR  -5 -17.647  -6.654  -2.856
   10    H    GLU  -4           H        GLU  -4 -16.494  -7.373  -0.879
   11    HA   GLU  -4           HA       GLU  -4 -17.219  -5.316   0.934
   12    HB2  GLU  -4           2HB      GLU  -4 -16.868  -8.285   1.460
   13    HB3  GLU  -4           1HB      GLU  -4 -17.721  -7.161   2.520
   14    HG2  GLU  -4           2HG      GLU  -4 -19.276  -6.620   0.656
   15    HG3  GLU  -4           1HG      GLU  -4 -18.456  -7.815  -0.348
   16    H    PHE  -3           H        PHE  -3 -16.280  -4.592   2.872
   17    HA   PHE  -3           HA       PHE  -3 -13.379  -5.195   3.137
   18    HB2  PHE  -3           2HB      PHE  -3 -14.069  -2.816   2.987
   19    HB3  PHE  -3           1HB      PHE  -3 -15.053  -3.023   4.436
   20    HD1  PHE  -3           1HD      PHE  -3 -14.026  -3.328   6.634
   21    HD2  PHE  -3           2HD      PHE  -3 -11.623  -2.821   3.108
   22    HE1  PHE  -3           1HE      PHE  -3 -12.032  -2.911   8.052
   23    HE2  PHE  -3           2HE      PHE  -3  -9.634  -2.402   4.526
   24    HZ   PHE  -3           HZ       PHE  -3  -9.839  -2.448   6.997
   25    H    LYS  -2           H        LYS  -2 -12.650  -6.421   4.812
   26    HA   LYS  -2           HA       LYS  -2 -14.602  -7.412   6.784
   27    HB2  LYS  -2           2HB      LYS  -2 -12.852  -8.880   5.665
   28    HB3  LYS  -2           1HB      LYS  -2 -11.640  -8.032   6.627
   29    HG2  LYS  -2           2HG      LYS  -2 -12.983  -8.655   8.684
   30    HG3  LYS  -2           1HG      LYS  -2 -13.955  -9.698   7.646
   31    HD2  LYS  -2           2HD      LYS  -2 -10.940  -9.884   7.916
   32    HD3  LYS  -2           1HD      LYS  -2 -12.082 -10.915   8.779
   33    HE2  LYS  -2           2HE      LYS  -2 -12.969 -11.133   6.182
   34    HE3  LYS  -2           1HE      LYS  -2 -11.222 -11.017   5.968
   35    HZ1  LYS  -2           3HZ      LYS  -2 -10.854 -12.930   7.133
   36    HZ2  LYS  -2           1HZ      LYS  -2 -12.351 -13.303   6.430
   37    HZ3  LYS  -2           2HZ      LYS  -2 -12.279 -12.793   8.049
   38    H    ALA  -1           H        ALA  -1 -14.782  -6.588   8.827
   39    HA   ALA  -1           HA       ALA  -1 -13.476  -4.200   9.616
   40    HB1  ALA  -1           1HB      ALA  -1 -14.359  -4.641  11.850
   41    HB2  ALA  -1           2HB      ALA  -1 -14.645  -6.330  11.429
   42    HB3  ALA  -1           3HB      ALA  -1 -15.575  -5.054  10.644
   43    H    GLY   1           H        GLY   1 -11.225  -4.421   9.326
   44    HA2  GLY   1           2HA      GLY   1  -9.859  -6.442  11.041
   45    HA3  GLY   1           1HA      GLY   1  -9.117  -5.611   9.672
   46    H    SER   2           H        SER   2  -8.907  -5.736  12.899
   47    HA   SER   2           HA       SER   2  -9.082  -3.027  13.769
   48    HB2  SER   2           2HB      SER   2  -7.201  -5.203  14.734
   49    HB3  SER   2           1HB      SER   2  -7.582  -3.718  15.600
   50    HG   SER   2           HG       SER   2  -9.812  -5.043  14.792
   51    H    ALA   3           H        ALA   3  -7.656  -1.321  13.596
   52    HA   ALA   3           HA       ALA   3  -5.553  -1.523  11.585
   53    HB1  ALA   3           1HB      ALA   3  -7.087   0.560  12.794
   54    HB2  ALA   3           2HB      ALA   3  -5.994   0.674  11.414
   55    HB3  ALA   3           3HB      ALA   3  -5.380   0.930  13.048
   56    H    LYS   4           H        LYS   4  -5.718  -1.829  15.024
   57    HA   LYS   4           HA       LYS   4  -3.132  -0.949  15.777
   58    HB2  LYS   4           2HB      LYS   4  -4.942  -1.651  17.358
   59    HB3  LYS   4           1HB      LYS   4  -4.626  -3.328  16.913
   60    HG2  LYS   4           2HG      LYS   4  -2.268  -3.057  17.650
   61    HG3  LYS   4           1HG      LYS   4  -2.636  -1.409  18.159
   62    HD2  LYS   4           2HD      LYS   4  -4.413  -2.340  19.670
   63    HD3  LYS   4           1HD      LYS   4  -3.855  -3.960  19.250
   64    HE2  LYS   4           2HE      LYS   4  -2.479  -3.699  21.045
   65    HE3  LYS   4           1HE      LYS   4  -1.497  -2.757  19.922
   66    HZ1  LYS   4           3HZ      LYS   4  -3.593  -1.671  21.724
   67    HZ2  LYS   4           1HZ      LYS   4  -2.668  -0.763  20.631
   68    HZ3  LYS   4           2HZ      LYS   4  -1.916  -1.528  21.951
   69    H    LYS   5           H        LYS   5  -4.167  -4.220  14.727
   70    HA   LYS   5           HA       LYS   5  -1.527  -5.342  14.860
   71    HB2  LYS   5           2HB      LYS   5  -3.645  -6.680  14.748
   72    HB3  LYS   5           1HB      LYS   5  -3.824  -6.187  13.066
   73    HG2  LYS   5           2HG      LYS   5  -2.762  -8.280  12.896
   74    HG3  LYS   5           1HG      LYS   5  -1.420  -7.144  12.763
   75    HD2  LYS   5           2HD      LYS   5  -0.820  -7.470  15.079
   76    HD3  LYS   5           1HD      LYS   5  -2.282  -8.409  15.378
   77    HE2  LYS   5           2HE      LYS   5  -0.275  -9.269  13.297
   78    HE3  LYS   5           1HE      LYS   5  -0.077  -9.709  14.994
   79    HZ1  LYS   5           3HZ      LYS   5  -1.314 -11.455  14.258
   80    HZ2  LYS   5           1HZ      LYS   5  -2.129 -10.545  13.081
   81    HZ3  LYS   5           2HZ      LYS   5  -2.571 -10.407  14.716
   82    H    GLY   6           H        GLY   6  -3.420  -4.101  12.097
   83    HA2  GLY   6           2HA      GLY   6  -1.330  -4.407  10.169
   84    HA3  GLY   6           1HA      GLY   6  -2.721  -3.341  10.000
   85    H    ALA   7           H        ALA   7  -2.098  -1.833  12.454
   86    HA   ALA   7           HA       ALA   7  -0.550   0.254  11.347
   87    HB1  ALA   7           1HB      ALA   7  -0.311   1.034  13.742
   88    HB2  ALA   7           2HB      ALA   7  -1.101  -0.462  14.237
   89    HB3  ALA   7           3HB      ALA   7  -1.971   0.706  13.242
   90    H    THR   8           H        THR   8   0.450  -2.383  13.529
   91    HA   THR   8           HA       THR   8   3.206  -1.500  13.633
   92    HB   THR   8           HB       THR   8   3.628  -3.643  14.708
   93    HG1  THR   8           1HG      THR   8   2.030  -4.636  13.100
   94   HG21  THR   8          3HG2      THR   8   0.891  -2.633  15.514
   95   HG22  THR   8          1HG2      THR   8   2.411  -1.878  15.987
   96   HG23  THR   8          2HG2      THR   8   2.030  -3.510  16.536
   97    H    LEU   9           H        LEU   9   1.379  -3.793  11.627
   98    HA   LEU   9           HA       LEU   9   3.589  -4.966  10.265
   99    HB2  LEU   9           2HB      LEU   9   1.183  -5.713  10.076
  100    HB3  LEU   9           1HB      LEU   9   0.879  -4.298   9.070
  101    HG   LEU   9           HG       LEU   9   2.946  -5.201   7.699
  102   HD11  LEU   9          1HD1      LEU   9   2.961  -7.703   7.714
  103   HD12  LEU   9          2HD1      LEU   9   1.908  -7.667   9.128
  104   HD13  LEU   9          3HD1      LEU   9   3.539  -7.004   9.225
  105   HD21  LEU   9          3HD2      LEU   9   0.641  -4.990   6.842
  106   HD22  LEU   9          1HD2      LEU   9   0.211  -6.518   7.612
  107   HD23  LEU   9          2HD2      LEU   9   1.379  -6.493   6.289
  108    H    PHE  10           H        PHE  10   1.746  -2.008   9.706
  109    HA   PHE  10           HA       PHE  10   3.043  -1.189   7.288
  110    HB2  PHE  10           2HB      PHE  10   0.932  -0.203   8.245
  111    HB3  PHE  10           1HB      PHE  10   1.906   0.561   9.496
  112    HD1  PHE  10           1HD      PHE  10   1.202   0.456   5.858
  113    HD2  PHE  10           2HD      PHE  10   3.264   2.481   9.034
  114    HE1  PHE  10           1HE      PHE  10   1.696   2.348   4.333
  115    HE2  PHE  10           2HE      PHE  10   3.755   4.369   7.508
  116    HZ   PHE  10           HZ       PHE  10   2.977   4.303   5.161
  117    H    LYS  11           H        LYS  11   3.663  -0.455  10.707
  118    HA   LYS  11           HA       LYS  11   5.949   1.208  10.310
  119    HB2  LYS  11           2HB      LYS  11   4.588   0.917  12.448
  120    HB3  LYS  11           1HB      LYS  11   5.450  -0.601  12.683
  121    HG2  LYS  11           2HG      LYS  11   7.607   0.617  12.605
  122    HG3  LYS  11           1HG      LYS  11   6.728   2.137  12.431
  123    HD2  LYS  11           2HD      LYS  11   5.562   1.643  14.597
  124    HD3  LYS  11           1HD      LYS  11   6.604   0.233  14.786
  125    HE2  LYS  11           2HE      LYS  11   8.563   1.903  14.444
  126    HE3  LYS  11           1HE      LYS  11   7.368   3.149  14.802
  127    HZ1  LYS  11           3HZ      LYS  11   7.608   2.703  16.940
  128    HZ2  LYS  11           1HZ      LYS  11   8.734   1.483  16.595
  129    HZ3  LYS  11           2HZ      LYS  11   7.078   1.109  16.686
  130    H    THR  12           H        THR  12   5.605  -2.290  10.737
  131    HA   THR  12           HA       THR  12   8.420  -2.835  10.932
  132    HB   THR  12           HB       THR  12   7.792  -5.166  10.614
  133    HG1  THR  12           1HG      THR  12   6.249  -4.589   8.901
  134   HG21  THR  12          3HG2      THR  12   7.100  -5.007  12.747
  135   HG22  THR  12          1HG2      THR  12   5.466  -4.746  12.139
  136   HG23  THR  12          2HG2      THR  12   6.510  -3.367  12.483
  137    H    ARG  13           H        ARG  13   6.230  -2.610   8.134
  138    HA   ARG  13           HA       ARG  13   8.634  -2.630   6.414
  139    HB2  ARG  13           2HB      ARG  13   6.345  -4.587   6.094
  140    HB3  ARG  13           1HB      ARG  13   7.589  -4.310   4.875
  141    HG2  ARG  13           2HG      ARG  13   9.320  -4.917   6.591
  142    HG3  ARG  13           1HG      ARG  13   8.011  -5.346   7.693
  143    HD2  ARG  13           2HD      ARG  13   7.158  -6.942   5.940
  144    HD3  ARG  13           1HD      ARG  13   8.621  -6.613   5.011
  145    HE   ARG  13           HE       ARG  13   9.273  -7.399   7.713
  146   HH11  ARG  13          1HH2      ARG  13   8.210  -8.511   4.627
  147   HH12  ARG  13          2HH2      ARG  13   8.876 -10.098   4.821
  148   HH21  ARG  13          1HH1      ARG  13  10.148  -9.465   7.984
  149   HH22  ARG  13          2HH1      ARG  13   9.972 -10.639   6.722
  150    H    CYS  14           H        CYS  14   7.359  -0.324   6.705
  151    HA   CYS  14           HA       CYS  14   6.333   0.226   4.082
  152    HB2  CYS  14           2HB      CYS  14   4.390  -0.941   5.458
  153    HB3  CYS  14           1HB      CYS  14   4.205   0.681   6.123
  154    H    LEU  15           H        LEU  15   5.956   1.417   7.436
  155    HA   LEU  15           HA       LEU  15   5.905   4.170   6.798
  156    HB2  LEU  15           2HB      LEU  15   5.426   3.230   9.059
  157    HB3  LEU  15           1HB      LEU  15   7.144   2.891   9.255
  158    HG   LEU  15           HG       LEU  15   7.484   5.421   8.751
  159   HD11  LEU  15          1HD1      LEU  15   5.499   6.771   9.558
  160   HD12  LEU  15          2HD1      LEU  15   4.533   5.302   9.429
  161   HD13  LEU  15          3HD1      LEU  15   5.273   6.003   7.988
  162   HD21  LEU  15          3HD2      LEU  15   7.887   4.419  10.940
  163   HD22  LEU  15          1HD2      LEU  15   6.162   4.454  11.300
  164   HD23  LEU  15          2HD2      LEU  15   7.060   5.964  11.143
  165    H    GLN  16           H        GLN  16   8.671   2.000   7.270
  166    HA   GLN  16           HA       GLN  16  10.717   3.965   7.275
  167    HB2  GLN  16           2HB      GLN  16  10.757   1.139   6.174
  168    HB3  GLN  16           1HB      GLN  16  12.192   2.127   6.453
  169    HG2  GLN  16           2HG      GLN  16  11.537   2.327   8.854
  170    HG3  GLN  16           1HG      GLN  16  10.191   1.229   8.546
  171   HE21  GLN  16          1HE2      GLN  16  12.576   0.187   6.496
  172   HE22  GLN  16          2HE2      GLN  16  13.324  -0.968   7.489
  173    H    CYS  17           H        CYS  17   8.964   2.469   4.583
  174    HA   CYS  17           HA       CYS  17  10.631   3.980   2.649
  175    HB2  CYS  17           2HB      CYS  17   8.455   1.910   2.298
  176    HB3  CYS  17           1HB      CYS  17   9.239   2.740   0.954
  177    H    HIS  18           H        HIS  18   7.215   3.695   3.642
  178    HA   HIS  18           HA       HIS  18   6.631   6.153   2.057
  179    HB2  HIS  18           2HB      HIS  18   4.859   3.967   3.180
  180    HB3  HIS  18           1HB      HIS  18   4.219   5.466   2.497
  181    HD1  HIS  18           1HD      HIS  18   4.968   5.932  -0.090
  182    HD2  HIS  18           2HD      HIS  18   5.466   2.046   1.315
  183    HE1  HIS  18           1HE      HIS  18   5.179   4.450  -2.143
  184    H    THR  19           H        THR  19   6.431   8.029   3.163
  185    HA   THR  19           HA       THR  19   6.272   7.969   6.105
  186    HB   THR  19           HB       THR  19   6.659  10.370   5.972
  187    HG1  THR  19           1HG      THR  19   5.979   9.912   3.287
  188   HG21  THR  19          3HG2      THR  19   8.742  10.351   4.491
  189   HG22  THR  19          1HG2      THR  19   8.308   8.692   4.076
  190   HG23  THR  19          2HG2      THR  19   8.674   9.116   5.750
  191    H    VAL  20           H        VAL  20   4.197   8.476   3.368
  192    HA   VAL  20           HA       VAL  20   1.967   9.253   3.221
  193    HB   VAL  20           HB       VAL  20   1.737   7.698   5.809
  194   HG11  VAL  20          1HG1      VAL  20  -0.168   9.070   4.395
  195   HG12  VAL  20          2HG1      VAL  20  -0.502   7.661   5.403
  196   HG13  VAL  20          3HG1      VAL  20  -0.279   7.467   3.665
  197   HG21  VAL  20          3HG2      VAL  20   1.876   6.721   2.940
  198   HG22  VAL  20          1HG2      VAL  20   1.400   5.720   4.313
  199   HG23  VAL  20          2HG2      VAL  20   3.035   6.376   4.223
  200    H    GLU  21           H        GLU  21   2.972  11.469   3.893
  201    HA   GLU  21           HA       GLU  21   1.830  12.325   6.522
  202    HB2  GLU  21           2HB      GLU  21   3.983  13.619   4.820
  203    HB3  GLU  21           1HB      GLU  21   3.396  14.236   6.365
  204    HG2  GLU  21           2HG      GLU  21   4.680  11.519   5.956
  205    HG3  GLU  21           1HG      GLU  21   5.496  12.933   6.625
  206    H    LYS  22           H        LYS  22   0.407  14.091   6.548
  207    HA   LYS  22           HA       LYS  22  -1.144  14.564   4.187
  208    HB2  LYS  22           2HB      LYS  22  -2.325  16.218   5.500
  209    HB3  LYS  22           1HB      LYS  22  -1.952  14.855   6.553
  210    HG2  LYS  22           2HG      LYS  22   0.091  16.086   7.330
  211    HG3  LYS  22           1HG      LYS  22  -0.437  17.475   6.383
  212    HD2  LYS  22           2HD      LYS  22  -2.641  17.348   7.665
  213    HD3  LYS  22           1HD      LYS  22  -1.835  16.211   8.748
  214    HE2  LYS  22           2HE      LYS  22  -0.717  18.953   8.117
  215    HE3  LYS  22           1HE      LYS  22  -1.774  18.642   9.494
  216    HZ1  LYS  22           3HZ      LYS  22   0.649  18.520   9.987
  217    HZ2  LYS  22           1HZ      LYS  22   0.739  17.152   8.990
  218    HZ3  LYS  22           2HZ      LYS  22  -0.220  17.118  10.393
  219    H    GLY  23           H        GLY  23   1.556  16.308   5.661
  220    HA2  GLY  23           2HA      GLY  23   1.797  17.873   3.147
  221    HA3  GLY  23           1HA      GLY  23   1.731  18.758   4.672
  222    H    GLY  24           H        GLY  24   3.395  15.731   3.745
  223    HA2  GLY  24           2HA      GLY  24   5.931  16.976   4.739
  224    HA3  GLY  24           1HA      GLY  24   5.565  15.259   4.896
  225    HA   PRO  25           HA       PRO  25   7.794  16.236   0.814
  226    HB2  PRO  25           2HB      PRO  25  10.295  15.383   1.459
  227    HB3  PRO  25           1HB      PRO  25   9.753  17.048   1.744
  228    HG2  PRO  25           2HG      PRO  25   9.970  14.775   3.657
  229    HG3  PRO  25           1HG      PRO  25  10.383  16.481   3.880
  230    HD2  PRO  25           2HD      PRO  25   8.053  15.376   4.811
  231    HD3  PRO  25           1HD      PRO  25   8.202  17.089   4.359
  232    H    HIS  26           H        HIS  26   9.479  14.422  -0.223
  233    HA   HIS  26           HA       HIS  26   8.045  11.837   0.169
  234    HB2  HIS  26           2HB      HIS  26   9.635  12.923  -2.171
  235    HB3  HIS  26           1HB      HIS  26   9.011  11.276  -2.094
  236    HD1  HIS  26           1HD      HIS  26   6.464  10.940  -2.347
  237    HD2  HIS  26           2HD      HIS  26   7.627  14.943  -2.502
  238    HE1  HIS  26           1HE      HIS  26   4.453  12.238  -3.178
  239    HE2  HIS  26           2HE      HIS  26   5.148  14.677  -3.268
  240    H    LYS  27           H        LYS  27   9.173  10.064   0.859
  241    HA   LYS  27           HA       LYS  27  12.155  10.252   0.939
  242    HB2  LYS  27           2HB      LYS  27  11.171  10.720   3.191
  243    HB3  LYS  27           1HB      LYS  27  10.402   9.132   3.146
  244    HG2  LYS  27           2HG      LYS  27  12.638   8.080   2.893
  245    HG3  LYS  27           1HG      LYS  27  13.384   9.674   3.022
  246    HD2  LYS  27           2HD      LYS  27  12.290   9.944   5.262
  247    HD3  LYS  27           1HD      LYS  27  11.717   8.280   5.136
  248    HE2  LYS  27           2HE      LYS  27  13.928   7.403   5.170
  249    HE3  LYS  27           1HE      LYS  27  14.642   8.985   4.856
  250    HZ1  LYS  27           3HZ      LYS  27  13.541   7.900   7.343
  251    HZ2  LYS  27           1HZ      LYS  27  13.399   9.568   7.069
  252    HZ3  LYS  27           2HZ      LYS  27  14.933   8.840   7.095
  253    H    VAL  28           H        VAL  28  13.112   8.457   0.079
  254    HA   VAL  28           HA       VAL  28  13.283   6.346  -0.934
  255    HB   VAL  28           HB       VAL  28  11.384   5.696   1.339
  256   HG11  VAL  28          1HG1      VAL  28  12.840   3.974  -0.662
  257   HG12  VAL  28          2HG1      VAL  28  11.151   3.890  -0.163
  258   HG13  VAL  28          3HG1      VAL  28  12.423   3.353   0.934
  259   HG21  VAL  28          3HG2      VAL  28  14.117   6.420   1.291
  260   HG22  VAL  28          1HG2      VAL  28  14.081   4.676   1.550
  261   HG23  VAL  28          2HG2      VAL  28  13.216   5.749   2.651
  262    H    GLY  29           H        GLY  29   9.951   5.840   0.137
  263    HA2  GLY  29           2HA      GLY  29   9.169   5.629  -2.729
  264    HA3  GLY  29           1HA      GLY  29   8.296   4.895  -1.383
  265    HA   PRO  30           HA       PRO  30   6.647   9.227  -2.734
  266    HB2  PRO  30           2HB      PRO  30   4.254   8.245  -3.749
  267    HB3  PRO  30           1HB      PRO  30   5.673   8.671  -4.722
  268    HG2  PRO  30           2HG      PRO  30   4.754   6.005  -3.788
  269    HG3  PRO  30           1HG      PRO  30   5.489   6.477  -5.330
  270    HD2  PRO  30           2HD      PRO  30   6.917   5.212  -3.408
  271    HD3  PRO  30           1HD      PRO  30   7.655   6.434  -4.469
  272    H    ASN  31           H        ASN  31   4.912  10.304  -1.603
  273    HA   ASN  31           HA       ASN  31   4.088   8.921   0.856
  274    HB2  ASN  31           2HB      ASN  31   3.337  11.703  -0.086
  275    HB3  ASN  31           1HB      ASN  31   3.268  11.081   1.563
  276   HD21  ASN  31          1HD2      ASN  31   5.771   9.788   1.773
  277   HD22  ASN  31          2HD2      ASN  31   7.009  10.938   1.613
  278    H    LEU  32           H        LEU  32   2.055   8.072   1.210
  279    HA   LEU  32           HA       LEU  32   0.115   8.281  -1.036
  280    HB2  LEU  32           2HB      LEU  32   0.324   6.365   1.301
  281    HB3  LEU  32           1HB      LEU  32  -1.030   6.376   0.172
  282    HG   LEU  32           HG       LEU  32   0.603   6.063  -1.704
  283   HD11  LEU  32          1HD1      LEU  32   2.863   5.074  -0.771
  284   HD12  LEU  32          2HD1      LEU  32   2.489   6.077   0.630
  285   HD13  LEU  32          3HD1      LEU  32   2.676   6.818  -0.959
  286   HD21  LEU  32          3HD2      LEU  32   1.218   3.664  -0.994
  287   HD22  LEU  32          1HD2      LEU  32  -0.494   4.087  -0.966
  288   HD23  LEU  32          2HD2      LEU  32   0.426   4.042   0.536
  289    H    HIS  33           H        HIS  33  -1.807   9.324  -0.789
  290    HA   HIS  33           HA       HIS  33  -3.006   9.787   1.828
  291    HB2  HIS  33           2HB      HIS  33  -1.303  11.582   1.799
  292    HB3  HIS  33           1HB      HIS  33  -1.929  12.149   0.250
  293    HD1  HIS  33           1HD      HIS  33  -4.100  13.509   0.262
  294    HD2  HIS  33           2HD      HIS  33  -3.076  12.051   4.034
  295    HE1  HIS  33           1HE      HIS  33  -5.644  14.649   1.916
  296    HE2  HIS  33           2HE      HIS  33  -5.030  13.769   4.214
  297    H    GLY  34           H        GLY  34  -4.969   9.032   1.096
  298    HA2  GLY  34           2HA      GLY  34  -7.089   9.317   0.069
  299    HA3  GLY  34           1HA      GLY  34  -6.446  10.716  -0.796
  300    H    ILE  35           H        ILE  35  -4.355   8.097  -1.004
  301    HA   ILE  35           HA       ILE  35  -4.533   7.836  -3.815
  302    HB   ILE  35           HB       ILE  35  -2.648   7.068  -2.253
  303   HG12  ILE  35          2HG1      ILE  35  -3.503   4.946  -4.229
  304   HG13  ILE  35          1HG1      ILE  35  -2.936   6.529  -4.762
  305   HG21  ILE  35          1HG2      ILE  35  -4.289   4.529  -2.154
  306   HG22  ILE  35          2HG2      ILE  35  -4.279   5.705  -0.840
  307   HG23  ILE  35          3HG2      ILE  35  -2.789   4.881  -1.297
  308   HD11  ILE  35          3HD1      ILE  35  -0.837   6.186  -3.483
  309   HD12  ILE  35          1HD1      ILE  35  -1.067   4.943  -4.713
  310   HD13  ILE  35          2HD1      ILE  35  -1.401   4.581  -3.019
  311    H    PHE  36           H        PHE  36  -6.493   6.465  -1.310
  312    HA   PHE  36           HA       PHE  36  -7.454   4.155  -2.697
  313    HB2  PHE  36           2HB      PHE  36  -8.713   5.912  -0.574
  314    HB3  PHE  36           1HB      PHE  36  -9.429   4.407  -1.143
  315    HD1  PHE  36           1HD      PHE  36  -6.570   5.902   0.669
  316    HD2  PHE  36           2HD      PHE  36  -8.470   2.255  -0.582
  317    HE1  PHE  36           1HE      PHE  36  -5.129   4.613   2.223
  318    HE2  PHE  36           2HE      PHE  36  -7.024   0.971   0.970
  319    HZ   PHE  36           HZ       PHE  36  -5.354   2.149   2.369
  320    H    GLY  37           H        GLY  37  -8.942   3.986  -4.333
  321    HA2  GLY  37           2HA      GLY  37 -10.614   4.610  -5.865
  322    HA3  GLY  37           1HA      GLY  37 -10.988   5.978  -4.815
  323    H    ARG  38           H        ARG  38  -7.721   5.495  -5.963
  324    HA   ARG  38           HA       ARG  38  -8.123   7.650  -7.983
  325    HB2  ARG  38           2HB      ARG  38  -5.924   7.544  -5.898
  326    HB3  ARG  38           1HB      ARG  38  -6.019   8.717  -7.214
  327    HG2  ARG  38           2HG      ARG  38  -8.277   9.407  -6.341
  328    HG3  ARG  38           1HG      ARG  38  -8.000   8.358  -4.949
  329    HD2  ARG  38           2HD      ARG  38  -5.831   9.645  -4.573
  330    HD3  ARG  38           1HD      ARG  38  -6.420  10.800  -5.766
  331    HE   ARG  38           HE       ARG  38  -7.430  10.487  -3.040
  332   HH11  ARG  38          1HH2      ARG  38  -8.026  11.507  -6.281
  333   HH12  ARG  38          2HH2      ARG  38  -9.258  12.640  -5.838
  334   HH21  ARG  38          1HH1      ARG  38  -9.038  11.962  -2.446
  335   HH22  ARG  38          2HH1      ARG  38  -9.831  12.898  -3.667
  336    H    HIS  39           H        HIS  39  -6.220   7.795  -9.501
  337    HA   HIS  39           HA       HIS  39  -5.244   5.052 -10.090
  338    HB2  HIS  39           2HB      HIS  39  -5.373   7.556 -11.796
  339    HB3  HIS  39           1HB      HIS  39  -4.704   6.017 -12.340
  340    HD1  HIS  39           1HD      HIS  39  -7.951   7.681 -11.423
  341    HD2  HIS  39           2HD      HIS  39  -6.634   3.992 -12.860
  342    HE1  HIS  39           1HE      HIS  39 -10.019   6.419 -12.166
  343    HE2  HIS  39           2HE      HIS  39  -9.229   4.175 -13.045
  344    H    SER  40           H        SER  40  -3.015   4.653 -10.412
  345    HA   SER  40           HA       SER  40  -1.198   6.105  -8.771
  346    HB2  SER  40           2HB      SER  40  -0.427   4.377 -11.131
  347    HB3  SER  40           1HB      SER  40   0.516   4.691  -9.677
  348    HG   SER  40           HG       SER  40  -2.056   3.528  -9.568
  349    H    GLY  41           H        GLY  41   0.578   7.470  -9.373
  350    HA2  GLY  41           2HA      GLY  41   1.822   8.846 -10.894
  351    HA3  GLY  41           1HA      GLY  41   0.593   8.555 -12.122
  352    H    GLN  42           H        GLN  42  -1.256   9.203  -9.560
  353    HA   GLN  42           HA       GLN  42  -1.959  11.831 -10.444
  354    HB2  GLN  42           2HB      GLN  42  -3.472  10.272  -9.180
  355    HB3  GLN  42           1HB      GLN  42  -2.535  10.627  -7.727
  356    HG2  GLN  42           2HG      GLN  42  -3.009  13.079  -8.130
  357    HG3  GLN  42           1HG      GLN  42  -4.128  12.585  -9.399
  358   HE21  GLN  42          1HE2      GLN  42  -6.243  12.203  -8.720
  359   HE22  GLN  42          2HE2      GLN  42  -6.706  11.890  -7.119
  360    H    ALA  43           H        ALA  43   0.096  10.718  -7.758
  361    HA   ALA  43           HA       ALA  43   0.463  13.243  -6.511
  362    HB1  ALA  43           1HB      ALA  43   1.213  10.999  -5.613
  363    HB2  ALA  43           2HB      ALA  43   2.412  12.283  -5.466
  364    HB3  ALA  43           3HB      ALA  43   2.565  11.076  -6.743
  365    H    GLU  44           H        GLU  44   2.318  11.683  -9.109
  366    HA   GLU  44           HA       GLU  44   3.793  12.574 -10.689
  367    HB2  GLU  44           2HB      GLU  44   2.327  15.150 -10.039
  368    HB3  GLU  44           1HB      GLU  44   3.334  14.863 -11.457
  369    HG2  GLU  44           2HG      GLU  44   1.827  12.999 -12.119
  370    HG3  GLU  44           1HG      GLU  44   0.790  13.378 -10.744
  371    H    GLY  45           H        GLY  45   3.680  14.028  -7.516
  372    HA2  GLY  45           2HA      GLY  45   5.932  15.751  -7.700
  373    HA3  GLY  45           1HA      GLY  45   5.368  14.989  -6.213
  374    H    TYR  46           H        TYR  46   5.683  12.263  -7.183
  375    HA   TYR  46           HA       TYR  46   8.671  12.121  -7.141
  376    HB2  TYR  46           2HB      TYR  46   7.431  11.171  -5.161
  377    HB3  TYR  46           1HB      TYR  46   6.695  10.003  -6.255
  378    HD1  TYR  46           1HD      TYR  46   9.949  11.223  -4.927
  379    HD2  TYR  46           2HD      TYR  46   7.886   8.074  -6.996
  380    HE1  TYR  46           1HE      TYR  46  11.962   9.787  -4.745
  381    HE2  TYR  46           2HE      TYR  46   9.903   6.638  -6.817
  382    HH   TYR  46           HH       TYR  46  12.931   7.815  -6.015
  383    H    SER  47           H        SER  47   9.683  11.008  -8.777
  384    HA   SER  47           HA       SER  47   8.269  10.413 -11.187
  385    HB2  SER  47           2HB      SER  47  10.978   9.372 -10.307
  386    HB3  SER  47           1HB      SER  47  10.371   9.426 -11.960
  387    HG   SER  47           HG       SER  47  10.668  11.686 -10.264
  388    H    TYR  48           H        TYR  48   7.852   8.338 -12.159
  389    HA   TYR  48           HA       TYR  48   7.528   6.136 -10.157
  390    HB2  TYR  48           2HB      TYR  48   5.845   6.873 -12.565
  391    HB3  TYR  48           1HB      TYR  48   5.669   5.353 -11.688
  392    HD1  TYR  48           2HD      TYR  48   5.290   9.025 -11.483
  393    HD2  TYR  48           1HD      TYR  48   4.738   5.280  -9.453
  394    HE1  TYR  48           2HE      TYR  48   3.873  10.151  -9.785
  395    HE2  TYR  48           1HE      TYR  48   3.324   6.406  -7.757
  396    HH   TYR  48           HH       TYR  48   2.189   8.302  -7.281
  397    H    THR  49           H        THR  49   8.053   4.013 -10.850
  398    HA   THR  49           HA       THR  49  10.159   3.890 -12.856
  399    HB   THR  49           HB       THR  49  10.388   1.585 -12.205
  400    HG1  THR  49           1HG      THR  49   8.205   1.565 -10.532
  401   HG21  THR  49          3HG2      THR  49  11.265   2.269 -10.254
  402   HG22  THR  49          1HG2      THR  49   9.658   2.259  -9.529
  403   HG23  THR  49          2HG2      THR  49  10.263   3.718 -10.313
  404    H    ASP  50           H        ASP  50  10.072   2.250 -14.644
  405    HA   ASP  50           HA       ASP  50   7.948   2.737 -16.430
  406    HB2  ASP  50           2HB      ASP  50   9.890   0.427 -16.300
  407    HB3  ASP  50           1HB      ASP  50   8.815   0.724 -17.663
  408    H    ALA  51           H        ALA  51   8.322   0.181 -14.018
  409    HA   ALA  51           HA       ALA  51   6.328  -1.604 -14.852
  410    HB1  ALA  51           1HB      ALA  51   6.466  -2.521 -12.749
  411    HB2  ALA  51           2HB      ALA  51   6.439  -0.956 -11.943
  412    HB3  ALA  51           3HB      ALA  51   7.922  -1.528 -12.706
  413    H    ASN  52           H        ASN  52   5.630   0.644 -12.159
  414    HA   ASN  52           HA       ASN  52   2.830   0.513 -12.456
  415    HB2  ASN  52           2HB      ASN  52   4.024   1.490 -10.486
  416    HB3  ASN  52           1HB      ASN  52   4.387   2.914 -11.463
  417   HD21  ASN  52          1HD2      ASN  52   1.620   1.002 -10.169
  418   HD22  ASN  52          2HD2      ASN  52   0.523   2.300 -10.194
  419    H    ILE  53           H        ILE  53   5.108   2.812 -13.982
  420    HA   ILE  53           HA       ILE  53   3.141   4.466 -15.188
  421    HB   ILE  53           HB       ILE  53   5.906   3.710 -16.169
  422   HG12  ILE  53          2HG1      ILE  53   4.944   6.170 -14.680
  423   HG13  ILE  53          1HG1      ILE  53   5.740   4.801 -13.905
  424   HG21  ILE  53          1HG2      ILE  53   5.224   6.269 -17.049
  425   HG22  ILE  53          2HG2      ILE  53   3.776   5.303 -17.333
  426   HG23  ILE  53          3HG2      ILE  53   5.315   4.813 -18.038
  427   HD11  ILE  53          3HD1      ILE  53   7.776   5.192 -15.041
  428   HD12  ILE  53          1HD1      ILE  53   7.222   6.806 -14.595
  429   HD13  ILE  53          2HD1      ILE  53   7.005   6.224 -16.246
  430    H    LYS  54           H        LYS  54   4.904   1.683 -16.603
  431    HA   LYS  54           HA       LYS  54   3.370   1.599 -19.013
  432    HB2  LYS  54           2HB      LYS  54   5.547   0.405 -18.655
  433    HB3  LYS  54           1HB      LYS  54   4.702  -0.733 -17.603
  434    HG2  LYS  54           2HG      LYS  54   3.182  -1.311 -19.481
  435    HG3  LYS  54           1HG      LYS  54   4.089  -0.222 -20.529
  436    HD2  LYS  54           2HD      LYS  54   6.154  -1.558 -20.030
  437    HD3  LYS  54           1HD      LYS  54   5.146  -2.703 -19.147
  438    HE2  LYS  54           2HE      LYS  54   3.753  -2.557 -21.464
  439    HE3  LYS  54           1HE      LYS  54   5.380  -2.254 -22.072
  440    HZ1  LYS  54           3HZ      LYS  54   6.045  -4.327 -21.589
  441    HZ2  LYS  54           1HZ      LYS  54   4.388  -4.689 -21.648
  442    HZ3  LYS  54           2HZ      LYS  54   5.143  -4.412 -20.152
  443    H    LYS  55           H        LYS  55   2.947   0.020 -15.865
  444    HA   LYS  55           HA       LYS  55   0.266  -0.940 -16.788
  445    HB2  LYS  55           2HB      LYS  55   1.898  -2.684 -15.989
  446    HB3  LYS  55           1HB      LYS  55   1.890  -1.897 -14.411
  447    HG2  LYS  55           2HG      LYS  55  -0.557  -2.248 -14.253
  448    HG3  LYS  55           1HG      LYS  55  -0.531  -3.065 -15.816
  449    HD2  LYS  55           2HD      LYS  55   1.106  -4.712 -14.856
  450    HD3  LYS  55           1HD      LYS  55   0.875  -3.949 -13.282
  451    HE2  LYS  55           2HE      LYS  55  -1.228  -5.338 -14.962
  452    HE3  LYS  55           1HE      LYS  55  -0.606  -5.856 -13.395
  453    HZ1  LYS  55           3HZ      LYS  55  -2.700  -4.765 -13.091
  454    HZ2  LYS  55           1HZ      LYS  55  -2.179  -3.402 -13.957
  455    HZ3  LYS  55           2HZ      LYS  55  -1.479  -3.771 -12.454
  456    H    ASN  56           H        ASN  56  -1.278   0.498 -16.135
  457    HA   ASN  56           HA       ASN  56  -0.871   1.919 -13.551
  458    HB2  ASN  56           2HB      ASN  56  -1.440   3.209 -15.673
  459    HB3  ASN  56           1HB      ASN  56  -3.034   2.455 -15.598
  460   HD21  ASN  56          1HD2      ASN  56  -1.075   3.484 -12.788
  461   HD22  ASN  56          2HD2      ASN  56  -2.172   4.659 -12.244
  462    H    VAL  57           H        VAL  57  -2.211   1.546 -11.830
  463    HA   VAL  57           HA       VAL  57  -4.534  -0.283 -12.261
  464    HB   VAL  57           HB       VAL  57  -2.595  -1.518 -11.318
  465   HG11  VAL  57          1HG1      VAL  57  -1.387  -0.747  -9.544
  466   HG12  VAL  57          2HG1      VAL  57  -2.817  -0.127  -8.718
  467   HG13  VAL  57          3HG1      VAL  57  -2.061   0.815 -10.002
  468   HG21  VAL  57          3HG2      VAL  57  -5.206  -1.594 -10.509
  469   HG22  VAL  57          1HG2      VAL  57  -4.387  -1.323  -8.971
  470   HG23  VAL  57          2HG2      VAL  57  -3.975  -2.728  -9.956
  471    H    LEU  58           H        LEU  58  -6.318   0.098 -10.888
  472    HA   LEU  58           HA       LEU  58  -6.477   2.803  -9.780
  473    HB2  LEU  58           2HB      LEU  58  -8.382   1.565 -10.944
  474    HB3  LEU  58           1HB      LEU  58  -8.505   0.567  -9.498
  475    HG   LEU  58           HG       LEU  58  -8.639   3.595  -9.435
  476   HD11  LEU  58          1HD1      LEU  58 -10.987   1.703  -9.274
  477   HD12  LEU  58          2HD1      LEU  58 -10.482   2.447 -10.793
  478   HD13  LEU  58          3HD1      LEU  58 -11.015   3.459  -9.449
  479   HD21  LEU  58          3HD2      LEU  58  -8.860   1.397  -7.440
  480   HD22  LEU  58          1HD2      LEU  58 -10.042   2.694  -7.294
  481   HD23  LEU  58          2HD2      LEU  58  -8.323   3.062  -7.227
  482    H    TRP  59           H        TRP  59  -6.052   3.304  -7.662
  483    HA   TRP  59           HA       TRP  59  -5.418   1.065  -5.843
  484    HB2  TRP  59           2HB      TRP  59  -5.003   4.052  -5.684
  485    HB3  TRP  59           1HB      TRP  59  -4.681   2.980  -4.319
  486    HD1  TRP  59           HD       TRP  59  -3.085   4.351  -7.327
  487    HE1  TRP  59           1HE      TRP  59  -0.911   3.072  -7.879
  488    HE3  TRP  59           3HE      TRP  59  -3.635   0.317  -4.258
  489    HZ2  TRP  59           2HZ      TRP  59   0.413   0.651  -7.120
  490    HZ3  TRP  59           3HZ      TRP  59  -1.907  -1.450  -4.188
  491    HH2  TRP  59           HH       TRP  59   0.113  -1.290  -5.615
  492    H    ASP  60           H        ASP  60  -7.156   0.225  -4.859
  493    HA   ASP  60           HA       ASP  60  -8.962   2.073  -3.384
  494    HB2  ASP  60           2HB      ASP  60 -10.900   0.654  -4.001
  495    HB3  ASP  60           1HB      ASP  60 -10.159   1.384  -5.425
  496    H    GLU  61           H        GLU  61 -10.347   0.562  -1.801
  497    HA   GLU  61           HA       GLU  61  -8.483  -0.683  -0.041
  498    HB2  GLU  61           2HB      GLU  61 -11.494  -0.997  -0.214
  499    HB3  GLU  61           1HB      GLU  61 -10.502  -1.520   1.149
  500    HG2  GLU  61           2HG      GLU  61  -9.710   0.811   1.450
  501    HG3  GLU  61           1HG      GLU  61 -10.756   1.322   0.125
  502    H    ASN  62           H        ASN  62 -10.721  -2.114  -2.425
  503    HA   ASN  62           HA       ASN  62 -10.164  -4.842  -1.746
  504    HB2  ASN  62           2HB      ASN  62 -12.091  -4.144  -3.138
  505    HB3  ASN  62           1HB      ASN  62 -10.980  -3.682  -4.427
  506   HD21  ASN  62          1HD2      ASN  62 -10.064  -5.356  -5.727
  507   HD22  ASN  62          2HD2      ASN  62 -10.475  -6.994  -5.548
  508    H    ASN  63           H        ASN  63  -8.842  -2.802  -4.359
  509    HA   ASN  63           HA       ASN  63  -6.989  -4.721  -5.337
  510    HB2  ASN  63           2HB      ASN  63  -7.696  -2.561  -6.460
  511    HB3  ASN  63           1HB      ASN  63  -6.581  -1.725  -5.376
  512   HD21  ASN  63          1HD2      ASN  63  -4.526  -1.456  -6.248
  513   HD22  ASN  63          2HD2      ASN  63  -3.816  -2.472  -7.408
  514    H    MET  64           H        MET  64  -6.694  -2.344  -2.724
  515    HA   MET  64           HA       MET  64  -3.895  -2.492  -2.337
  516    HB2  MET  64           2HB      MET  64  -6.125  -2.154  -0.310
  517    HB3  MET  64           1HB      MET  64  -4.414  -1.924   0.059
  518    HG2  MET  64           2HG      MET  64  -5.253  -0.490  -2.352
  519    HG3  MET  64           1HG      MET  64  -6.122   0.031  -0.909
  520    HE1  MET  64           3HE      MET  64  -5.272   2.007  -1.795
  521    HE2  MET  64           1HE      MET  64  -3.586   2.351  -2.206
  522    HE3  MET  64           2HE      MET  64  -4.230   2.822  -0.633
  523    H    SER  65           H        SER  65  -6.477  -4.618  -1.110
  524    HA   SER  65           HA       SER  65  -4.770  -6.269   0.497
  525    HB2  SER  65           2HB      SER  65  -7.312  -7.060  -0.956
  526    HB3  SER  65           1HB      SER  65  -6.583  -7.913   0.399
  527    HG   SER  65           HG       SER  65  -8.362  -6.287   0.776
  528    H    GLU  66           H        GLU  66  -5.775  -6.485  -2.913
  529    HA   GLU  66           HA       GLU  66  -4.409  -8.958  -3.451
  530    HB2  GLU  66           2HB      GLU  66  -6.183  -7.968  -4.917
  531    HB3  GLU  66           1HB      GLU  66  -5.035  -6.714  -5.395
  532    HG2  GLU  66           2HG      GLU  66  -3.483  -8.492  -6.199
  533    HG3  GLU  66           1HG      GLU  66  -4.708  -9.700  -5.812
  534    H    HIS  67           H        HIS  67  -3.433  -5.559  -3.591
  535    HA   HIS  67           HA       HIS  67  -0.953  -5.873  -4.926
  536    HB2  HIS  67           2HB      HIS  67  -2.032  -3.692  -4.345
  537    HB3  HIS  67           1HB      HIS  67  -1.581  -3.955  -2.663
  538    HD1  HIS  67           1HD      HIS  67   0.253  -4.077  -6.010
  539    HD2  HIS  67           2HD      HIS  67   0.807  -2.691  -2.128
  540    HE1  HIS  67           1HE      HIS  67   2.543  -2.987  -5.967
  541    HE2  HIS  67           2HE      HIS  67   2.888  -2.137  -3.601
  542    H    LEU  68           H        LEU  68  -1.762  -6.143  -1.480
  543    HA   LEU  68           HA       LEU  68   0.897  -6.643  -0.567
  544    HB2  LEU  68           2HB      LEU  68  -1.743  -7.578   0.597
  545    HB3  LEU  68           1HB      LEU  68  -0.202  -7.547   1.446
  546    HG   LEU  68           HG       LEU  68  -1.613  -5.130   0.290
  547   HD11  LEU  68          1HD1      LEU  68  -1.890  -4.498   2.677
  548   HD12  LEU  68          2HD1      LEU  68  -1.206  -6.053   3.150
  549   HD13  LEU  68          3HD1      LEU  68  -2.741  -5.992   2.285
  550   HD21  LEU  68          3HD2      LEU  68   1.081  -5.616   1.464
  551   HD22  LEU  68          1HD2      LEU  68   0.253  -4.141   1.953
  552   HD23  LEU  68          2HD2      LEU  68   0.582  -4.440   0.248
  553    H    THR  69           H        THR  69  -1.525  -8.712  -2.051
  554    HA   THR  69           HA       THR  69  -0.087 -11.166  -1.329
  555    HB   THR  69           HB       THR  69  -2.214 -10.871  -3.461
  556    HG1  THR  69           1HG      THR  69  -2.603 -10.046  -1.156
  557   HG21  THR  69          3HG2      THR  69  -1.516 -13.160  -1.601
  558   HG22  THR  69          1HG2      THR  69  -0.939 -13.020  -3.262
  559   HG23  THR  69          2HG2      THR  69  -2.664 -13.199  -2.941
  560    H    ASN  70           H        ASN  70   1.632 -11.941  -2.435
  561    HA   ASN  70           HA       ASN  70   3.370 -11.910  -4.046
  562    HB2  ASN  70           2HB      ASN  70   1.065 -12.215  -5.972
  563    HB3  ASN  70           1HB      ASN  70   2.663 -12.959  -6.050
  564   HD21  ASN  70          1HD2      ASN  70   0.441 -14.656  -6.174
  565   HD22  ASN  70          2HD2      ASN  70   0.300 -15.528  -4.726
  566    HA   PRO  71           HA       PRO  71   2.278  -7.494  -5.406
  567    HB2  PRO  71           2HB      PRO  71   4.543  -6.385  -4.253
  568    HB3  PRO  71           1HB      PRO  71   2.940  -6.431  -3.499
  569    HG2  PRO  71           2HG      PRO  71   5.299  -8.168  -3.038
  570    HG3  PRO  71           1HG      PRO  71   4.074  -7.590  -1.897
  571    HD2  PRO  71           2HD      PRO  71   4.082 -10.132  -2.866
  572    HD3  PRO  71           1HD      PRO  71   2.587  -9.280  -2.420
  573    H    ALA  72           H        ALA  72   5.096  -9.556  -5.602
  574    HA   ALA  72           HA       ALA  72   6.701  -7.968  -7.344
  575    HB1  ALA  72           1HB      ALA  72   7.142 -10.600  -8.132
  576    HB2  ALA  72           2HB      ALA  72   6.607 -10.749  -6.459
  577    HB3  ALA  72           3HB      ALA  72   8.003  -9.746  -6.850
  578    H    LYS  73           H        LYS  73   4.465 -10.640  -8.216
  579    HA   LYS  73           HA       LYS  73   4.617 -10.177 -11.031
  580    HB2  LYS  73           2HB      LYS  73   2.383 -11.385  -9.372
  581    HB3  LYS  73           1HB      LYS  73   2.488 -11.475 -11.130
  582    HG2  LYS  73           2HG      LYS  73   4.709 -12.593 -10.903
  583    HG3  LYS  73           1HG      LYS  73   4.495 -12.594  -9.152
  584    HD2  LYS  73           2HD      LYS  73   2.375 -13.884  -9.457
  585    HD3  LYS  73           1HD      LYS  73   2.720 -13.975 -11.184
  586    HE2  LYS  73           2HE      LYS  73   4.080 -15.732 -10.841
  587    HE3  LYS  73           1HE      LYS  73   5.065 -14.773  -9.738
  588    HZ1  LYS  73           3HZ      LYS  73   2.723 -15.410  -8.393
  589    HZ2  LYS  73           1HZ      LYS  73   4.285 -15.996  -8.087
  590    HZ3  LYS  73           2HZ      LYS  73   3.252 -16.844  -9.137
  591    H    TYR  74           H        TYR  74   2.534  -8.830  -8.520
  592    HA   TYR  74           HA       TYR  74   0.643  -7.512 -10.180
  593    HB2  TYR  74           2HB      TYR  74   0.372  -7.750  -7.756
  594    HB3  TYR  74           1HB      TYR  74   1.761  -6.704  -7.482
  595    HD1  TYR  74           2HD      TYR  74  -1.717  -6.816  -8.786
  596    HD2  TYR  74           1HD      TYR  74   1.590  -4.325  -7.641
  597    HE1  TYR  74           2HE      TYR  74  -3.193  -4.821  -8.843
  598    HE2  TYR  74           1HE      TYR  74   0.114  -2.341  -7.694
  599    HH   TYR  74           HH       TYR  74  -2.002  -1.649  -7.788
  600    H    ILE  75           H        ILE  75   3.664  -6.206  -8.750
  601    HA   ILE  75           HA       ILE  75   3.839  -4.363 -11.071
  602    HB   ILE  75           HB       ILE  75   3.692  -3.587  -8.160
  603   HG12  ILE  75          2HG1      ILE  75   1.762  -3.496  -9.913
  604   HG13  ILE  75          1HG1      ILE  75   2.028  -2.099  -8.876
  605   HG21  ILE  75          1HG2      ILE  75   4.445  -1.257  -9.227
  606   HG22  ILE  75          2HG2      ILE  75   5.343  -2.330 -10.300
  607   HG23  ILE  75          3HG2      ILE  75   5.614  -2.387  -8.555
  608   HD11  ILE  75          3HD1      ILE  75   3.514  -2.172 -11.464
  609   HD12  ILE  75          1HD1      ILE  75   2.837  -0.799 -10.592
  610   HD13  ILE  75          2HD1      ILE  75   1.781  -1.854 -11.530
  611    HA   PRO  76           HA       PRO  76   7.903  -6.237  -9.984
  612    HB2  PRO  76           2HB      PRO  76   8.400  -7.412 -12.365
  613    HB3  PRO  76           1HB      PRO  76   7.349  -8.159 -11.147
  614    HG2  PRO  76           2HG      PRO  76   6.638  -6.763 -13.659
  615    HG3  PRO  76           1HG      PRO  76   5.829  -8.109 -12.843
  616    HD2  PRO  76           2HD      PRO  76   5.053  -5.395 -12.729
  617    HD3  PRO  76           1HD      PRO  76   4.466  -6.699 -11.673
  618    H    GLY  77           H        GLY  77  10.017  -5.527 -10.626
  619    HA2  GLY  77           2HA      GLY  77  11.553  -4.388 -12.104
  620    HA3  GLY  77           1HA      GLY  77  10.176  -3.639 -12.906
  621    H    THR  78           H        THR  78   9.477  -3.391  -9.707
  622    HA   THR  78           HA       THR  78  10.567  -0.623  -9.624
  623    HB   THR  78           HB       THR  78   8.821  -0.105  -8.100
  624    HG1  THR  78           1HG      THR  78   8.737  -1.670  -6.649
  625   HG21  THR  78          3HG2      THR  78   6.877  -0.653  -9.336
  626   HG22  THR  78          1HG2      THR  78   7.555  -2.196  -9.859
  627   HG23  THR  78          2HG2      THR  78   8.187  -0.689 -10.516
  628    H    LYS  79           H        LYS  79  11.245   0.148  -7.408
  629    HA   LYS  79           HA       LYS  79  13.185  -1.744  -6.293
  630    HB2  LYS  79           2HB      LYS  79  12.474   1.088  -5.462
  631    HB3  LYS  79           1HB      LYS  79  13.876   0.174  -4.906
  632    HG2  LYS  79           2HG      LYS  79  14.644  -0.011  -7.276
  633    HG3  LYS  79           1HG      LYS  79  13.297   1.018  -7.761
  634    HD2  LYS  79           2HD      LYS  79  15.440   1.811  -5.766
  635    HD3  LYS  79           1HD      LYS  79  15.416   2.300  -7.460
  636    HE2  LYS  79           2HE      LYS  79  14.244   4.097  -6.702
  637    HE3  LYS  79           1HE      LYS  79  12.882   2.979  -6.669
  638    HZ1  LYS  79           3HZ      LYS  79  12.883   2.928  -4.451
  639    HZ2  LYS  79           1HZ      LYS  79  13.821   4.339  -4.539
  640    HZ3  LYS  79           2HZ      LYS  79  14.576   2.828  -4.346
  641    H    MET  80           H        MET  80   9.961  -1.412  -5.846
  642    HA   MET  80           HA       MET  80   9.897  -1.520  -2.916
  643    HB2  MET  80           2HB      MET  80   8.052  -0.465  -4.166
  644    HB3  MET  80           1HB      MET  80   7.709  -2.004  -4.959
  645    HG2  MET  80           2HG      MET  80   7.024  -3.022  -2.923
  646    HG3  MET  80           1HG      MET  80   7.722  -1.726  -1.951
  647    HE1  MET  80           3HE      MET  80   3.654  -2.043  -2.015
  648    HE2  MET  80           1HE      MET  80   5.085  -3.023  -1.670
  649    HE3  MET  80           2HE      MET  80   4.354  -3.060  -3.272
  650    H    ALA  81           H        ALA  81  10.042  -3.352  -1.733
  651    HA   ALA  81           HA       ALA  81   9.497  -5.962  -3.081
  652    HB1  ALA  81           1HB      ALA  81  11.394  -6.834  -1.545
  653    HB2  ALA  81           2HB      ALA  81  11.888  -5.145  -1.439
  654    HB3  ALA  81           3HB      ALA  81  11.853  -5.958  -3.004
  655    H    PHE  82           H        PHE  82   7.440  -5.923  -2.015
  656    HA   PHE  82           HA       PHE  82   7.516  -6.057   0.961
  657    HB2  PHE  82           2HB      PHE  82   5.920  -4.469  -0.118
  658    HB3  PHE  82           1HB      PHE  82   5.131  -5.836  -0.899
  659    HD1  PHE  82           1HD      PHE  82   5.870  -4.233   2.359
  660    HD2  PHE  82           2HD      PHE  82   3.675  -7.310   0.323
  661    HE1  PHE  82           1HE      PHE  82   4.489  -4.592   4.388
  662    HE2  PHE  82           2HE      PHE  82   2.296  -7.670   2.349
  663    HZ   PHE  82           HZ       PHE  82   2.699  -6.310   4.380
  664    H    GLY  83           H        GLY  83   7.186  -7.995   1.964
  665    HA2  GLY  83           2HA      GLY  83   7.071 -10.422   0.392
  666    HA3  GLY  83           1HA      GLY  83   6.983 -10.333   2.152
  667    H    GLY  84           H        GLY  84   5.325 -11.860   0.138
  668    HA2  GLY  84           2HA      GLY  84   2.685 -10.651   0.190
  669    HA3  GLY  84           1HA      GLY  84   3.048 -12.308  -0.291
  670    H    LEU  85           H        LEU  85   0.965 -11.145   1.613
  671    HA   LEU  85           HA       LEU  85   1.817 -12.398   4.168
  672    HB2  LEU  85           2HB      LEU  85  -0.756 -10.930   3.512
  673    HB3  LEU  85           1HB      LEU  85  -0.185 -11.386   5.118
  674    HG   LEU  85           HG       LEU  85   1.151  -9.436   3.223
  675   HD11  LEU  85          1HD1      LEU  85   0.117  -7.795   4.386
  676   HD12  LEU  85          2HD1      LEU  85   0.479  -8.566   5.932
  677   HD13  LEU  85          3HD1      LEU  85  -0.944  -9.059   5.013
  678   HD21  LEU  85          3HD2      LEU  85   2.027 -10.744   5.781
  679   HD22  LEU  85          1HD2      LEU  85   2.549  -9.097   5.431
  680   HD23  LEU  85          2HD2      LEU  85   2.966 -10.407   4.326
  681    H    LYS  86           H        LYS  86   1.241 -14.458   4.609
  682    HA   LYS  86           HA       LYS  86  -0.318 -16.040   2.797
  683    HB2  LYS  86           2HB      LYS  86   0.490 -16.550   5.675
  684    HB3  LYS  86           1HB      LYS  86  -0.227 -17.759   4.611
  685    HG2  LYS  86           2HG      LYS  86   1.649 -17.488   3.031
  686    HG3  LYS  86           1HG      LYS  86   2.367 -16.278   4.092
  687    HD2  LYS  86           2HD      LYS  86   3.442 -18.422   4.508
  688    HD3  LYS  86           1HD      LYS  86   2.463 -17.991   5.911
  689    HE2  LYS  86           2HE      LYS  86   1.026 -19.725   5.596
  690    HE3  LYS  86           1HE      LYS  86   1.016 -19.522   3.844
  691    HZ1  LYS  86           3HZ      LYS  86   3.123 -20.625   3.696
  692    HZ2  LYS  86           1HZ      LYS  86   2.057 -21.612   4.571
  693    HZ3  LYS  86           2HZ      LYS  86   3.250 -20.720   5.387
  694    H    LYS  87           H        LYS  87  -1.140 -14.348   5.807
  695    HA   LYS  87           HA       LYS  87  -3.889 -15.428   5.677
  696    HB2  LYS  87           2HB      LYS  87  -2.535 -13.603   7.680
  697    HB3  LYS  87           1HB      LYS  87  -4.202 -14.167   7.810
  698    HG2  LYS  87           2HG      LYS  87  -3.348 -16.525   7.732
  699    HG3  LYS  87           1HG      LYS  87  -1.706 -15.884   7.787
  700    HD2  LYS  87           2HD      LYS  87  -2.284 -14.712   9.918
  701    HD3  LYS  87           1HD      LYS  87  -3.863 -15.498   9.880
  702    HE2  LYS  87           2HE      LYS  87  -1.776 -17.457   9.478
  703    HE3  LYS  87           1HE      LYS  87  -1.470 -16.542  10.956
  704    HZ1  LYS  87           3HZ      LYS  87  -4.206 -17.440  10.455
  705    HZ2  LYS  87           1HZ      LYS  87  -3.370 -17.279  11.922
  706    HZ3  LYS  87           2HZ      LYS  87  -3.068 -18.615  10.916
  707    H    GLU  88           H        GLU  88  -5.553 -14.316   4.829
  708    HA   GLU  88           HA       GLU  88  -5.110 -11.749   3.541
  709    HB2  GLU  88           2HB      GLU  88  -6.655 -13.505   2.644
  710    HB3  GLU  88           1HB      GLU  88  -7.724 -13.212   4.018
  711    HG2  GLU  88           2HG      GLU  88  -7.888 -10.819   3.334
  712    HG3  GLU  88           1HG      GLU  88  -6.913 -11.186   1.912
  713    H    LYS  89           H        LYS  89  -6.654 -12.857   6.519
  714    HA   LYS  89           HA       LYS  89  -8.077 -10.508   7.196
  715    HB2  LYS  89           2HB      LYS  89  -6.639 -12.472   9.005
  716    HB3  LYS  89           1HB      LYS  89  -7.798 -11.263   9.561
  717    HG2  LYS  89           2HG      LYS  89  -9.506 -12.261   8.038
  718    HG3  LYS  89           1HG      LYS  89  -8.348 -13.525   7.619
  719    HD2  LYS  89           2HD      LYS  89  -8.201 -14.134  10.039
  720    HD3  LYS  89           1HD      LYS  89  -9.463 -12.947  10.378
  721    HE2  LYS  89           2HE      LYS  89 -11.032 -14.467   9.847
  722    HE3  LYS  89           1HE      LYS  89 -10.368 -14.572   8.216
  723    HZ1  LYS  89           3HZ      LYS  89 -10.010 -16.692   8.860
  724    HZ2  LYS  89           1HZ      LYS  89  -9.945 -16.313  10.511
  725    HZ3  LYS  89           2HZ      LYS  89  -8.594 -16.027   9.521
  726    H    ASP  90           H        ASP  90  -4.650 -11.322   7.689
  727    HA   ASP  90           HA       ASP  90  -3.961  -9.059   9.265
  728    HB2  ASP  90           2HB      ASP  90  -2.334 -10.628   7.242
  729    HB3  ASP  90           1HB      ASP  90  -1.655  -9.436   8.345
  730    H    ARG  91           H        ARG  91  -4.237  -9.507   5.763
  731    HA   ARG  91           HA       ARG  91  -3.142  -6.996   4.960
  732    HB2  ARG  91           2HB      ARG  91  -5.320  -8.672   3.675
  733    HB3  ARG  91           1HB      ARG  91  -4.474  -7.345   2.883
  734    HG2  ARG  91           2HG      ARG  91  -2.329  -8.522   3.188
  735    HG3  ARG  91           1HG      ARG  91  -3.172  -9.853   3.985
  736    HD2  ARG  91           2HD      ARG  91  -4.556 -10.115   1.893
  737    HD3  ARG  91           1HD      ARG  91  -3.492  -8.946   1.112
  738    HE   ARG  91           HE       ARG  91  -1.668 -10.727   1.981
  739   HH11  ARG  91          1HH2      ARG  91  -4.770 -11.158   0.524
  740   HH12  ARG  91          2HH2      ARG  91  -4.363 -12.677  -0.197
  741   HH21  ARG  91          1HH1      ARG  91  -1.127 -12.706   1.043
  742   HH22  ARG  91          2HH1      ARG  91  -2.305 -13.552   0.094
  743    H    ASN  92           H        ASN  92  -6.436  -7.923   5.923
  744    HA   ASN  92           HA       ASN  92  -7.733  -5.496   5.243
  745    HB2  ASN  92           2HB      ASN  92  -8.307  -7.429   7.507
  746    HB3  ASN  92           1HB      ASN  92  -9.411  -6.174   6.947
  747   HD21  ASN  92          1HD2      ASN  92  -9.207  -6.342   4.180
  748   HD22  ASN  92          2HD2      ASN  92  -9.685  -7.883   3.650
  749    H    ASP  93           H        ASP  93  -5.991  -6.419   8.218
  750    HA   ASP  93           HA       ASP  93  -6.651  -4.066   9.688
  751    HB2  ASP  93           2HB      ASP  93  -4.247  -5.903   9.847
  752    HB3  ASP  93           1HB      ASP  93  -4.646  -4.671  11.037
  753    H    LEU  94           H        LEU  94  -3.937  -4.833   7.505
  754    HA   LEU  94           HA       LEU  94  -2.480  -2.423   7.938
  755    HB2  LEU  94           2HB      LEU  94  -1.561  -4.393   6.737
  756    HB3  LEU  94           1HB      LEU  94  -2.659  -4.066   5.396
  757    HG   LEU  94           HG       LEU  94  -1.633  -1.842   5.090
  758   HD11  LEU  94          1HD1      LEU  94   0.687  -1.706   6.394
  759   HD12  LEU  94          2HD1      LEU  94  -0.186  -2.693   7.565
  760   HD13  LEU  94          3HD1      LEU  94  -0.805  -1.104   7.115
  761   HD21  LEU  94          3HD2      LEU  94   0.838  -3.381   5.111
  762   HD22  LEU  94          1HD2      LEU  94  -0.095  -2.786   3.739
  763   HD23  LEU  94          2HD2      LEU  94  -0.508  -4.332   4.481
  764    H    ILE  95           H        ILE  95  -5.041  -3.201   5.585
  765    HA   ILE  95           HA       ILE  95  -4.980  -0.652   4.272
  766    HB   ILE  95           HB       ILE  95  -7.286  -2.581   4.607
  767   HG12  ILE  95          2HG1      ILE  95  -5.325  -2.263   2.316
  768   HG13  ILE  95          1HG1      ILE  95  -5.192  -3.510   3.557
  769   HG21  ILE  95          1HG2      ILE  95  -7.797  -1.390   2.286
  770   HG22  ILE  95          2HG2      ILE  95  -6.864  -0.084   3.013
  771   HG23  ILE  95          3HG2      ILE  95  -8.326  -0.670   3.805
  772   HD11  ILE  95          3HD1      ILE  95  -7.755  -3.185   2.016
  773   HD12  ILE  95          1HD1      ILE  95  -7.130  -4.615   2.839
  774   HD13  ILE  95          2HD1      ILE  95  -6.410  -4.087   1.316
  775    H    THR  96           H        THR  96  -6.646  -1.861   7.127
  776    HA   THR  96           HA       THR  96  -8.457   0.249   7.576
  777    HB   THR  96           HB       THR  96  -6.912  -1.204   9.735
  778    HG1  THR  96           1HG      THR  96  -9.375  -2.126   8.888
  779   HG21  THR  96          3HG2      THR  96  -8.727   0.804   9.970
  780   HG22  THR  96          1HG2      THR  96  -8.523  -0.471  11.172
  781   HG23  THR  96          2HG2      THR  96  -9.799  -0.596   9.961
  782    H    TYR  97           H        TYR  97  -5.015  -0.022   8.478
  783    HA   TYR  97           HA       TYR  97  -4.903   2.407   9.983
  784    HB2  TYR  97           2HB      TYR  97  -3.148   0.649  10.041
  785    HB3  TYR  97           1HB      TYR  97  -2.682   1.086   8.398
  786    HD1  TYR  97           1HD      TYR  97  -2.932   2.343  11.888
  787    HD2  TYR  97           2HD      TYR  97  -1.341   3.011   7.955
  788    HE1  TYR  97           1HE      TYR  97  -1.497   4.161  12.776
  789    HE2  TYR  97           2HE      TYR  97   0.093   4.829   8.843
  790    HH   TYR  97           HH       TYR  97  -0.355   6.187  11.916
  791    H    LEU  98           H        LEU  98  -3.893   1.818   6.572
  792    HA   LEU  98           HA       LEU  98  -3.482   4.626   6.053
  793    HB2  LEU  98           2HB      LEU  98  -3.965   2.298   4.169
  794    HB3  LEU  98           1HB      LEU  98  -3.504   3.919   3.646
  795    HG   LEU  98           HG       LEU  98  -1.891   2.185   5.541
  796   HD11  LEU  98          1HD1      LEU  98  -0.364   2.624   3.302
  797   HD12  LEU  98          2HD1      LEU  98  -1.976   2.458   2.603
  798   HD13  LEU  98          3HD1      LEU  98  -1.305   1.161   3.594
  799   HD21  LEU  98          3HD2      LEU  98  -1.694   4.993   4.542
  800   HD22  LEU  98          1HD2      LEU  98  -0.191   4.079   4.683
  801   HD23  LEU  98          2HD2      LEU  98  -1.214   4.323   6.100
  802    H    LYS  99           H        LYS  99  -6.201   2.420   5.661
  803    HA   LYS  99           HA       LYS  99  -7.929   4.109   4.183
  804    HB2  LYS  99           2HB      LYS  99  -8.406   1.724   4.675
  805    HB3  LYS  99           1HB      LYS  99  -8.649   2.136   6.369
  806    HG2  LYS  99           2HG      LYS  99 -10.486   3.673   5.700
  807    HG3  LYS  99           1HG      LYS  99 -10.281   3.145   4.031
  808    HD2  LYS  99           2HD      LYS  99 -10.770   0.823   4.702
  809    HD3  LYS  99           1HD      LYS  99 -10.979   1.350   6.372
  810    HE2  LYS  99           2HE      LYS  99 -13.051   2.185   5.974
  811    HE3  LYS  99           1HE      LYS  99 -12.570   2.887   4.429
  812    HZ1  LYS  99           3HZ      LYS  99 -13.996   0.527   4.886
  813    HZ2  LYS  99           1HZ      LYS  99 -12.505   0.096   4.200
  814    HZ3  LYS  99           2HZ      LYS  99 -13.522   1.196   3.398
  815    H    LYS 100           H        LYS 100  -7.286   3.903   7.667
  816    HA   LYS 100           HA       LYS 100  -9.280   5.722   8.557
  817    HB2  LYS 100           2HB      LYS 100  -7.888   4.289  10.049
  818    HB3  LYS 100           1HB      LYS 100  -6.498   5.315   9.691
  819    HG2  LYS 100           2HG      LYS 100  -7.778   7.277  10.562
  820    HG3  LYS 100           1HG      LYS 100  -9.076   6.177  11.029
  821    HD2  LYS 100           2HD      LYS 100  -7.385   4.888  12.382
  822    HD3  LYS 100           1HD      LYS 100  -6.226   6.173  12.047
  823    HE2  LYS 100           2HE      LYS 100  -7.068   7.020  14.007
  824    HE3  LYS 100           1HE      LYS 100  -8.288   7.675  12.915
  825    HZ1  LYS 100           3HZ      LYS 100  -8.990   5.043  13.568
  826    HZ2  LYS 100           1HZ      LYS 100  -9.816   6.476  13.945
  827    HZ3  LYS 100           2HZ      LYS 100  -8.643   5.866  15.012
  828    H    ALA 101           H        ALA 101  -5.990   6.254   7.363
  829    HA   ALA 101           HA       ALA 101  -5.794   9.030   7.903
  830    HB1  ALA 101           1HB      ALA 101  -4.114   9.083   6.105
  831    HB2  ALA 101           2HB      ALA 101  -4.668   7.510   5.531
  832    HB3  ALA 101           3HB      ALA 101  -3.896   7.650   7.110
  833    H    THR 102           H        THR 102  -7.445   7.301   5.308
  834    HA   THR 102           HA       THR 102  -7.916   9.589   3.630
  835    HB   THR 102           HB       THR 102  -9.596   8.220   2.538
  836    HG1  THR 102           1HG      THR 102 -10.190   7.432   4.859
  837   HG21  THR 102          3HG2      THR 102  -7.229   6.621   3.539
  838   HG22  THR 102          1HG2      THR 102  -7.326   7.560   2.049
  839   HG23  THR 102          2HG2      THR 102  -8.288   6.094   2.230
  840    H    GLU 103           H        GLU 103  -9.414   8.425   6.559
  841    HA   GLU 103           HA       GLU 103 -11.913   9.826   6.300
  842    HB2  GLU 103           2HB      GLU 103 -11.469   7.994   7.952
  843    HB3  GLU 103           1HB      GLU 103 -10.437   9.108   8.850
  844    HG2  GLU 103           2HG      GLU 103 -12.372  10.665   9.074
  845    HG3  GLU 103           1HG      GLU 103 -13.392   9.470   8.272
  846    HHA  HEC 201           HA       HEC 104   4.834   3.160  -5.661
  847    HHB  HEC 201           HB       HEC 104   1.060   0.520  -1.335
  848    HHC  HEC 201           HC       HEC 104   6.123  -0.966   2.158
  849    HHD  HEC 201           HD       HEC 104   9.898   1.524  -2.262
  850   HMA1  HEC 201          1HMA      HEC 104  -0.038   2.918  -4.048
  851   HMA2  HEC 201          2HMA      HEC 104  -0.005   2.247  -2.418
  852   HMA3  HEC 201          3HMA      HEC 104  -0.266   1.186  -3.803
  853   HAA1  HEC 201          1HAA      HEC 104   2.582   1.916  -6.600
  854   HAA2  HEC 201          2HAA      HEC 104   1.056   2.565  -6.024
  855   HBA1  HEC 201          1HBA      HEC 104   3.256   3.965  -7.206
  856   HBA2  HEC 201          2HBA      HEC 104   3.031   4.553  -5.559
  857   HMB1  HEC 201          1HMB      HEC 104   0.393  -0.626   1.300
  858   HMB2  HEC 201          2HMB      HEC 104   0.751  -1.426  -0.226
  859   HMB3  HEC 201          3HMB      HEC 104   1.210  -2.187   1.285
  860    HAB  HEC 201           HAB      HEC 104   4.341  -1.623   3.288
  861   HBB1  HEC 201          1HBB      HEC 104   2.277  -1.662   4.657
  862   HBB2  HEC 201          2HBB      HEC 104   2.152  -2.669   3.220
  863   HBB3  HEC 201          3HBB      HEC 104   1.365  -1.089   3.271
  864   HMC1  HEC 201          1HMC      HEC 104   8.567  -2.310   1.623
  865   HMC2  HEC 201          2HMC      HEC 104   8.382  -1.118   2.909
  866   HMC3  HEC 201          3HMC      HEC 104   9.928  -1.282   2.075
  867    HAC  HEC 201           HAC      HEC 104  10.941   1.498  -0.318
  868   HBC1  HEC 201          1HBC      HEC 104  12.196  -0.649   1.012
  869   HBC2  HEC 201          2HBC      HEC 104  11.061  -1.382  -0.122
  870   HBC3  HEC 201          3HBC      HEC 104  12.292  -0.262  -0.706
  871   HMD1  HEC 201          1HMD      HEC 104  10.613   2.687  -4.100
  872   HMD2  HEC 201          2HMD      HEC 104  10.009   3.103  -5.704
  873   HMD3  HEC 201          3HMD      HEC 104  10.065   1.416  -5.194
  874   HAD1  HEC 201          1HAD      HEC 104   8.313   4.600  -6.021
  875   HAD2  HEC 201          2HAD      HEC 104   6.559   4.599  -6.018
  876   HBD1  HEC 201          1HBD      HEC 104   8.437   3.014  -7.739
  877   HBD2  HEC 201          2HBD      HEC 104   6.794   2.439  -7.457
  Start of MODEL    8
    1    H1   THR  -5           1HT      THR  -5 -18.428  -3.956   3.665
    2    H2   THR  -5           2HT      THR  -5 -20.043  -3.665   3.224
    3    H3   THR  -5           3HT      THR  -5 -18.876  -3.974   2.029
    4    HA   THR  -5           HA       THR  -5 -19.620  -5.934   4.125
    5    HB   THR  -5           HB       THR  -5 -20.512  -5.982   1.238
    6    HG1  THR  -5           1HG      THR  -5 -21.288  -4.166   2.710
    7   HG21  THR  -5          1HG2      THR  -5 -21.604  -7.890   1.813
    8   HG22  THR  -5          2HG2      THR  -5 -22.076  -7.257   3.389
    9   HG23  THR  -5          3HG2      THR  -5 -20.463  -7.930   3.158
   10    H    GLU  -4           H        GLU  -4 -18.393  -5.494   0.783
   11    HA   GLU  -4           HA       GLU  -4 -16.995  -7.978   0.687
   12    HB2  GLU  -4           2HB      GLU  -4 -16.451  -5.369  -0.763
   13    HB3  GLU  -4           1HB      GLU  -4 -15.702  -6.913  -1.171
   14    HG2  GLU  -4           2HG      GLU  -4 -18.689  -6.384  -1.156
   15    HG3  GLU  -4           1HG      GLU  -4 -17.678  -6.435  -2.600
   16    H    PHE  -3           H        PHE  -3 -16.093  -4.811   1.943
   17    HA   PHE  -3           HA       PHE  -3 -13.378  -5.847   2.592
   18    HB2  PHE  -3           2HB      PHE  -3 -13.539  -3.626   1.493
   19    HB3  PHE  -3           1HB      PHE  -3 -14.505  -3.042   2.847
   20    HD1  PHE  -3           1HD      PHE  -3 -11.163  -4.364   1.887
   21    HD2  PHE  -3           2HD      PHE  -3 -13.497  -2.406   4.915
   22    HE1  PHE  -3           1HE      PHE  -3  -9.092  -3.846   3.148
   23    HE2  PHE  -3           2HE      PHE  -3 -11.426  -1.888   6.177
   24    HZ   PHE  -3           HZ       PHE  -3  -9.224  -2.610   5.294
   25    H    LYS  -2           H        LYS  -2 -12.929  -6.484   4.645
   26    HA   LYS  -2           HA       LYS  -2 -15.011  -6.126   6.713
   27    HB2  LYS  -2           2HB      LYS  -2 -13.875  -8.346   6.324
   28    HB3  LYS  -2           1HB      LYS  -2 -12.381  -7.617   6.914
   29    HG2  LYS  -2           2HG      LYS  -2 -13.436  -7.113   9.064
   30    HG3  LYS  -2           1HG      LYS  -2 -14.973  -7.754   8.481
   31    HD2  LYS  -2           2HD      LYS  -2 -13.901  -9.477   9.803
   32    HD3  LYS  -2           1HD      LYS  -2 -13.830  -9.964   8.108
   33    HE2  LYS  -2           2HE      LYS  -2 -11.543  -9.489   7.933
   34    HE3  LYS  -2           1HE      LYS  -2 -11.565  -8.397   9.317
   35    HZ1  LYS  -2           3HZ      LYS  -2 -10.626 -10.250  10.233
   36    HZ2  LYS  -2           1HZ      LYS  -2 -11.503 -11.329   9.261
   37    HZ3  LYS  -2           2HZ      LYS  -2 -12.263 -10.555  10.569
   38    H    ALA  -1           H        ALA  -1 -14.803  -4.703   8.401
   39    HA   ALA  -1           HA       ALA  -1 -12.894  -2.611   8.353
   40    HB1  ALA  -1           1HB      ALA  -1 -13.988  -1.815  10.200
   41    HB2  ALA  -1           2HB      ALA  -1 -13.974  -3.382  11.010
   42    HB3  ALA  -1           3HB      ALA  -1 -15.170  -3.048   9.757
   43    H    GLY   1           H        GLY   1 -10.785  -2.564   8.968
   44    HA2  GLY   1           2HA      GLY   1  -9.202  -4.731   9.591
   45    HA3  GLY   1           1HA      GLY   1  -8.829  -3.112  10.175
   46    H    SER   2           H        SER   2  -8.770  -5.971  11.398
   47    HA   SER   2           HA       SER   2 -10.649  -6.105  13.520
   48    HB2  SER   2           2HB      SER   2  -7.763  -7.034  13.577
   49    HB3  SER   2           1HB      SER   2  -9.068  -7.613  14.608
   50    HG   SER   2           HG       SER   2  -8.418  -8.748  12.485
   51    H    ALA   3           H        ALA   3  -7.565  -4.376  13.256
   52    HA   ALA   3           HA       ALA   3  -8.315  -2.406  15.182
   53    HB1  ALA   3           1HB      ALA   3  -7.709  -4.707  16.485
   54    HB2  ALA   3           2HB      ALA   3  -7.414  -3.107  17.166
   55    HB3  ALA   3           3HB      ALA   3  -6.105  -3.985  16.375
   56    H    LYS   4           H        LYS   4  -5.509  -2.184  16.214
   57    HA   LYS   4           HA       LYS   4  -4.420  -0.808  13.848
   58    HB2  LYS   4           2HB      LYS   4  -3.441  -0.967  16.716
   59    HB3  LYS   4           1HB      LYS   4  -2.715   0.033  15.458
   60    HG2  LYS   4           2HG      LYS   4  -4.914   1.176  15.151
   61    HG3  LYS   4           1HG      LYS   4  -5.552   0.242  16.506
   62    HD2  LYS   4           2HD      LYS   4  -3.747   1.189  17.953
   63    HD3  LYS   4           1HD      LYS   4  -3.238   2.200  16.600
   64    HE2  LYS   4           2HE      LYS   4  -5.666   3.042  16.531
   65    HE3  LYS   4           1HE      LYS   4  -5.850   2.290  18.115
   66    HZ1  LYS   4           3HZ      LYS   4  -4.989   4.140  18.950
   67    HZ2  LYS   4           1HZ      LYS   4  -4.553   4.726  17.418
   68    HZ3  LYS   4           2HZ      LYS   4  -3.500   3.693  18.263
   69    H    LYS   5           H        LYS   5  -4.348  -3.930  14.702
   70    HA   LYS   5           HA       LYS   5  -1.634  -4.691  14.868
   71    HB2  LYS   5           2HB      LYS   5  -3.920  -6.092  13.444
   72    HB3  LYS   5           1HB      LYS   5  -2.370  -6.841  13.830
   73    HG2  LYS   5           2HG      LYS   5  -2.773  -6.336  16.242
   74    HG3  LYS   5           1HG      LYS   5  -4.368  -5.716  15.814
   75    HD2  LYS   5           2HD      LYS   5  -4.913  -7.939  14.806
   76    HD3  LYS   5           1HD      LYS   5  -3.360  -8.543  15.385
   77    HE2  LYS   5           2HE      LYS   5  -4.167  -7.651  17.709
   78    HE3  LYS   5           1HE      LYS   5  -5.771  -7.708  16.977
   79    HZ1  LYS   5           3HZ      LYS   5  -5.797  -9.924  17.033
   80    HZ2  LYS   5           1HZ      LYS   5  -4.524  -9.795  18.147
   81    HZ3  LYS   5           2HZ      LYS   5  -4.188 -10.065  16.504
   82    H    GLY   6           H        GLY   6  -3.631  -4.045  11.983
   83    HA2  GLY   6           2HA      GLY   6  -1.613  -4.645  10.052
   84    HA3  GLY   6           1HA      GLY   6  -2.988  -3.575   9.778
   85    H    ALA   7           H        ALA   7  -2.223  -1.836  12.064
   86    HA   ALA   7           HA       ALA   7  -0.685   0.094  10.664
   87    HB1  ALA   7           1HB      ALA   7  -0.649  -0.033  13.664
   88    HB2  ALA   7           2HB      ALA   7  -2.164   0.302  12.826
   89    HB3  ALA   7           3HB      ALA   7  -0.783   1.378  12.612
   90    H    THR   8           H        THR   8   0.310  -2.325  13.082
   91    HA   THR   8           HA       THR   8   3.069  -1.501  13.128
   92    HB   THR   8           HB       THR   8   3.470  -3.627  14.250
   93    HG1  THR   8           1HG      THR   8   1.310  -4.899  14.367
   94   HG21  THR   8          3HG2      THR   8   1.009  -3.439  15.589
   95   HG22  THR   8          1HG2      THR   8   1.332  -1.817  14.974
   96   HG23  THR   8          2HG2      THR   8   2.511  -2.618  16.015
   97    H    LEU   9           H        LEU   9   1.205  -3.794  11.171
   98    HA   LEU   9           HA       LEU   9   3.379  -5.033   9.805
   99    HB2  LEU   9           2HB      LEU   9   0.760  -5.460   9.726
  100    HB3  LEU   9           1HB      LEU   9   0.827  -4.334   8.376
  101    HG   LEU   9           HG       LEU   9   1.040  -6.571   7.488
  102   HD11  LEU   9          1HD1      LEU   9   3.005  -6.320   6.218
  103   HD12  LEU   9          2HD1      LEU   9   3.872  -5.547   7.544
  104   HD13  LEU   9          3HD1      LEU   9   2.604  -4.669   6.687
  105   HD21  LEU   9          3HD2      LEU   9   2.053  -8.226   8.628
  106   HD22  LEU   9          1HD2      LEU   9   2.355  -7.073   9.927
  107   HD23  LEU   9          2HD2      LEU   9   3.571  -7.329   8.675
  108    H    PHE  10           H        PHE  10   1.597  -2.037   9.281
  109    HA   PHE  10           HA       PHE  10   2.911  -1.239   6.850
  110    HB2  PHE  10           2HB      PHE  10   0.768  -0.268   7.767
  111    HB3  PHE  10           1HB      PHE  10   1.722   0.525   9.015
  112    HD1  PHE  10           2HD      PHE  10   1.163   0.300   5.348
  113    HD2  PHE  10           1HD      PHE  10   2.972   2.500   8.562
  114    HE1  PHE  10           2HE      PHE  10   1.662   2.166   3.792
  115    HE2  PHE  10           1HE      PHE  10   3.460   4.365   7.006
  116    HZ   PHE  10           HZ       PHE  10   2.816   4.196   4.624
  117    H    LYS  11           H        LYS  11   3.433  -0.412  10.269
  118    HA   LYS  11           HA       LYS  11   5.715   1.254   9.891
  119    HB2  LYS  11           2HB      LYS  11   4.306   1.012  11.999
  120    HB3  LYS  11           1HB      LYS  11   5.165  -0.498  12.296
  121    HG2  LYS  11           2HG      LYS  11   7.320   0.725  12.241
  122    HG3  LYS  11           1HG      LYS  11   6.440   2.237  12.012
  123    HD2  LYS  11           2HD      LYS  11   5.224   1.787  14.159
  124    HD3  LYS  11           1HD      LYS  11   6.266   0.386  14.405
  125    HE2  LYS  11           2HE      LYS  11   8.125   2.305  13.877
  126    HE3  LYS  11           1HE      LYS  11   6.883   3.267  14.678
  127    HZ1  LYS  11           3HZ      LYS  11   8.020   2.514  16.479
  128    HZ2  LYS  11           1HZ      LYS  11   8.504   1.073  15.729
  129    HZ3  LYS  11           2HZ      LYS  11   6.917   1.232  16.315
  130    H    THR  12           H        THR  12   5.403  -2.237  10.398
  131    HA   THR  12           HA       THR  12   8.208  -2.747  10.708
  132    HB   THR  12           HB       THR  12   7.620  -5.090  10.366
  133    HG1  THR  12           1HG      THR  12   5.105  -4.063   9.556
  134   HG21  THR  12          3HG2      THR  12   6.892  -4.873  12.487
  135   HG22  THR  12          1HG2      THR  12   5.264  -4.756  11.817
  136   HG23  THR  12          2HG2      THR  12   6.187  -3.292  12.153
  137    H    ARG  13           H        ARG  13   6.148  -2.536   7.817
  138    HA   ARG  13           HA       ARG  13   8.620  -2.531   6.203
  139    HB2  ARG  13           2HB      ARG  13   6.402  -4.555   5.820
  140    HB3  ARG  13           1HB      ARG  13   7.665  -4.246   4.631
  141    HG2  ARG  13           2HG      ARG  13   9.367  -4.782   6.408
  142    HG3  ARG  13           1HG      ARG  13   8.037  -5.266   7.460
  143    HD2  ARG  13           2HD      ARG  13   7.310  -6.886   5.677
  144    HD3  ARG  13           1HD      ARG  13   8.785  -6.494   4.794
  145    HE   ARG  13           HE       ARG  13   9.951  -7.876   6.298
  146   HH11  ARG  13          1HH2      ARG  13   6.959  -6.785   7.620
  147   HH12  ARG  13          2HH2      ARG  13   7.103  -7.727   9.067
  148   HH21  ARG  13          1HH1      ARG  13  10.155  -9.112   8.180
  149   HH22  ARG  13          2HH1      ARG  13   8.913  -9.044   9.384
  150    H    CYS  14           H        CYS  14   7.284  -0.247   6.406
  151    HA   CYS  14           HA       CYS  14   6.368   0.247   3.733
  152    HB2  CYS  14           2HB      CYS  14   4.389  -0.968   4.984
  153    HB3  CYS  14           1HB      CYS  14   4.129   0.633   5.674
  154    H    LEU  15           H        LEU  15   5.745   1.476   7.041
  155    HA   LEU  15           HA       LEU  15   5.630   4.211   6.381
  156    HB2  LEU  15           2HB      LEU  15   5.125   3.281   8.637
  157    HB3  LEU  15           1HB      LEU  15   6.847   3.005   8.884
  158    HG   LEU  15           HG       LEU  15   7.115   5.539   8.372
  159   HD11  LEU  15          1HD1      LEU  15   5.060   6.828   9.094
  160   HD12  LEU  15          2HD1      LEU  15   4.149   5.327   8.944
  161   HD13  LEU  15          3HD1      LEU  15   4.918   6.040   7.524
  162   HD21  LEU  15          3HD2      LEU  15   6.281   6.038  10.794
  163   HD22  LEU  15          1HD2      LEU  15   7.582   4.869  10.570
  164   HD23  LEU  15          2HD2      LEU  15   5.932   4.310  10.849
  165    H    GLN  16           H        GLN  16   8.471   2.173   6.974
  166    HA   GLN  16           HA       GLN  16  10.444   4.192   7.019
  167    HB2  GLN  16           2HB      GLN  16  10.773   1.712   7.435
  168    HB3  GLN  16           1HB      GLN  16  10.752   1.492   5.684
  169    HG2  GLN  16           2HG      GLN  16  12.635   3.108   5.489
  170    HG3  GLN  16           1HG      GLN  16  12.689   3.222   7.249
  171   HE21  GLN  16          1HE2      GLN  16  13.548   1.410   8.440
  172   HE22  GLN  16          2HE2      GLN  16  14.324   0.109   7.674
  173    H    CYS  17           H        CYS  17   8.793   2.681   4.270
  174    HA   CYS  17           HA       CYS  17  10.427   4.299   2.395
  175    HB2  CYS  17           2HB      CYS  17   8.359   2.139   1.940
  176    HB3  CYS  17           1HB      CYS  17   9.193   2.998   0.646
  177    H    HIS  18           H        HIS  18   6.998   3.837   3.296
  178    HA   HIS  18           HA       HIS  18   6.343   6.258   1.681
  179    HB2  HIS  18           2HB      HIS  18   4.657   3.992   2.765
  180    HB3  HIS  18           1HB      HIS  18   3.951   5.457   2.076
  181    HD1  HIS  18           1HD      HIS  18   4.694   5.976  -0.495
  182    HD2  HIS  18           2HD      HIS  18   5.451   2.128   0.907
  183    HE1  HIS  18           1HE      HIS  18   5.081   4.527  -2.547
  184    H    THR  19           H        THR  19   5.837   8.129   2.694
  185    HA   THR  19           HA       THR  19   5.709   8.152   5.646
  186    HB   THR  19           HB       THR  19   5.907  10.569   5.438
  187    HG1  THR  19           1HG      THR  19   4.530  10.694   3.570
  188   HG21  THR  19          3HG2      THR  19   7.785  10.005   3.294
  189   HG22  THR  19          1HG2      THR  19   7.792   8.721   4.501
  190   HG23  THR  19          2HG2      THR  19   8.105  10.388   4.985
  191    H    VAL  20           H        VAL  20   3.589   8.267   2.927
  192    HA   VAL  20           HA       VAL  20   1.258   8.470   2.788
  193    HB   VAL  20           HB       VAL  20   1.216   8.259   5.802
  194   HG11  VAL  20          1HG1      VAL  20  -0.699   6.725   4.229
  195   HG12  VAL  20          2HG1      VAL  20  -0.774   8.445   3.852
  196   HG13  VAL  20          3HG1      VAL  20  -0.992   7.897   5.514
  197   HG21  VAL  20          3HG2      VAL  20   1.220   5.799   5.477
  198   HG22  VAL  20          1HG2      VAL  20   2.735   6.525   4.940
  199   HG23  VAL  20          2HG2      VAL  20   1.521   6.038   3.755
  200    H    GLU  21           H        GLU  21   3.091  10.847   3.522
  201    HA   GLU  21           HA       GLU  21   1.013  12.610   4.742
  202    HB2  GLU  21           2HB      GLU  21   3.298  12.590   5.771
  203    HB3  GLU  21           1HB      GLU  21   3.947  13.195   4.247
  204    HG2  GLU  21           2HG      GLU  21   2.424  15.162   4.420
  205    HG3  GLU  21           1HG      GLU  21   1.891  14.578   5.996
  206    H    LYS  22           H        LYS  22   0.137  14.287   3.540
  207    HA   LYS  22           HA       LYS  22   0.225  14.176   0.698
  208    HB2  LYS  22           2HB      LYS  22  -1.031  16.247   0.736
  209    HB3  LYS  22           1HB      LYS  22  -1.588  15.253   2.081
  210    HG2  LYS  22           2HG      LYS  22  -0.004  16.495   3.580
  211    HG3  LYS  22           1HG      LYS  22   0.372  17.562   2.226
  212    HD2  LYS  22           2HD      LYS  22  -2.130  18.018   2.055
  213    HD3  LYS  22           1HD      LYS  22  -2.292  17.204   3.611
  214    HE2  LYS  22           2HE      LYS  22  -0.959  19.809   2.965
  215    HE3  LYS  22           1HE      LYS  22  -2.023  19.401   4.312
  216    HZ1  LYS  22           3HZ      LYS  22   0.761  18.428   3.960
  217    HZ2  LYS  22           1HZ      LYS  22  -0.261  18.063   5.264
  218    HZ3  LYS  22           2HZ      LYS  22   0.274  19.657   5.026
  219    H    GLY  23           H        GLY  23   2.019  16.169   3.015
  220    HA2  GLY  23           2HA      GLY  23   3.628  17.257   0.743
  221    HA3  GLY  23           1HA      GLY  23   3.501  18.014   2.334
  222    H    GLY  24           H        GLY  24   3.883  14.555   1.982
  223    HA2  GLY  24           2HA      GLY  24   6.093  14.441   3.762
  224    HA3  GLY  24           1HA      GLY  24   5.605  13.131   2.688
  225    HA   PRO  25           HA       PRO  25   9.537  15.438   1.160
  226    HB2  PRO  25           2HB      PRO  25  11.500  13.929   2.293
  227    HB3  PRO  25           1HB      PRO  25  10.823  15.368   3.082
  228    HG2  PRO  25           2HG      PRO  25  10.226  12.487   3.558
  229    HG3  PRO  25           1HG      PRO  25  10.425  13.803   4.723
  230    HD2  PRO  25           2HD      PRO  25   7.974  12.878   3.956
  231    HD3  PRO  25           1HD      PRO  25   8.257  14.561   4.453
  232    H    HIS  26           H        HIS  26   8.141  12.383   1.125
  233    HA   HIS  26           HA       HIS  26   8.300  10.573  -0.340
  234    HB2  HIS  26           2HB      HIS  26   9.883  12.519  -2.050
  235    HB3  HIS  26           1HB      HIS  26   9.145  11.016  -2.595
  236    HD1  HIS  26           1HD      HIS  26   6.608  10.978  -2.952
  237    HD2  HIS  26           2HD      HIS  26   8.001  14.631  -1.506
  238    HE1  HIS  26           1HE      HIS  26   4.686  12.607  -3.162
  239    HE2  HIS  26           2HE      HIS  26   5.520  14.838  -2.284
  240    H    LYS  27           H        LYS  27   9.811   9.941   1.559
  241    HA   LYS  27           HA       LYS  27  12.635  10.043   1.319
  242    HB2  LYS  27           2HB      LYS  27  11.236   9.267   3.320
  243    HB3  LYS  27           1HB      LYS  27  11.121   7.709   2.505
  244    HG2  LYS  27           2HG      LYS  27  13.609   7.597   2.422
  245    HG3  LYS  27           1HG      LYS  27  13.685   9.121   3.306
  246    HD2  LYS  27           2HD      LYS  27  12.357   8.046   5.147
  247    HD3  LYS  27           1HD      LYS  27  12.493   6.514   4.286
  248    HE2  LYS  27           2HE      LYS  27  14.338   6.339   5.666
  249    HE3  LYS  27           1HE      LYS  27  15.079   7.152   4.288
  250    HZ1  LYS  27           3HZ      LYS  27  14.828   9.249   5.363
  251    HZ2  LYS  27           1HZ      LYS  27  15.580   8.196   6.458
  252    HZ3  LYS  27           2HZ      LYS  27  13.931   8.564   6.633
  253    H    VAL  28           H        VAL  28  12.263   6.785   1.484
  254    HA   VAL  28           HA       VAL  28  13.597   6.296  -0.999
  255    HB   VAL  28           HB       VAL  28  12.072   4.400   0.812
  256   HG11  VAL  28          1HG1      VAL  28  13.993   3.876  -1.475
  257   HG12  VAL  28          2HG1      VAL  28  12.289   3.428  -1.411
  258   HG13  VAL  28          3HG1      VAL  28  13.448   2.649  -0.333
  259   HG21  VAL  28          3HG2      VAL  28  14.546   5.779   1.105
  260   HG22  VAL  28          1HG2      VAL  28  14.928   4.086   0.797
  261   HG23  VAL  28          2HG2      VAL  28  13.881   4.523   2.148
  262    H    GLY  29           H        GLY  29  10.190   6.038  -0.035
  263    HA2  GLY  29           2HA      GLY  29   9.508   5.666  -2.929
  264    HA3  GLY  29           1HA      GLY  29   8.583   4.914  -1.630
  265    HA   PRO  30           HA       PRO  30   7.077   9.314  -2.824
  266    HB2  PRO  30           2HB      PRO  30   4.701   8.468  -3.983
  267    HB3  PRO  30           1HB      PRO  30   6.169   8.899  -4.879
  268    HG2  PRO  30           2HG      PRO  30   5.109   6.225  -4.157
  269    HG3  PRO  30           1HG      PRO  30   5.973   6.747  -5.613
  270    HD2  PRO  30           2HD      PRO  30   7.176   5.317  -3.627
  271    HD3  PRO  30           1HD      PRO  30   8.056   6.488  -4.635
  272    H    ASN  31           H        ASN  31   5.316  10.378  -1.711
  273    HA   ASN  31           HA       ASN  31   4.351   8.870   0.623
  274    HB2  ASN  31           2HB      ASN  31   3.703  11.736  -0.100
  275    HB3  ASN  31           1HB      ASN  31   3.683  10.992   1.497
  276   HD21  ASN  31          1HD2      ASN  31   6.217   9.601   1.366
  277   HD22  ASN  31          2HD2      ASN  31   7.447  10.767   1.305
  278    H    LEU  32           H        LEU  32   2.257   8.121   0.844
  279    HA   LEU  32           HA       LEU  32   0.478   8.389  -1.499
  280    HB2  LEU  32           2HB      LEU  32   0.456   6.679   0.986
  281    HB3  LEU  32           1HB      LEU  32  -0.959   6.784  -0.062
  282    HG   LEU  32           HG       LEU  32   0.524   6.153  -2.000
  283   HD11  LEU  32          1HD1      LEU  32   2.675   4.957  -1.226
  284   HD12  LEU  32          2HD1      LEU  32   2.484   5.852   0.280
  285   HD13  LEU  32          3HD1      LEU  32   2.700   6.721  -1.238
  286   HD21  LEU  32          3HD2      LEU  32   0.978   3.817  -0.389
  287   HD22  LEU  32          1HD2      LEU  32  -0.273   4.084  -1.602
  288   HD23  LEU  32          2HD2      LEU  32  -0.562   4.537   0.078
  289    H    HIS  33           H        HIS  33  -1.327   7.875   1.279
  290    HA   HIS  33           HA       HIS  33  -2.679   9.270   2.621
  291    HB2  HIS  33           2HB      HIS  33  -0.552  10.857   2.337
  292    HB3  HIS  33           1HB      HIS  33  -1.670  11.762   1.315
  293    HD1  HIS  33           1HD      HIS  33  -1.636  10.217   4.810
  294    HD2  HIS  33           2HD      HIS  33  -3.332  13.427   2.757
  295    HE1  HIS  33           1HE      HIS  33  -2.929  11.565   6.525
  296    HE2  HIS  33           2HE      HIS  33  -3.965  13.519   5.285
  297    H    GLY  34           H        GLY  34  -4.502   8.508   1.440
  298    HA2  GLY  34           2HA      GLY  34  -6.555   9.194   0.403
  299    HA3  GLY  34           1HA      GLY  34  -5.706  10.564  -0.315
  300    H    ILE  35           H        ILE  35  -3.832   7.827  -0.697
  301    HA   ILE  35           HA       ILE  35  -4.029   7.785  -3.523
  302    HB   ILE  35           HB       ILE  35  -2.195   6.787  -2.021
  303   HG12  ILE  35          2HG1      ILE  35  -2.000   4.756  -3.721
  304   HG13  ILE  35          1HG1      ILE  35  -3.347   5.576  -4.511
  305   HG21  ILE  35          1HG2      ILE  35  -3.887   4.297  -2.196
  306   HG22  ILE  35          2HG2      ILE  35  -3.996   5.374  -0.802
  307   HG23  ILE  35          3HG2      ILE  35  -2.465   4.593  -1.196
  308   HD11  ILE  35          3HD1      ILE  35  -1.487   6.568  -5.537
  309   HD12  ILE  35          1HD1      ILE  35  -0.544   6.568  -4.046
  310   HD13  ILE  35          2HD1      ILE  35  -1.866   7.716  -4.252
  311    H    PHE  36           H        PHE  36  -6.087   6.375  -1.125
  312    HA   PHE  36           HA       PHE  36  -7.157   4.196  -2.626
  313    HB2  PHE  36           2HB      PHE  36  -8.366   5.946  -0.469
  314    HB3  PHE  36           1HB      PHE  36  -9.158   4.512  -1.115
  315    HD1  PHE  36           2HD      PHE  36  -8.230   2.274  -0.744
  316    HD2  PHE  36           1HD      PHE  36  -6.379   5.769   0.933
  317    HE1  PHE  36           2HE      PHE  36  -6.896   0.840   0.772
  318    HE2  PHE  36           1HE      PHE  36  -5.045   4.332   2.451
  319    HZ   PHE  36           HZ       PHE  36  -5.304   1.867   2.369
  320    H    GLY  37           H        GLY  37  -8.673   4.136  -4.241
  321    HA2  GLY  37           2HA      GLY  37 -10.237   4.894  -5.819
  322    HA3  GLY  37           1HA      GLY  37 -10.590   6.231  -4.723
  323    H    ARG  38           H        ARG  38  -7.310   5.675  -5.783
  324    HA   ARG  38           HA       ARG  38  -7.574   7.907  -7.741
  325    HB2  ARG  38           2HB      ARG  38  -5.470   7.690  -5.571
  326    HB3  ARG  38           1HB      ARG  38  -5.478   8.899  -6.855
  327    HG2  ARG  38           2HG      ARG  38  -7.759   9.616  -6.061
  328    HG3  ARG  38           1HG      ARG  38  -7.560   8.534  -4.683
  329    HD2  ARG  38           2HD      ARG  38  -5.370   9.768  -4.212
  330    HD3  ARG  38           1HD      ARG  38  -5.914  10.968  -5.381
  331    HE   ARG  38           HE       ARG  38  -7.923  10.428  -3.355
  332   HH11  ARG  38          1HH2      ARG  38  -5.029  12.121  -4.152
  333   HH12  ARG  38          2HH2      ARG  38  -5.318  13.411  -3.032
  334   HH21  ARG  38          1HH1      ARG  38  -8.317  12.103  -1.889
  335   HH22  ARG  38          2HH1      ARG  38  -7.179  13.401  -1.750
  336    H    HIS  39           H        HIS  39  -5.801   7.981  -9.305
  337    HA   HIS  39           HA       HIS  39  -4.801   5.267  -9.903
  338    HB2  HIS  39           2HB      HIS  39  -4.739   7.847 -11.496
  339    HB3  HIS  39           1HB      HIS  39  -4.115   6.303 -12.076
  340    HD1  HIS  39           1HD      HIS  39  -7.305   8.125 -11.341
  341    HD2  HIS  39           2HD      HIS  39  -6.126   4.356 -12.686
  342    HE1  HIS  39           1HE      HIS  39  -9.395   6.988 -12.217
  343    HE2  HIS  39           2HE      HIS  39  -8.688   4.695 -13.037
  344    H    SER  40           H        SER  40  -2.542   4.864 -10.278
  345    HA   SER  40           HA       SER  40  -0.780   6.156  -8.422
  346    HB2  SER  40           2HB      SER  40   0.922   4.713  -9.301
  347    HB3  SER  40           1HB      SER  40  -0.580   3.793  -9.341
  348    HG   SER  40           HG       SER  40  -0.702   4.813 -11.579
  349    H    GLY  41           H        GLY  41   1.166   7.383  -8.953
  350    HA2  GLY  41           2HA      GLY  41   2.493   8.772 -10.397
  351    HA3  GLY  41           1HA      GLY  41   1.216   8.686 -11.609
  352    H    GLN  42           H        GLN  42  -0.639   9.254  -9.112
  353    HA   GLN  42           HA       GLN  42  -1.032  12.024  -9.679
  354    HB2  GLN  42           2HB      GLN  42  -2.754  10.503  -8.672
  355    HB3  GLN  42           1HB      GLN  42  -1.853  10.560  -7.156
  356    HG2  GLN  42           2HG      GLN  42  -2.056  13.069  -7.209
  357    HG3  GLN  42           1HG      GLN  42  -3.124  12.899  -8.603
  358   HE21  GLN  42          1HE2      GLN  42  -5.307  12.774  -8.080
  359   HE22  GLN  42          2HE2      GLN  42  -5.923  12.250  -6.589
  360    H    ALA  43           H        ALA  43   0.813  10.392  -7.119
  361    HA   ALA  43           HA       ALA  43   1.340  12.614  -5.469
  362    HB1  ALA  43           1HB      ALA  43   3.016  11.335  -4.506
  363    HB2  ALA  43           2HB      ALA  43   3.563  10.695  -6.055
  364    HB3  ALA  43           3HB      ALA  43   2.088  10.073  -5.315
  365    H    GLU  44           H        GLU  44   2.766  14.324  -5.587
  366    HA   GLU  44           HA       GLU  44   4.314  14.595  -8.135
  367    HB2  GLU  44           2HB      GLU  44   3.031  16.756  -6.435
  368    HB3  GLU  44           1HB      GLU  44   3.987  17.037  -7.889
  369    HG2  GLU  44           2HG      GLU  44   2.367  15.668  -9.189
  370    HG3  GLU  44           1HG      GLU  44   1.390  15.481  -7.733
  371    H    GLY  45           H        GLY  45   6.390  15.643  -7.949
  372    HA2  GLY  45           2HA      GLY  45   8.226  16.569  -6.687
  373    HA3  GLY  45           1HA      GLY  45   7.420  16.067  -5.198
  374    H    TYR  46           H        TYR  46   7.131  13.524  -7.282
  375    HA   TYR  46           HA       TYR  46   9.792  12.371  -6.624
  376    HB2  TYR  46           2HB      TYR  46   8.114  11.725  -4.838
  377    HB3  TYR  46           1HB      TYR  46   7.203  10.885  -6.096
  378    HD1  TYR  46           1HD      TYR  46  10.519  11.053  -4.407
  379    HD2  TYR  46           2HD      TYR  46   7.890   8.743  -6.898
  380    HE1  TYR  46           1HE      TYR  46  12.033   9.102  -4.195
  381    HE2  TYR  46           2HE      TYR  46   9.411   6.793  -6.689
  382    HH   TYR  46           HH       TYR  46  12.352   6.824  -5.974
  383    H    SER  47           H        SER  47  10.062  10.218  -7.832
  384    HA   SER  47           HA       SER  47   8.734  10.459 -10.502
  385    HB2  SER  47           2HB      SER  47  11.415   9.235  -9.795
  386    HB3  SER  47           1HB      SER  47  10.738   9.362 -11.416
  387    HG   SER  47           HG       SER  47  12.247  11.069 -10.717
  388    H    TYR  48           H        TYR  48   8.048   8.532 -11.543
  389    HA   TYR  48           HA       TYR  48   7.628   6.232  -9.681
  390    HB2  TYR  48           2HB      TYR  48   6.056   7.268 -12.042
  391    HB3  TYR  48           1HB      TYR  48   5.799   5.648 -11.397
  392    HD1  TYR  48           1HD      TYR  48   6.232   9.139 -10.054
  393    HD2  TYR  48           2HD      TYR  48   4.079   5.427  -9.864
  394    HE1  TYR  48           1HE      TYR  48   4.778  10.072  -8.274
  395    HE2  TYR  48           2HE      TYR  48   2.628   6.359  -8.085
  396    HH   TYR  48           HH       TYR  48   2.248   8.078  -6.743
  397    H    THR  49           H        THR  49   7.972   4.089 -10.517
  398    HA   THR  49           HA       THR  49  10.147   3.925 -12.444
  399    HB   THR  49           HB       THR  49  10.110   1.549 -12.003
  400    HG1  THR  49           1HG      THR  49   7.526   1.963 -11.786
  401   HG21  THR  49          3HG2      THR  49  10.095   3.522  -9.914
  402   HG22  THR  49          1HG2      THR  49  11.022   2.024 -10.008
  403   HG23  THR  49          2HG2      THR  49   9.407   2.018  -9.299
  404    H    ASP  50           H        ASP  50  10.024   2.665 -14.449
  405    HA   ASP  50           HA       ASP  50   7.872   3.416 -16.134
  406    HB2  ASP  50           2HB      ASP  50   9.907   1.203 -16.419
  407    HB3  ASP  50           1HB      ASP  50   8.812   1.696 -17.708
  408    H    ALA  51           H        ALA  51   8.363   0.514 -14.186
  409    HA   ALA  51           HA       ALA  51   6.419  -1.171 -15.333
  410    HB1  ALA  51           1HB      ALA  51   7.398  -2.381 -13.692
  411    HB2  ALA  51           2HB      ALA  51   6.177  -1.677 -12.631
  412    HB3  ALA  51           3HB      ALA  51   7.779  -0.945 -12.742
  413    H    ASN  52           H        ASN  52   5.856   0.843 -12.403
  414    HA   ASN  52           HA       ASN  52   3.052   0.523 -12.380
  415    HB2  ASN  52           2HB      ASN  52   4.353   1.537 -10.526
  416    HB3  ASN  52           1HB      ASN  52   4.610   2.975 -11.514
  417   HD21  ASN  52          1HD2      ASN  52   1.926   0.967 -10.155
  418   HD22  ASN  52          2HD2      ASN  52   0.843   2.267 -10.009
  419    H    ILE  53           H        ILE  53   4.985   3.051 -14.031
  420    HA   ILE  53           HA       ILE  53   2.751   4.498 -15.047
  421    HB   ILE  53           HB       ILE  53   5.524   4.174 -16.214
  422   HG12  ILE  53          2HG1      ILE  53   5.624   4.997 -13.925
  423   HG13  ILE  53          1HG1      ILE  53   5.934   6.332 -15.026
  424   HG21  ILE  53          1HG2      ILE  53   4.114   5.114 -17.884
  425   HG22  ILE  53          2HG2      ILE  53   4.950   6.479 -17.146
  426   HG23  ILE  53          3HG2      ILE  53   3.278   6.128 -16.710
  427   HD11  ILE  53          3HD1      ILE  53   4.392   7.313 -13.592
  428   HD12  ILE  53          1HD1      ILE  53   3.522   5.803 -13.333
  429   HD13  ILE  53          2HD1      ILE  53   3.321   6.692 -14.843
  430    H    LYS  54           H        LYS  54   4.708   1.898 -16.521
  431    HA   LYS  54           HA       LYS  54   3.308   1.805 -18.996
  432    HB2  LYS  54           2HB      LYS  54   5.467   0.624 -18.515
  433    HB3  LYS  54           1HB      LYS  54   4.569  -0.531 -17.529
  434    HG2  LYS  54           2HG      LYS  54   3.175  -1.107 -19.502
  435    HG3  LYS  54           1HG      LYS  54   4.133   0.005 -20.482
  436    HD2  LYS  54           2HD      LYS  54   6.179  -1.312 -19.875
  437    HD3  LYS  54           1HD      LYS  54   5.135  -2.477 -19.060
  438    HE2  LYS  54           2HE      LYS  54   4.893  -3.516 -21.046
  439    HE3  LYS  54           1HE      LYS  54   3.969  -2.114 -21.585
  440    HZ1  LYS  54           3HZ      LYS  54   5.718  -1.277 -22.720
  441    HZ2  LYS  54           1HZ      LYS  54   6.164  -2.911 -22.798
  442    HZ3  LYS  54           2HZ      LYS  54   6.876  -1.891 -21.640
  443    H    LYS  55           H        LYS  55   2.669   0.236 -15.885
  444    HA   LYS  55           HA       LYS  55   0.268  -1.083 -16.993
  445    HB2  LYS  55           2HB      LYS  55   2.046  -1.858 -15.065
  446    HB3  LYS  55           1HB      LYS  55   0.749  -1.184 -14.079
  447    HG2  LYS  55           2HG      LYS  55   0.365  -3.255 -16.261
  448    HG3  LYS  55           1HG      LYS  55   0.415  -3.607 -14.532
  449    HD2  LYS  55           2HD      LYS  55  -1.503  -1.998 -14.230
  450    HD3  LYS  55           1HD      LYS  55  -1.617  -1.895 -15.987
  451    HE2  LYS  55           2HE      LYS  55  -1.817  -4.467 -14.394
  452    HE3  LYS  55           1HE      LYS  55  -3.194  -3.573 -15.037
  453    HZ1  LYS  55           3HZ      LYS  55  -2.389  -5.439 -16.458
  454    HZ2  LYS  55           1HZ      LYS  55  -0.962  -4.561 -16.720
  455    HZ3  LYS  55           2HZ      LYS  55  -2.452  -3.931 -17.240
  456    H    ASN  56           H        ASN  56   0.849   0.854 -14.039
  457    HA   ASN  56           HA       ASN  56  -0.451   2.536 -13.059
  458    HB2  ASN  56           2HB      ASN  56  -0.499   3.123 -15.747
  459    HB3  ASN  56           1HB      ASN  56  -2.217   2.967 -15.377
  460   HD21  ASN  56          1HD2      ASN  56   0.438   4.165 -13.266
  461   HD22  ASN  56          2HD2      ASN  56  -0.250   5.696 -13.009
  462    H    VAL  57           H        VAL  57  -1.806   1.726 -11.567
  463    HA   VAL  57           HA       VAL  57  -4.319   0.413 -12.509
  464    HB   VAL  57           HB       VAL  57  -2.733  -1.299 -11.723
  465   HG11  VAL  57          1HG1      VAL  57  -1.517  -1.097  -9.797
  466   HG12  VAL  57          2HG1      VAL  57  -2.837  -0.310  -8.929
  467   HG13  VAL  57          3HG1      VAL  57  -1.825   0.623 -10.030
  468   HG21  VAL  57          3HG2      VAL  57  -4.452  -2.417 -10.766
  469   HG22  VAL  57          1HG2      VAL  57  -5.363  -0.909 -10.843
  470   HG23  VAL  57          2HG2      VAL  57  -4.470  -1.327  -9.380
  471    H    LEU  58           H        LEU  58  -6.147   0.770 -11.174
  472    HA   LEU  58           HA       LEU  58  -6.107   3.253  -9.659
  473    HB2  LEU  58           2HB      LEU  58  -8.095   2.575 -10.951
  474    HB3  LEU  58           1HB      LEU  58  -8.263   1.132  -9.956
  475    HG   LEU  58           HG       LEU  58  -8.530   2.613  -7.946
  476   HD11  LEU  58          1HD1      LEU  58  -7.791   4.731  -8.220
  477   HD12  LEU  58          2HD1      LEU  58  -9.328   5.025  -9.031
  478   HD13  LEU  58          3HD1      LEU  58  -7.895   4.632  -9.977
  479   HD21  LEU  58          3HD2      LEU  58 -10.558   3.424 -10.015
  480   HD22  LEU  58          1HD2      LEU  58 -10.813   2.979  -8.327
  481   HD23  LEU  58          2HD2      LEU  58 -10.425   1.738  -9.518
  482    H    TRP  59           H        TRP  59  -5.817   3.458  -7.466
  483    HA   TRP  59           HA       TRP  59  -5.400   0.950  -5.944
  484    HB2  TRP  59           2HB      TRP  59  -4.687   3.834  -5.371
  485    HB3  TRP  59           1HB      TRP  59  -4.453   2.531  -4.204
  486    HD1  TRP  59           HD       TRP  59  -2.918   4.113  -7.202
  487    HE1  TRP  59           1HE      TRP  59  -0.819   2.798  -7.929
  488    HE3  TRP  59           3HE      TRP  59  -3.439  -0.034  -4.293
  489    HZ2  TRP  59           2HZ      TRP  59   0.469   0.305  -7.345
  490    HZ3  TRP  59           3HZ      TRP  59  -1.767  -1.852  -4.385
  491    HH2  TRP  59           HH       TRP  59   0.186  -1.692  -5.905
  492    H    ASP  60           H        ASP  60  -6.884   0.230  -4.593
  493    HA   ASP  60           HA       ASP  60  -8.649   2.048  -3.105
  494    HB2  ASP  60           2HB      ASP  60 -10.703   0.848  -3.831
  495    HB3  ASP  60           1HB      ASP  60  -9.925   1.686  -5.174
  496    H    GLU  61           H        GLU  61 -10.201   0.412  -1.731
  497    HA   GLU  61           HA       GLU  61  -8.454  -1.050  -0.039
  498    HB2  GLU  61           2HB      GLU  61 -11.443  -1.358  -0.429
  499    HB3  GLU  61           1HB      GLU  61 -10.529  -2.022   0.926
  500    HG2  GLU  61           2HG      GLU  61  -9.791   0.269   1.528
  501    HG3  GLU  61           1HG      GLU  61 -10.765   0.913   0.206
  502    H    ASN  62           H        ASN  62 -10.555  -2.218  -2.681
  503    HA   ASN  62           HA       ASN  62  -9.964  -5.003  -2.267
  504    HB2  ASN  62           2HB      ASN  62 -11.909  -4.225  -3.566
  505    HB3  ASN  62           1HB      ASN  62 -10.825  -3.570  -4.796
  506   HD21  ASN  62          1HD2      ASN  62  -9.816  -5.049  -6.264
  507   HD22  ASN  62          2HD2      ASN  62 -10.188  -6.706  -6.297
  508    H    ASN  63           H        ASN  63  -8.650  -2.647  -4.595
  509    HA   ASN  63           HA       ASN  63  -6.828  -4.402  -5.865
  510    HB2  ASN  63           2HB      ASN  63  -7.501  -2.121  -6.660
  511    HB3  ASN  63           1HB      ASN  63  -6.442  -1.435  -5.428
  512   HD21  ASN  63          1HD2      ASN  63  -4.569  -0.746  -6.469
  513   HD22  ASN  63          2HD2      ASN  63  -3.717  -1.644  -7.630
  514    H    MET  64           H        MET  64  -6.346  -2.340  -2.994
  515    HA   MET  64           HA       MET  64  -3.551  -2.829  -2.740
  516    HB2  MET  64           2HB      MET  64  -5.658  -2.190  -0.664
  517    HB3  MET  64           1HB      MET  64  -3.937  -2.299  -0.287
  518    HG2  MET  64           2HG      MET  64  -3.499  -0.596  -2.076
  519    HG3  MET  64           1HG      MET  64  -5.240  -0.411  -2.262
  520    HE1  MET  64           3HE      MET  64  -5.184   2.523  -1.238
  521    HE2  MET  64           1HE      MET  64  -3.875   1.743  -2.138
  522    HE3  MET  64           2HE      MET  64  -3.524   2.639  -0.660
  523    H    SER  65           H        SER  65  -6.343  -4.696  -1.588
  524    HA   SER  65           HA       SER  65  -4.883  -6.517   0.052
  525    HB2  SER  65           2HB      SER  65  -6.805  -7.981  -0.139
  526    HB3  SER  65           1HB      SER  65  -7.389  -6.321  -0.049
  527    HG   SER  65           HG       SER  65  -8.323  -7.659  -1.751
  528    H    GLU  66           H        GLU  66  -5.672  -6.643  -3.428
  529    HA   GLU  66           HA       GLU  66  -4.391  -9.196  -3.859
  530    HB2  GLU  66           2HB      GLU  66  -6.069  -8.175  -5.418
  531    HB3  GLU  66           1HB      GLU  66  -4.860  -6.973  -5.869
  532    HG2  GLU  66           2HG      GLU  66  -3.338  -8.817  -6.573
  533    HG3  GLU  66           1HG      GLU  66  -4.621  -9.975  -6.217
  534    H    HIS  67           H        HIS  67  -3.325  -5.839  -4.012
  535    HA   HIS  67           HA       HIS  67  -0.790  -6.238  -5.223
  536    HB2  HIS  67           2HB      HIS  67  -1.789  -4.029  -4.878
  537    HB3  HIS  67           1HB      HIS  67  -1.626  -4.209  -3.133
  538    HD1  HIS  67           1HD      HIS  67   0.658  -4.346  -6.188
  539    HD2  HIS  67           2HD      HIS  67   0.743  -3.125  -2.215
  540    HE1  HIS  67           1HE      HIS  67   2.940  -3.326  -5.805
  541    HE2  HIS  67           2HE      HIS  67   3.004  -2.579  -3.385
  542    H    LEU  68           H        LEU  68  -1.695  -6.262  -1.776
  543    HA   LEU  68           HA       LEU  68   0.935  -6.745  -0.790
  544    HB2  LEU  68           2HB      LEU  68  -1.744  -7.533   0.393
  545    HB3  LEU  68           1HB      LEU  68  -0.214  -7.517   1.264
  546    HG   LEU  68           HG       LEU  68  -1.501  -5.112  -0.051
  547   HD11  LEU  68          1HD1      LEU  68  -2.771  -5.481   1.882
  548   HD12  LEU  68          2HD1      LEU  68  -1.504  -4.405   2.464
  549   HD13  LEU  68          3HD1      LEU  68  -1.398  -6.138   2.773
  550   HD21  LEU  68          3HD2      LEU  68   0.373  -4.107   1.590
  551   HD22  LEU  68          1HD2      LEU  68   0.720  -4.519  -0.089
  552   HD23  LEU  68          2HD2      LEU  68   1.148  -5.642   1.202
  553    H    THR  69           H        THR  69  -1.510  -8.937  -2.089
  554    HA   THR  69           HA       THR  69   0.049 -11.283  -1.223
  555    HB   THR  69           HB       THR  69  -2.281 -11.248  -3.156
  556    HG1  THR  69           1HG      THR  69  -2.164 -10.721  -0.476
  557   HG21  THR  69          3HG2      THR  69  -2.564 -13.538  -2.458
  558   HG22  THR  69          1HG2      THR  69  -1.352 -13.356  -1.189
  559   HG23  THR  69          2HG2      THR  69  -0.866 -13.324  -2.884
  560    H    ASN  70           H        ASN  70   1.657 -12.161  -2.419
  561    HA   ASN  70           HA       ASN  70   3.242 -12.269  -4.172
  562    HB2  ASN  70           2HB      ASN  70   0.551 -12.901  -5.363
  563    HB3  ASN  70           1HB      ASN  70   2.003 -12.936  -6.365
  564   HD21  ASN  70          1HD2      ASN  70   2.794 -13.692  -3.144
  565   HD22  ASN  70          2HD2      ASN  70   2.805 -15.383  -3.287
  566    HA   PRO  71           HA       PRO  71   2.073  -7.866  -5.588
  567    HB2  PRO  71           2HB      PRO  71   4.517  -6.841  -4.692
  568    HB3  PRO  71           1HB      PRO  71   2.963  -6.695  -3.857
  569    HG2  PRO  71           2HG      PRO  71   5.215  -8.542  -3.353
  570    HG3  PRO  71           1HG      PRO  71   4.043  -7.843  -2.225
  571    HD2  PRO  71           2HD      PRO  71   3.926 -10.438  -3.039
  572    HD3  PRO  71           1HD      PRO  71   2.480  -9.500  -2.603
  573    H    ALA  72           H        ALA  72   4.786 -10.030  -5.990
  574    HA   ALA  72           HA       ALA  72   6.293  -8.562  -7.903
  575    HB1  ALA  72           1HB      ALA  72   7.388 -10.473  -7.141
  576    HB2  ALA  72           2HB      ALA  72   6.848 -10.997  -8.736
  577    HB3  ALA  72           3HB      ALA  72   5.949 -11.482  -7.298
  578    H    LYS  73           H        LYS  73   3.897 -11.155  -8.564
  579    HA   LYS  73           HA       LYS  73   3.802 -10.684 -11.378
  580    HB2  LYS  73           2HB      LYS  73   1.701 -11.839  -9.518
  581    HB3  LYS  73           1HB      LYS  73   1.632 -11.919 -11.280
  582    HG2  LYS  73           2HG      LYS  73   3.834 -13.098 -11.271
  583    HG3  LYS  73           1HG      LYS  73   3.786 -13.107  -9.508
  584    HD2  LYS  73           2HD      LYS  73   1.617 -14.341  -9.612
  585    HD3  LYS  73           1HD      LYS  73   1.784 -14.419 -11.367
  586    HE2  LYS  73           2HE      LYS  73   4.244 -15.325 -10.450
  587    HE3  LYS  73           1HE      LYS  73   3.099 -16.023  -9.305
  588    HZ1  LYS  73           3HZ      LYS  73   3.525 -16.647 -12.071
  589    HZ2  LYS  73           1HZ      LYS  73   1.890 -16.368 -11.710
  590    HZ3  LYS  73           2HZ      LYS  73   2.757 -17.557 -10.860
  591    H    TYR  74           H        TYR  74   2.070  -9.226  -8.685
  592    HA   TYR  74           HA       TYR  74   0.003  -7.907 -10.088
  593    HB2  TYR  74           2HB      TYR  74   0.085  -7.985  -7.657
  594    HB3  TYR  74           1HB      TYR  74   1.569  -7.034  -7.648
  595    HD1  TYR  74           1HD      TYR  74  -2.077  -6.938  -8.300
  596    HD2  TYR  74           2HD      TYR  74   1.555  -4.676  -8.032
  597    HE1  TYR  74           1HE      TYR  74  -3.388  -4.831  -8.278
  598    HE2  TYR  74           2HE      TYR  74   0.256  -2.573  -8.014
  599    HH   TYR  74           HH       TYR  74  -1.768  -1.682  -7.881
  600    H    ILE  75           H        ILE  75   3.298  -6.682  -9.341
  601    HA   ILE  75           HA       ILE  75   3.186  -5.063 -11.790
  602    HB   ILE  75           HB       ILE  75   2.117  -3.666  -9.983
  603   HG12  ILE  75          2HG1      ILE  75   3.818  -1.714 -10.328
  604   HG13  ILE  75          1HG1      ILE  75   4.636  -2.851 -11.402
  605   HG21  ILE  75          1HG2      ILE  75   4.028  -4.650  -8.336
  606   HG22  ILE  75          2HG2      ILE  75   3.190  -3.127  -8.043
  607   HG23  ILE  75          3HG2      ILE  75   4.778  -3.120  -8.794
  608   HD11  ILE  75          3HD1      ILE  75   3.190  -2.048 -12.971
  609   HD12  ILE  75          1HD1      ILE  75   2.064  -1.440 -11.758
  610   HD13  ILE  75          2HD1      ILE  75   2.038  -3.144 -12.209
  611    HA   PRO  76           HA       PRO  76   7.351  -6.731 -10.722
  612    HB2  PRO  76           2HB      PRO  76   7.905  -7.724 -13.214
  613    HB3  PRO  76           1HB      PRO  76   7.048  -8.637 -11.958
  614    HG2  PRO  76           2HG      PRO  76   6.002  -7.318 -14.379
  615    HG3  PRO  76           1HG      PRO  76   5.400  -8.737 -13.509
  616    HD2  PRO  76           2HD      PRO  76   4.322  -6.155 -13.369
  617    HD3  PRO  76           1HD      PRO  76   3.992  -7.476 -12.227
  618    H    GLY  77           H        GLY  77   9.420  -5.882 -11.290
  619    HA2  GLY  77           2HA      GLY  77  10.910  -4.563 -12.664
  620    HA3  GLY  77           1HA      GLY  77   9.502  -3.854 -13.454
  621    H    THR  78           H        THR  78   8.796  -3.926 -10.226
  622    HA   THR  78           HA       THR  78   9.482  -1.057  -9.960
  623    HB   THR  78           HB       THR  78   7.965  -1.092  -8.025
  624    HG1  THR  78           1HG      THR  78   7.636  -2.913  -7.076
  625   HG21  THR  78          3HG2      THR  78   5.996  -1.252  -9.260
  626   HG22  THR  78          1HG2      THR  78   6.553  -2.665 -10.156
  627   HG23  THR  78          2HG2      THR  78   7.201  -1.071 -10.534
  628    H    LYS  79           H        LYS  79  10.298  -0.338  -7.773
  629    HA   LYS  79           HA       LYS  79  12.555  -2.081  -6.991
  630    HB2  LYS  79           2HB      LYS  79  11.869   0.767  -6.210
  631    HB3  LYS  79           1HB      LYS  79  13.360  -0.076  -5.789
  632    HG2  LYS  79           2HG      LYS  79  13.793  -0.398  -8.241
  633    HG3  LYS  79           1HG      LYS  79  12.388   0.614  -8.575
  634    HD2  LYS  79           2HD      LYS  79  14.767   1.496  -6.915
  635    HD3  LYS  79           1HD      LYS  79  14.547   1.885  -8.621
  636    HE2  LYS  79           2HE      LYS  79  12.229   2.809  -7.883
  637    HE3  LYS  79           1HE      LYS  79  12.915   2.802  -6.257
  638    HZ1  LYS  79           3HZ      LYS  79  13.248   4.738  -8.181
  639    HZ2  LYS  79           1HZ      LYS  79  14.733   3.918  -8.132
  640    HZ3  LYS  79           2HZ      LYS  79  14.093   4.603  -6.714
  641    H    MET  80           H        MET  80   9.517  -2.249  -6.092
  642    HA   MET  80           HA       MET  80   9.732  -1.866  -3.202
  643    HB2  MET  80           2HB      MET  80   7.624  -3.234  -4.899
  644    HB3  MET  80           1HB      MET  80   7.493  -2.995  -3.156
  645    HG2  MET  80           2HG      MET  80   8.129  -0.468  -3.982
  646    HG3  MET  80           1HG      MET  80   7.183  -1.047  -5.354
  647    HE1  MET  80           3HE      MET  80   3.693  -1.238  -4.323
  648    HE2  MET  80           1HE      MET  80   4.852  -2.421  -4.947
  649    HE3  MET  80           2HE      MET  80   4.881  -0.759  -5.532
  650    H    ALA  81           H        ALA  81  10.285  -3.363  -1.699
  651    HA   ALA  81           HA       ALA  81  10.910  -6.122  -2.672
  652    HB1  ALA  81           1HB      ALA  81  12.697  -4.451  -1.614
  653    HB2  ALA  81           2HB      ALA  81  12.740  -6.177  -1.254
  654    HB3  ALA  81           3HB      ALA  81  12.012  -5.054  -0.106
  655    H    PHE  82           H        PHE  82   8.307  -5.017  -1.662
  656    HA   PHE  82           HA       PHE  82   7.925  -6.140   1.004
  657    HB2  PHE  82           2HB      PHE  82   6.593  -4.220   0.000
  658    HB3  PHE  82           1HB      PHE  82   5.798  -5.410  -1.028
  659    HD1  PHE  82           2HD      PHE  82   6.297  -4.281   2.459
  660    HD2  PHE  82           1HD      PHE  82   4.172  -6.963  -0.133
  661    HE1  PHE  82           2HE      PHE  82   4.717  -4.807   4.296
  662    HE2  PHE  82           1HE      PHE  82   2.591  -7.488   1.702
  663    HZ   PHE  82           HZ       PHE  82   2.862  -6.408   3.917
  664    H    GLY  83           H        GLY  83   7.393  -8.235   1.465
  665    HA2  GLY  83           2HA      GLY  83   7.119 -10.118  -0.792
  666    HA3  GLY  83           1HA      GLY  83   7.341 -10.560   0.900
  667    H    GLY  84           H        GLY  84   5.466 -12.023  -0.173
  668    HA2  GLY  84           2HA      GLY  84   2.837 -10.725  -0.084
  669    HA3  GLY  84           1HA      GLY  84   3.135 -12.434  -0.393
  670    H    LEU  85           H        LEU  85   1.270 -11.071   1.564
  671    HA   LEU  85           HA       LEU  85   2.433 -11.962   4.149
  672    HB2  LEU  85           2HB      LEU  85  -0.227 -10.613   3.592
  673    HB3  LEU  85           1HB      LEU  85   0.509 -10.861   5.175
  674    HG   LEU  85           HG       LEU  85   1.621  -9.155   2.928
  675   HD11  LEU  85          1HD1      LEU  85   1.366  -7.642   5.241
  676   HD12  LEU  85          2HD1      LEU  85  -0.081  -8.649   5.256
  677   HD13  LEU  85          3HD1      LEU  85   0.258  -7.614   3.870
  678   HD21  LEU  85          3HD2      LEU  85   3.192  -8.531   4.969
  679   HD22  LEU  85          1HD2      LEU  85   3.557  -9.933   3.964
  680   HD23  LEU  85          2HD2      LEU  85   2.759 -10.148   5.522
  681    H    LYS  86           H        LYS  86   2.078 -14.035   4.731
  682    HA   LYS  86           HA       LYS  86   0.241 -15.769   3.381
  683    HB2  LYS  86           2HB      LYS  86   2.278 -16.536   4.606
  684    HB3  LYS  86           1HB      LYS  86   1.476 -16.140   6.126
  685    HG2  LYS  86           2HG      LYS  86  -0.319 -17.733   5.627
  686    HG3  LYS  86           1HG      LYS  86   0.412 -18.091   4.063
  687    HD2  LYS  86           2HD      LYS  86   1.055 -19.836   5.625
  688    HD3  LYS  86           1HD      LYS  86   2.476 -18.858   5.260
  689    HE2  LYS  86           2HE      LYS  86   0.911 -17.850   7.538
  690    HE3  LYS  86           1HE      LYS  86   1.587 -19.457   7.800
  691    HZ1  LYS  86           3HZ      LYS  86   3.550 -17.924   6.564
  692    HZ2  LYS  86           1HZ      LYS  86   3.539 -18.512   8.156
  693    HZ3  LYS  86           2HZ      LYS  86   2.905 -16.973   7.816
  694    H    LYS  87           H        LYS  87  -0.002 -13.957   6.436
  695    HA   LYS  87           HA       LYS  87  -2.644 -15.114   6.987
  696    HB2  LYS  87           2HB      LYS  87  -1.065 -12.937   8.377
  697    HB3  LYS  87           1HB      LYS  87  -2.616 -13.556   8.942
  698    HG2  LYS  87           2HG      LYS  87  -1.604 -15.855   8.998
  699    HG3  LYS  87           1HG      LYS  87  -0.044 -15.122   8.623
  700    HD2  LYS  87           2HD      LYS  87  -0.283 -13.682  10.649
  701    HD3  LYS  87           1HD      LYS  87  -1.766 -14.550  11.047
  702    HE2  LYS  87           2HE      LYS  87  -0.006 -15.593  12.306
  703    HE3  LYS  87           1HE      LYS  87  -0.401 -16.691  10.983
  704    HZ1  LYS  87           3HZ      LYS  87   1.992 -16.387  11.236
  705    HZ2  LYS  87           1HZ      LYS  87   1.820 -14.720  10.967
  706    HZ3  LYS  87           2HZ      LYS  87   1.451 -15.822   9.728
  707    H    GLU  88           H        GLU  88  -4.525 -14.259   6.339
  708    HA   GLU  88           HA       GLU  88  -4.578 -11.874   4.676
  709    HB2  GLU  88           2HB      GLU  88  -6.809 -13.598   5.796
  710    HB3  GLU  88           1HB      GLU  88  -7.040 -12.300   4.622
  711    HG2  GLU  88           2HG      GLU  88  -5.484 -13.457   3.066
  712    HG3  GLU  88           1HG      GLU  88  -5.334 -14.777   4.228
  713    H    LYS  89           H        LYS  89  -5.288 -12.610   8.039
  714    HA   LYS  89           HA       LYS  89  -6.912 -10.405   8.708
  715    HB2  LYS  89           2HB      LYS  89  -4.748 -11.750  10.351
  716    HB3  LYS  89           1HB      LYS  89  -5.956 -10.644  11.004
  717    HG2  LYS  89           2HG      LYS  89  -7.747 -12.156  10.141
  718    HG3  LYS  89           1HG      LYS  89  -6.498 -13.290   9.629
  719    HD2  LYS  89           2HD      LYS  89  -5.686 -13.398  11.989
  720    HD3  LYS  89           1HD      LYS  89  -7.035 -12.367  12.466
  721    HE2  LYS  89           2HE      LYS  89  -7.476 -14.823  12.789
  722    HE3  LYS  89           1HE      LYS  89  -8.643 -14.022  11.736
  723    HZ1  LYS  89           3HZ      LYS  89  -8.059 -15.324  10.060
  724    HZ2  LYS  89           1HZ      LYS  89  -7.102 -16.224  11.132
  725    HZ3  LYS  89           2HZ      LYS  89  -6.413 -14.946  10.249
  726    H    ASP  90           H        ASP  90  -3.326 -10.575   8.675
  727    HA   ASP  90           HA       ASP  90  -2.939  -7.861   9.494
  728    HB2  ASP  90           2HB      ASP  90  -1.193  -9.678   7.801
  729    HB3  ASP  90           1HB      ASP  90  -0.674  -8.137   8.473
  730    H    ARG  91           H        ARG  91  -3.353  -9.392   6.335
  731    HA   ARG  91           HA       ARG  91  -2.808  -7.129   4.701
  732    HB2  ARG  91           2HB      ARG  91  -3.075  -9.476   3.885
  733    HB3  ARG  91           1HB      ARG  91  -4.808  -9.351   4.191
  734    HG2  ARG  91           2HG      ARG  91  -4.869  -7.368   2.647
  735    HG3  ARG  91           1HG      ARG  91  -3.181  -7.692   2.248
  736    HD2  ARG  91           2HD      ARG  91  -5.489  -9.619   1.863
  737    HD3  ARG  91           1HD      ARG  91  -4.667  -8.728   0.583
  738    HE   ARG  91           HE       ARG  91  -2.582 -10.057   1.693
  739   HH11  ARG  91          1HH2      ARG  91  -5.786 -11.020   0.852
  740   HH12  ARG  91          2HH2      ARG  91  -5.348 -12.665   0.528
  741   HH21  ARG  91          1HH1      ARG  91  -1.994 -12.197   1.274
  742   HH22  ARG  91          2HH1      ARG  91  -3.202 -13.330   0.766
  743    H    ASN  92           H        ASN  92  -5.885  -8.271   6.118
  744    HA   ASN  92           HA       ASN  92  -7.487  -6.187   4.965
  745    HB2  ASN  92           2HB      ASN  92  -8.375  -8.322   5.940
  746    HB3  ASN  92           1HB      ASN  92  -8.006  -7.687   7.545
  747   HD21  ASN  92          1HD2      ASN  92  -9.874  -6.858   4.579
  748   HD22  ASN  92          2HD2      ASN  92 -11.084  -5.997   5.402
  749    H    ASP  93           H        ASP  93  -6.039  -6.496   8.232
  750    HA   ASP  93           HA       ASP  93  -6.978  -3.951   9.144
  751    HB2  ASP  93           2HB      ASP  93  -6.050  -5.867  10.556
  752    HB3  ASP  93           1HB      ASP  93  -4.445  -5.309  10.081
  753    H    LEU  94           H        LEU  94  -3.993  -4.936   7.491
  754    HA   LEU  94           HA       LEU  94  -2.535  -2.545   7.758
  755    HB2  LEU  94           2HB      LEU  94  -1.571  -4.552   6.743
  756    HB3  LEU  94           1HB      LEU  94  -2.678  -4.418   5.377
  757    HG   LEU  94           HG       LEU  94  -1.682  -2.283   4.731
  758   HD11  LEU  94          1HD1      LEU  94   0.554  -1.784   6.065
  759   HD12  LEU  94          2HD1      LEU  94  -0.290  -2.633   7.359
  760   HD13  LEU  94          3HD1      LEU  94  -0.995  -1.180   6.651
  761   HD21  LEU  94          3HD2      LEU  94  -0.496  -4.744   4.480
  762   HD22  LEU  94          1HD2      LEU  94   0.806  -3.796   5.199
  763   HD23  LEU  94          2HD2      LEU  94   0.072  -3.277   3.683
  764    H    ILE  95           H        ILE  95  -4.935  -3.382   5.232
  765    HA   ILE  95           HA       ILE  95  -4.717  -0.836   3.899
  766    HB   ILE  95           HB       ILE  95  -7.069  -2.739   3.919
  767   HG12  ILE  95          2HG1      ILE  95  -4.695  -2.620   2.033
  768   HG13  ILE  95          1HG1      ILE  95  -4.898  -3.826   3.305
  769   HG21  ILE  95          1HG2      ILE  95  -6.453  -1.288   1.464
  770   HG22  ILE  95          2HG2      ILE  95  -6.787  -0.195   2.808
  771   HG23  ILE  95          3HG2      ILE  95  -7.981  -1.405   2.338
  772   HD11  ILE  95          3HD1      ILE  95  -6.924  -4.664   2.273
  773   HD12  ILE  95          1HD1      ILE  95  -5.664  -4.609   1.039
  774   HD13  ILE  95          2HD1      ILE  95  -6.908  -3.359   1.085
  775    H    THR  96           H        THR  96  -6.878  -2.099   6.408
  776    HA   THR  96           HA       THR  96  -8.649   0.101   6.579
  777    HB   THR  96           HB       THR  96  -7.687  -1.638   8.865
  778    HG1  THR  96           1HG      THR  96  -9.035  -3.126   8.148
  779   HG21  THR  96          3HG2      THR  96  -8.989   0.321   9.566
  780   HG22  THR  96          1HG2      THR  96  -9.937  -1.151   9.780
  781   HG23  THR  96          2HG2      THR  96 -10.253  -0.091   8.406
  782    H    TYR  97           H        TYR  97  -5.509  -0.449   8.209
  783    HA   TYR  97           HA       TYR  97  -5.613   1.877   9.855
  784    HB2  TYR  97           2HB      TYR  97  -3.914   0.085  10.119
  785    HB3  TYR  97           1HB      TYR  97  -3.164   0.594   8.604
  786    HD1  TYR  97           1HD      TYR  97  -3.990   1.673  12.064
  787    HD2  TYR  97           2HD      TYR  97  -1.747   2.517   8.500
  788    HE1  TYR  97           1HE      TYR  97  -2.710   3.414  13.281
  789    HE2  TYR  97           2HE      TYR  97  -0.466   4.257   9.717
  790    HH   TYR  97           HH       TYR  97  -1.239   5.083  13.089
  791    H    LEU  98           H        LEU  98  -4.197   1.426   6.594
  792    HA   LEU  98           HA       LEU  98  -3.549   4.226   6.282
  793    HB2  LEU  98           2HB      LEU  98  -3.988   2.041   4.221
  794    HB3  LEU  98           1HB      LEU  98  -3.374   3.650   3.845
  795    HG   LEU  98           HG       LEU  98  -2.073   1.670   5.740
  796   HD11  LEU  98          1HD1      LEU  98  -0.556   2.558   3.413
  797   HD12  LEU  98          2HD1      LEU  98  -2.053   1.748   2.944
  798   HD13  LEU  98          3HD1      LEU  98  -0.883   0.917   3.972
  799   HD21  LEU  98          3HD2      LEU  98  -1.298   3.671   6.575
  800   HD22  LEU  98          1HD2      LEU  98  -1.637   4.543   5.081
  801   HD23  LEU  98          2HD2      LEU  98  -0.194   3.538   5.207
  802    H    LYS  99           H        LYS  99  -6.380   2.253   5.667
  803    HA   LYS  99           HA       LYS  99  -7.854   3.968   3.991
  804    HB2  LYS  99           2HB      LYS  99  -8.560   1.668   4.720
  805    HB3  LYS  99           1HB      LYS  99  -8.952   2.338   6.302
  806    HG2  LYS  99           2HG      LYS  99 -10.505   3.946   5.162
  807    HG3  LYS  99           1HG      LYS  99 -10.210   3.077   3.657
  808    HD2  LYS  99           2HD      LYS  99 -11.058   1.005   4.655
  809    HD3  LYS  99           1HD      LYS  99 -11.310   1.833   6.192
  810    HE2  LYS  99           2HE      LYS  99 -12.571   2.982   3.732
  811    HE3  LYS  99           1HE      LYS  99 -13.305   1.556   4.465
  812    HZ1  LYS  99           3HZ      LYS  99 -14.083   3.816   5.278
  813    HZ2  LYS  99           1HZ      LYS  99 -12.588   3.934   6.068
  814    HZ3  LYS  99           2HZ      LYS  99 -13.656   2.675   6.464
  815    H    LYS 100           H        LYS 100  -7.563   3.971   7.543
  816    HA   LYS 100           HA       LYS 100  -9.361   6.132   8.045
  817    HB2  LYS 100           2HB      LYS 100  -6.885   5.241   9.550
  818    HB3  LYS 100           1HB      LYS 100  -8.079   6.380  10.175
  819    HG2  LYS 100           2HG      LYS 100  -9.836   4.647   9.935
  820    HG3  LYS 100           1HG      LYS 100  -8.612   3.506   9.370
  821    HD2  LYS 100           2HD      LYS 100  -7.394   3.732  11.486
  822    HD3  LYS 100           1HD      LYS 100  -8.577   4.907  12.051
  823    HE2  LYS 100           2HE      LYS 100 -10.293   2.969  11.486
  824    HE3  LYS 100           1HE      LYS 100  -8.869   1.948  11.684
  825    HZ1  LYS 100           3HZ      LYS 100 -10.417   2.714  13.701
  826    HZ2  LYS 100           1HZ      LYS 100  -9.278   3.971  13.726
  827    HZ3  LYS 100           2HZ      LYS 100  -8.765   2.358  13.876
  828    H    ALA 101           H        ALA 101  -5.876   6.049   7.437
  829    HA   ALA 101           HA       ALA 101  -5.357   8.824   7.778
  830    HB1  ALA 101           1HB      ALA 101  -4.023   6.695   6.098
  831    HB2  ALA 101           2HB      ALA 101  -3.476   7.375   7.631
  832    HB3  ALA 101           3HB      ALA 101  -3.419   8.351   6.163
  833    H    THR 102           H        THR 102  -6.866   7.086   5.151
  834    HA   THR 102           HA       THR 102  -6.461   8.808   2.985
  835    HB   THR 102           HB       THR 102  -7.931   6.622   3.242
  836    HG1  THR 102           1HG      THR 102  -7.441   7.718   1.293
  837   HG21  THR 102          3HG2      THR 102 -10.080   8.750   3.290
  838   HG22  THR 102          1HG2      THR 102  -9.570   7.883   4.740
  839   HG23  THR 102          2HG2      THR 102 -10.282   7.001   3.390
  840    H    GLU 103           H        GLU 103  -8.715   9.199   5.703
  841    HA   GLU 103           HA       GLU 103 -10.036  11.532   4.705
  842    HB2  GLU 103           2HB      GLU 103 -10.817  10.159   6.651
  843    HB3  GLU 103           1HB      GLU 103  -9.488  10.822   7.602
  844    HG2  GLU 103           2HG      GLU 103 -10.357  13.116   7.155
  845    HG3  GLU 103           1HG      GLU 103 -11.732  12.401   6.311
  846    HHA  HEC 201           HA       HEC 104   4.999   3.200  -6.104
  847    HHB  HEC 201           HB       HEC 104   1.160   0.490  -1.877
  848    HHC  HEC 201           HC       HEC 104   6.152  -0.874   1.761
  849    HHD  HEC 201           HD       HEC 104   9.983   1.804  -2.497
  850   HMA1  HEC 201          1HMA      HEC 104  -0.088   1.018  -4.279
  851   HMA2  HEC 201          2HMA      HEC 104   0.060   2.707  -4.758
  852   HMA3  HEC 201          3HMA      HEC 104   0.084   2.271  -3.050
  853   HAA1  HEC 201          1HAA      HEC 104   2.934   1.958  -7.107
  854   HAA2  HEC 201          2HAA      HEC 104   1.280   2.289  -6.626
  855   HBA1  HEC 201          1HBA      HEC 104   2.847   4.096  -7.886
  856   HBA2  HEC 201          2HBA      HEC 104   3.189   4.514  -6.207
  857   HMB1  HEC 201          1HMB      HEC 104   1.278  -2.189   0.765
  858   HMB2  HEC 201          2HMB      HEC 104   0.455  -0.632   0.775
  859   HMB3  HEC 201          3HMB      HEC 104   0.835  -1.424  -0.747
  860    HAB  HEC 201           HAB      HEC 104   4.360  -1.630   2.813
  861   HBB1  HEC 201          1HBB      HEC 104   2.274  -1.644   4.160
  862   HBB2  HEC 201          2HBB      HEC 104   2.166  -2.657   2.727
  863   HBB3  HEC 201          3HBB      HEC 104   1.389  -1.072   2.755
  864   HMC1  HEC 201          1HMC      HEC 104   9.965  -1.030   1.826
  865   HMC2  HEC 201          2HMC      HEC 104   8.679  -2.116   1.298
  866   HMC3  HEC 201          3HMC      HEC 104   8.377  -0.953   2.589
  867    HAC  HEC 201           HAC      HEC 104  10.968   1.783  -0.533
  868   HBC1  HEC 201          1HBC      HEC 104  12.494   0.138  -0.706
  869   HBC2  HEC 201          2HBC      HEC 104  12.100  -0.432   0.915
  870   HBC3  HEC 201          3HBC      HEC 104  11.200  -1.038  -0.474
  871   HMD1  HEC 201          1HMD      HEC 104  10.587   3.560  -4.785
  872   HMD2  HEC 201          2HMD      HEC 104  10.035   2.643  -6.186
  873   HMD3  HEC 201          3HMD      HEC 104  10.515   1.801  -4.713
  874   HAD1  HEC 201          1HAD      HEC 104   8.436   4.758  -6.363
  875   HAD2  HEC 201          2HAD      HEC 104   6.681   4.721  -6.398
  876   HBD1  HEC 201          1HBD      HEC 104   8.391   3.876  -8.427
  877   HBD2  HEC 201          2HBD      HEC 104   7.824   2.378  -7.688
  Start of MODEL    9
    1    H1   THR  -5           1HT      THR  -5 -20.409  -6.775   0.962
    2    H2   THR  -5           2HT      THR  -5 -19.532  -7.999   0.176
    3    H3   THR  -5           3HT      THR  -5 -18.871  -6.442   0.332
    4    HA   THR  -5           HA       THR  -5 -18.881  -6.719   2.774
    5    HB   THR  -5           HB       THR  -5 -19.137  -9.659   2.406
    6    HG1  THR  -5           1HG      THR  -5 -20.913  -8.619   1.241
    7   HG21  THR  -5          1HG2      THR  -5 -19.735  -9.602   4.647
    8   HG22  THR  -5          2HG2      THR  -5 -20.466  -8.002   4.516
    9   HG23  THR  -5          3HG2      THR  -5 -18.711  -8.170   4.548
   10    H    GLU  -4           H        GLU  -4 -17.260  -6.868   0.211
   11    HA   GLU  -4           HA       GLU  -4 -15.274  -8.903   0.443
   12    HB2  GLU  -4           2HB      GLU  -4 -15.080  -6.099  -0.698
   13    HB3  GLU  -4           1HB      GLU  -4 -13.860  -7.354  -0.920
   14    HG2  GLU  -4           2HG      GLU  -4 -16.766  -7.591  -1.759
   15    HG3  GLU  -4           1HG      GLU  -4 -15.426  -7.228  -2.847
   16    H    PHE  -3           H        PHE  -3 -15.633  -5.764   2.011
   17    HA   PHE  -3           HA       PHE  -3 -13.021  -6.156   3.386
   18    HB2  PHE  -3           2HB      PHE  -3 -13.520  -3.931   2.363
   19    HB3  PHE  -3           1HB      PHE  -3 -14.898  -3.771   3.452
   20    HD1  PHE  -3           1HD      PHE  -3 -11.223  -3.822   3.206
   21    HD2  PHE  -3           2HD      PHE  -3 -14.585  -3.436   5.854
   22    HE1  PHE  -3           1HE      PHE  -3  -9.722  -2.971   4.989
   23    HE2  PHE  -3           2HE      PHE  -3 -13.081  -2.586   7.635
   24    HZ   PHE  -3           HZ       PHE  -3 -10.653  -2.353   7.202
   25    H    LYS  -2           H        LYS  -2 -12.968  -6.803   5.495
   26    HA   LYS  -2           HA       LYS  -2 -15.574  -6.953   6.951
   27    HB2  LYS  -2           2HB      LYS  -2 -14.575  -8.790   8.224
   28    HB3  LYS  -2           1HB      LYS  -2 -14.457  -9.129   6.496
   29    HG2  LYS  -2           2HG      LYS  -2 -12.133  -8.186   6.529
   30    HG3  LYS  -2           1HG      LYS  -2 -12.264  -8.041   8.283
   31    HD2  LYS  -2           2HD      LYS  -2 -12.557 -10.620   6.716
   32    HD3  LYS  -2           1HD      LYS  -2 -11.129 -10.143   7.636
   33    HE2  LYS  -2           2HE      LYS  -2 -12.974  -9.816   9.555
   34    HE3  LYS  -2           1HE      LYS  -2 -13.791 -11.059   8.607
   35    HZ1  LYS  -2           3HZ      LYS  -2 -12.103 -11.713  10.456
   36    HZ2  LYS  -2           1HZ      LYS  -2 -10.949 -11.399   9.255
   37    HZ3  LYS  -2           2HZ      LYS  -2 -12.145 -12.576   8.995
   38    H    ALA  -1           H        ALA  -1 -15.397  -6.618   9.337
   39    HA   ALA  -1           HA       ALA  -1 -14.210  -4.167  10.023
   40    HB1  ALA  -1           1HB      ALA  -1 -15.183  -4.532  12.035
   41    HB2  ALA  -1           2HB      ALA  -1 -14.304  -6.042  12.273
   42    HB3  ALA  -1           3HB      ALA  -1 -15.794  -6.029  11.328
   43    H    GLY   1           H        GLY   1 -12.056  -3.753   9.812
   44    HA2  GLY   1           2HA      GLY   1 -10.112  -5.881  10.529
   45    HA3  GLY   1           1HA      GLY   1  -9.734  -4.413   9.627
   46    H    SER   2           H        SER   2  -9.108  -5.810  12.485
   47    HA   SER   2           HA       SER   2  -9.670  -3.810  14.439
   48    HB2  SER   2           2HB      SER   2  -7.969  -4.885  15.788
   49    HB3  SER   2           1HB      SER   2  -8.844  -6.141  14.916
   50    HG   SER   2           HG       SER   2  -6.238  -5.524  14.838
   51    H    ALA   3           H        ALA   3  -7.226  -4.038  11.954
   52    HA   ALA   3           HA       ALA   3  -5.704  -2.430  11.184
   53    HB1  ALA   3           1HB      ALA   3  -6.546  -0.342  11.247
   54    HB2  ALA   3           2HB      ALA   3  -6.364  -0.263  13.000
   55    HB3  ALA   3           3HB      ALA   3  -7.821  -0.964  12.295
   56    H    LYS   4           H        LYS   4  -6.031  -3.130  14.575
   57    HA   LYS   4           HA       LYS   4  -3.753  -1.774  15.592
   58    HB2  LYS   4           2HB      LYS   4  -5.449  -2.983  16.983
   59    HB3  LYS   4           1HB      LYS   4  -4.765  -4.510  16.424
   60    HG2  LYS   4           2HG      LYS   4  -2.560  -3.839  17.350
   61    HG3  LYS   4           1HG      LYS   4  -3.289  -2.355  17.963
   62    HD2  LYS   4           2HD      LYS   4  -4.906  -3.750  19.271
   63    HD3  LYS   4           1HD      LYS   4  -4.027  -5.186  18.747
   64    HE2  LYS   4           2HE      LYS   4  -1.973  -3.659  19.675
   65    HE3  LYS   4           1HE      LYS   4  -3.274  -3.141  20.749
   66    HZ1  LYS   4           3HZ      LYS   4  -3.489  -5.205  21.645
   67    HZ2  LYS   4           1HZ      LYS   4  -1.835  -5.256  21.270
   68    HZ3  LYS   4           2HZ      LYS   4  -2.960  -6.006  20.243
   69    H    LYS   5           H        LYS   5  -3.999  -5.114  14.311
   70    HA   LYS   5           HA       LYS   5  -1.175  -5.624  14.459
   71    HB2  LYS   5           2HB      LYS   5  -3.309  -6.847  12.681
   72    HB3  LYS   5           1HB      LYS   5  -1.675  -7.484  12.870
   73    HG2  LYS   5           2HG      LYS   5  -2.088  -7.698  15.324
   74    HG3  LYS   5           1HG      LYS   5  -3.752  -7.182  15.057
   75    HD2  LYS   5           2HD      LYS   5  -4.050  -9.099  13.483
   76    HD3  LYS   5           1HD      LYS   5  -2.423  -9.645  13.892
   77    HE2  LYS   5           2HE      LYS   5  -3.104 -10.528  15.860
   78    HE3  LYS   5           1HE      LYS   5  -4.063  -9.101  16.258
   79    HZ1  LYS   5           3HZ      LYS   5  -5.587 -10.843  15.997
   80    HZ2  LYS   5           1HZ      LYS   5  -4.841 -11.416  14.587
   81    HZ3  LYS   5           2HZ      LYS   5  -5.697  -9.950  14.558
   82    H    GLY   6           H        GLY   6  -3.285  -4.425  11.868
   83    HA2  GLY   6           2HA      GLY   6  -1.312  -4.303   9.818
   84    HA3  GLY   6           1HA      GLY   6  -2.774  -3.320   9.868
   85    H    ALA   7           H        ALA   7  -2.146  -2.051  12.416
   86    HA   ALA   7           HA       ALA   7  -0.694   0.203  11.482
   87    HB1  ALA   7           1HB      ALA   7  -1.751   0.932  13.345
   88    HB2  ALA   7           2HB      ALA   7  -0.387   0.262  14.240
   89    HB3  ALA   7           3HB      ALA   7  -1.850  -0.698  14.014
   90    H    THR   8           H        THR   8   0.378  -2.475  13.595
   91    HA   THR   8           HA       THR   8   3.109  -1.491  13.684
   92    HB   THR   8           HB       THR   8   3.595  -3.586  14.823
   93    HG1  THR   8           1HG      THR   8   2.547  -5.270  14.196
   94   HG21  THR   8          3HG2      THR   8   1.903  -3.485  16.624
   95   HG22  THR   8          1HG2      THR   8   0.865  -2.518  15.576
   96   HG23  THR   8          2HG2      THR   8   2.414  -1.873  16.122
   97    H    LEU   9           H        LEU   9   1.361  -3.938  11.777
   98    HA   LEU   9           HA       LEU   9   3.618  -5.063  10.450
   99    HB2  LEU   9           2HB      LEU   9   1.247  -5.927  10.320
  100    HB3  LEU   9           1HB      LEU   9   0.877  -4.580   9.245
  101    HG   LEU   9           HG       LEU   9   2.979  -5.461   7.914
  102   HD11  LEU   9          1HD1      LEU   9   3.101  -7.952   8.052
  103   HD12  LEU   9          2HD1      LEU   9   2.035  -7.895   9.455
  104   HD13  LEU   9          3HD1      LEU   9   3.637  -7.161   9.534
  105   HD21  LEU   9          3HD2      LEU   9   1.419  -7.020   6.664
  106   HD22  LEU   9          1HD2      LEU   9   0.781  -5.397   6.927
  107   HD23  LEU   9          2HD2      LEU   9   0.230  -6.733   7.936
  108    H    PHE  10           H        PHE  10   1.616  -2.241   9.743
  109    HA   PHE  10           HA       PHE  10   2.892  -1.483   7.292
  110    HB2  PHE  10           2HB      PHE  10   0.701  -0.589   8.137
  111    HB3  PHE  10           1HB      PHE  10   1.584   0.299   9.375
  112    HD1  PHE  10           2HD      PHE  10   1.044  -0.042   5.718
  113    HD2  PHE  10           1HD      PHE  10   2.792   2.298   8.867
  114    HE1  PHE  10           2HE      PHE  10   1.470   1.801   4.113
  115    HE2  PHE  10           1HE      PHE  10   3.208   4.139   7.263
  116    HZ   PHE  10           HZ       PHE  10   2.558   3.893   4.893
  117    H    LYS  11           H        LYS  11   3.414  -0.539  10.673
  118    HA   LYS  11           HA       LYS  11   5.556   1.285  10.221
  119    HB2  LYS  11           2HB      LYS  11   4.228   0.977  12.365
  120    HB3  LYS  11           1HB      LYS  11   5.188  -0.473  12.656
  121    HG2  LYS  11           2HG      LYS  11   7.260   0.885  12.534
  122    HG3  LYS  11           1HG      LYS  11   6.281   2.335  12.309
  123    HD2  LYS  11           2HD      LYS  11   5.147   1.836  14.491
  124    HD3  LYS  11           1HD      LYS  11   6.282   0.508  14.727
  125    HE2  LYS  11           2HE      LYS  11   8.157   2.002  14.778
  126    HE3  LYS  11           1HE      LYS  11   7.171   3.357  14.227
  127    HZ1  LYS  11           3HZ      LYS  11   5.812   2.795  16.356
  128    HZ2  LYS  11           1HZ      LYS  11   7.227   3.722  16.471
  129    HZ3  LYS  11           2HZ      LYS  11   7.261   2.071  16.866
  130    H    THR  12           H        THR  12   5.521  -2.213  10.763
  131    HA   THR  12           HA       THR  12   8.385  -2.469  10.966
  132    HB   THR  12           HB       THR  12   7.980  -4.866  10.813
  133    HG1  THR  12           1HG      THR  12   5.332  -4.127  10.123
  134   HG21  THR  12          3HG2      THR  12   7.298  -4.660  12.943
  135   HG22  THR  12          1HG2      THR  12   5.639  -4.529  12.358
  136   HG23  THR  12          2HG2      THR  12   6.606  -3.074  12.603
  137    H    ARG  13           H        ARG  13   6.176  -2.513   8.188
  138    HA   ARG  13           HA       ARG  13   8.580  -2.601   6.461
  139    HB2  ARG  13           2HB      ARG  13   6.277  -4.551   6.256
  140    HB3  ARG  13           1HB      ARG  13   7.502  -4.340   5.007
  141    HG2  ARG  13           2HG      ARG  13   9.258  -4.887   6.704
  142    HG3  ARG  13           1HG      ARG  13   7.977  -5.219   7.870
  143    HD2  ARG  13           2HD      ARG  13   8.625  -7.328   6.896
  144    HD3  ARG  13           1HD      ARG  13   7.043  -6.905   6.240
  145    HE   ARG  13           HE       ARG  13   8.044  -6.705   4.112
  146   HH11  ARG  13          1HH2      ARG  13  10.368  -6.641   6.659
  147   HH12  ARG  13          2HH2      ARG  13  11.733  -6.685   5.593
  148   HH21  ARG  13          1HH1      ARG  13   9.813  -6.766   2.707
  149   HH22  ARG  13          2HH1      ARG  13  11.419  -6.757   3.357
  150    H    CYS  14           H        CYS  14   7.167  -0.277   6.731
  151    HA   CYS  14           HA       CYS  14   6.290   0.198   4.039
  152    HB2  CYS  14           2HB      CYS  14   4.336  -1.090   5.268
  153    HB3  CYS  14           1HB      CYS  14   4.001   0.507   5.932
  154    H    LEU  15           H        LEU  15   5.688   1.366   7.370
  155    HA   LEU  15           HA       LEU  15   5.407   4.103   6.723
  156    HB2  LEU  15           2HB      LEU  15   4.957   3.106   8.972
  157    HB3  LEU  15           1HB      LEU  15   6.696   2.970   9.219
  158    HG   LEU  15           HG       LEU  15   6.772   5.512   8.716
  159   HD11  LEU  15          1HD1      LEU  15   4.609   6.634   9.443
  160   HD12  LEU  15          2HD1      LEU  15   3.822   5.070   9.238
  161   HD13  LEU  15          3HD1      LEU  15   4.561   5.876   7.853
  162   HD21  LEU  15          3HD2      LEU  15   5.357   4.573  11.225
  163   HD22  LEU  15          1HD2      LEU  15   6.349   6.022  11.053
  164   HD23  LEU  15          2HD2      LEU  15   7.093   4.426  10.950
  165    H    GLN  16           H        GLN  16   8.349   2.203   7.270
  166    HA   GLN  16           HA       GLN  16  10.205   4.334   7.384
  167    HB2  GLN  16           2HB      GLN  16  10.521   1.574   6.167
  168    HB3  GLN  16           1HB      GLN  16  11.857   2.671   6.519
  169    HG2  GLN  16           2HG      GLN  16  11.245   2.681   8.897
  170    HG3  GLN  16           1HG      GLN  16   9.879   1.615   8.561
  171   HE21  GLN  16          1HE2      GLN  16  11.932   0.793  10.358
  172   HE22  GLN  16          2HE2      GLN  16  12.797  -0.484   9.649
  173    H    CYS  17           H        CYS  17   8.643   2.816   4.599
  174    HA   CYS  17           HA       CYS  17  10.201   4.562   2.770
  175    HB2  CYS  17           2HB      CYS  17   8.263   2.295   2.257
  176    HB3  CYS  17           1HB      CYS  17   9.048   3.234   0.987
  177    H    HIS  18           H        HIS  18   6.810   3.857   3.640
  178    HA   HIS  18           HA       HIS  18   5.994   6.268   2.089
  179    HB2  HIS  18           2HB      HIS  18   4.469   3.880   3.149
  180    HB3  HIS  18           1HB      HIS  18   3.662   5.311   2.495
  181    HD1  HIS  18           1HD      HIS  18   4.365   5.926  -0.072
  182    HD2  HIS  18           2HD      HIS  18   5.329   2.093   1.244
  183    HE1  HIS  18           1HE      HIS  18   4.776   4.532  -2.155
  184    H    THR  19           H        THR  19   5.414   8.091   3.162
  185    HA   THR  19           HA       THR  19   5.238   7.978   6.119
  186    HB   THR  19           HB       THR  19   5.450  10.398   6.042
  187    HG1  THR  19           1HG      THR  19   4.873   9.951   3.333
  188   HG21  THR  19          3HG2      THR  19   7.590  10.603   4.769
  189   HG22  THR  19          1HG2      THR  19   7.280   9.018   4.061
  190   HG23  THR  19          2HG2      THR  19   7.538   9.172   5.798
  191    H    VAL  20           H        VAL  20   3.196   8.116   3.372
  192    HA   VAL  20           HA       VAL  20   0.908   8.651   3.129
  193    HB   VAL  20           HB       VAL  20   0.614   7.595   5.931
  194   HG11  VAL  20          1HG1      VAL  20  -1.404   8.235   4.674
  195   HG12  VAL  20          2HG1      VAL  20  -1.348   6.488   4.905
  196   HG13  VAL  20          3HG1      VAL  20  -0.915   7.185   3.344
  197   HG21  VAL  20          3HG2      VAL  20   0.764   5.299   4.906
  198   HG22  VAL  20          1HG2      VAL  20   2.304   6.161   4.949
  199   HG23  VAL  20          2HG2      VAL  20   1.395   6.052   3.441
  200    H    GLU  21           H        GLU  21   2.483  10.850   4.178
  201    HA   GLU  21           HA       GLU  21   0.645  12.046   6.194
  202    HB2  GLU  21           2HB      GLU  21   3.130  12.088   6.604
  203    HB3  GLU  21           1HB      GLU  21   3.294  13.124   5.185
  204    HG2  GLU  21           2HG      GLU  21   1.740  14.762   6.228
  205    HG3  GLU  21           1HG      GLU  21   1.660  13.742   7.665
  206    H    LYS  22           H        LYS  22  -0.553  13.885   5.705
  207    HA   LYS  22           HA       LYS  22  -1.041  14.419   2.887
  208    HB2  LYS  22           2HB      LYS  22  -2.887  14.526   4.470
  209    HB3  LYS  22           1HB      LYS  22  -2.053  15.766   5.405
  210    HG2  LYS  22           2HG      LYS  22  -2.208  17.344   3.588
  211    HG3  LYS  22           1HG      LYS  22  -2.814  16.103   2.499
  212    HD2  LYS  22           2HD      LYS  22  -4.711  17.401   3.231
  213    HD3  LYS  22           1HD      LYS  22  -4.799  15.835   4.038
  214    HE2  LYS  22           2HE      LYS  22  -5.205  17.879   5.518
  215    HE3  LYS  22           1HE      LYS  22  -3.988  16.744   6.095
  216    HZ1  LYS  22           3HZ      LYS  22  -2.333  18.204   5.750
  217    HZ2  LYS  22           1HZ      LYS  22  -3.572  19.359   5.862
  218    HZ3  LYS  22           2HZ      LYS  22  -3.028  18.843   4.337
  219    H    GLY  23           H        GLY  23  -0.645  16.979   5.282
  220    HA2  GLY  23           2HA      GLY  23   0.455  18.874   3.542
  221    HA3  GLY  23           1HA      GLY  23   0.737  18.880   5.282
  222    H    GLY  24           H        GLY  24   2.064  16.227   5.212
  223    HA2  GLY  24           2HA      GLY  24   4.750  17.119   4.847
  224    HA3  GLY  24           1HA      GLY  24   4.270  15.436   5.045
  225    HA   PRO  25           HA       PRO  25   5.223  16.505   0.465
  226    HB2  PRO  25           2HB      PRO  25   7.912  16.225   0.273
  227    HB3  PRO  25           1HB      PRO  25   7.158  17.768   0.717
  228    HG2  PRO  25           2HG      PRO  25   8.426  15.713   2.466
  229    HG3  PRO  25           1HG      PRO  25   8.555  17.479   2.526
  230    HD2  PRO  25           2HD      PRO  25   6.899  16.042   4.178
  231    HD3  PRO  25           1HD      PRO  25   6.579  17.722   3.689
  232    H    HIS  26           H        HIS  26   7.294  14.905  -0.721
  233    HA   HIS  26           HA       HIS  26   6.239  12.188  -0.082
  234    HB2  HIS  26           2HB      HIS  26   7.586  13.308  -2.556
  235    HB3  HIS  26           1HB      HIS  26   7.198  11.601  -2.346
  236    HD1  HIS  26           1HD      HIS  26   4.733  10.900  -2.530
  237    HD2  HIS  26           2HD      HIS  26   5.289  15.019  -2.870
  238    HE1  HIS  26           1HE      HIS  26   2.534  11.851  -3.355
  239    HE2  HIS  26           2HE      HIS  26   2.858  14.362  -3.553
  240    H    LYS  27           H        LYS  27   7.632  10.634   0.684
  241    HA   LYS  27           HA       LYS  27  10.556  11.252   0.639
  242    HB2  LYS  27           2HB      LYS  27   9.551  11.715   2.890
  243    HB3  LYS  27           1HB      LYS  27   9.039  10.030   2.966
  244    HG2  LYS  27           2HG      LYS  27  11.081  10.014   4.132
  245    HG3  LYS  27           1HG      LYS  27  11.546   9.483   2.519
  246    HD2  LYS  27           2HD      LYS  27  12.341  11.692   1.943
  247    HD3  LYS  27           1HD      LYS  27  11.680  12.370   3.431
  248    HE2  LYS  27           2HE      LYS  27  13.209  10.847   4.721
  249    HE3  LYS  27           1HE      LYS  27  13.945  10.369   3.190
  250    HZ1  LYS  27           3HZ      LYS  27  14.179  12.859   4.664
  251    HZ2  LYS  27           1HZ      LYS  27  14.032  13.019   2.981
  252    HZ3  LYS  27           2HZ      LYS  27  15.294  12.090   3.637
  253    H    VAL  28           H        VAL  28  11.795   9.544  -0.039
  254    HA   VAL  28           HA       VAL  28  12.273   7.421  -0.920
  255    HB   VAL  28           HB       VAL  28  10.398   6.638   1.333
  256   HG11  VAL  28          1HG1      VAL  28  10.477   4.720  -0.011
  257   HG12  VAL  28          2HG1      VAL  28  11.834   4.465   1.086
  258   HG13  VAL  28          3HG1      VAL  28  12.122   5.051  -0.553
  259   HG21  VAL  28          3HG2      VAL  28  13.133   7.594   1.217
  260   HG22  VAL  28          1HG2      VAL  28  13.077   5.961   1.882
  261   HG23  VAL  28          2HG2      VAL  28  12.138   7.251   2.633
  262    H    GLY  29           H        GLY  29   9.030   6.485   0.101
  263    HA2  GLY  29           2HA      GLY  29   8.341   6.105  -2.777
  264    HA3  GLY  29           1HA      GLY  29   7.589   5.239  -1.436
  265    HA   PRO  30           HA       PRO  30   5.301   9.276  -2.844
  266    HB2  PRO  30           2HB      PRO  30   3.102   7.899  -3.868
  267    HB3  PRO  30           1HB      PRO  30   4.428   8.579  -4.832
  268    HG2  PRO  30           2HG      PRO  30   4.007   5.784  -3.910
  269    HG3  PRO  30           1HG      PRO  30   4.632   6.388  -5.454
  270    HD2  PRO  30           2HD      PRO  30   6.301   5.405  -3.582
  271    HD3  PRO  30           1HD      PRO  30   6.769   6.797  -4.586
  272    H    ASN  31           H        ASN  31   3.606  10.127  -1.575
  273    HA   ASN  31           HA       ASN  31   2.970   8.685   0.859
  274    HB2  ASN  31           2HB      ASN  31   1.739  11.242  -0.208
  275    HB3  ASN  31           1HB      ASN  31   1.708  10.678   1.462
  276   HD21  ASN  31          1HD2      ASN  31   4.385   9.841   1.812
  277   HD22  ASN  31          2HD2      ASN  31   5.415  11.180   1.650
  278    H    LEU  32           H        LEU  32   1.136   7.537   1.340
  279    HA   LEU  32           HA       LEU  32  -0.836   7.154  -0.847
  280    HB2  LEU  32           2HB      LEU  32  -0.282   5.608   1.700
  281    HB3  LEU  32           1HB      LEU  32  -1.621   5.241   0.617
  282    HG   LEU  32           HG       LEU  32   0.268   5.211  -1.229
  283   HD11  LEU  32          1HD1      LEU  32   1.778   4.710   1.351
  284   HD12  LEU  32          2HD1      LEU  32   2.110   5.959   0.150
  285   HD13  LEU  32          3HD1      LEU  32   2.382   4.262  -0.243
  286   HD21  LEU  32          3HD2      LEU  32  -0.778   3.176  -1.024
  287   HD22  LEU  32          1HD2      LEU  32  -0.626   3.157   0.733
  288   HD23  LEU  32          2HD2      LEU  32   0.758   2.738  -0.275
  289    H    HIS  33           H        HIS  33  -0.572   9.362   1.423
  290    HA   HIS  33           HA       HIS  33  -2.782   9.231   3.141
  291    HB2  HIS  33           2HB      HIS  33  -2.681  11.649   3.258
  292    HB3  HIS  33           1HB      HIS  33  -1.035  11.033   3.124
  293    HD1  HIS  33           1HD      HIS  33  -0.033  11.029   0.583
  294    HD2  HIS  33           2HD      HIS  33  -3.365  13.449   1.255
  295    HE1  HIS  33           1HE      HIS  33  -0.139  12.662  -1.354
  296    HE2  HIS  33           2HE      HIS  33  -2.163  14.138  -0.954
  297    H    GLY  34           H        GLY  34  -2.722  10.005  -0.302
  298    HA2  GLY  34           2HA      GLY  34  -5.705   9.919  -0.255
  299    HA3  GLY  34           1HA      GLY  34  -4.893  11.236  -1.100
  300    H    ILE  35           H        ILE  35  -4.440   7.681  -0.950
  301    HA   ILE  35           HA       ILE  35  -4.263   7.716  -3.929
  302    HB   ILE  35           HB       ILE  35  -2.238   6.957  -2.625
  303   HG12  ILE  35          2HG1      ILE  35  -3.434   4.712  -4.257
  304   HG13  ILE  35          1HG1      ILE  35  -2.898   6.221  -5.000
  305   HG21  ILE  35          1HG2      ILE  35  -2.307   4.813  -1.516
  306   HG22  ILE  35          2HG2      ILE  35  -3.971   4.547  -2.028
  307   HG23  ILE  35          3HG2      ILE  35  -3.603   5.802  -0.846
  308   HD11  ILE  35          3HD1      ILE  35  -1.142   4.426  -4.994
  309   HD12  ILE  35          1HD1      ILE  35  -1.150   4.491  -3.233
  310   HD13  ILE  35          2HD1      ILE  35  -0.648   5.901  -4.164
  311    H    PHE  36           H        PHE  36  -6.446   7.048  -1.569
  312    HA   PHE  36           HA       PHE  36  -7.397   4.466  -2.580
  313    HB2  PHE  36           2HB      PHE  36  -8.398   6.436  -0.530
  314    HB3  PHE  36           1HB      PHE  36  -9.396   5.081  -1.052
  315    HD1  PHE  36           2HD      PHE  36  -8.588   2.741  -0.751
  316    HD2  PHE  36           1HD      PHE  36  -6.496   6.107   0.909
  317    HE1  PHE  36           2HE      PHE  36  -7.347   1.221   0.764
  318    HE2  PHE  36           1HE      PHE  36  -5.255   4.583   2.426
  319    HZ   PHE  36           HZ       PHE  36  -5.684   2.143   2.350
  320    H    GLY  37           H        GLY  37  -8.825   4.203  -4.222
  321    HA2  GLY  37           2HA      GLY  37 -10.454   4.709  -5.836
  322    HA3  GLY  37           1HA      GLY  37 -10.931   6.075  -4.826
  323    H    ARG  38           H        ARG  38  -7.646   5.627  -6.005
  324    HA   ARG  38           HA       ARG  38  -8.084   7.683  -8.093
  325    HB2  ARG  38           2HB      ARG  38  -6.145   8.003  -5.789
  326    HB3  ARG  38           1HB      ARG  38  -6.172   9.033  -7.220
  327    HG2  ARG  38           2HG      ARG  38  -8.563   9.585  -6.715
  328    HG3  ARG  38           1HG      ARG  38  -8.418   8.664  -5.217
  329    HD2  ARG  38           2HD      ARG  38  -6.480  10.157  -4.588
  330    HD3  ARG  38           1HD      ARG  38  -6.870  11.151  -5.992
  331    HE   ARG  38           HE       ARG  38  -9.267  10.944  -4.586
  332   HH11  ARG  38          1HH2      ARG  38  -6.027  11.946  -3.968
  333   HH12  ARG  38          2HH2      ARG  38  -6.476  13.122  -2.779
  334   HH21  ARG  38          1HH1      ARG  38  -9.873  12.474  -3.036
  335   HH22  ARG  38          2HH1      ARG  38  -8.654  13.421  -2.251
  336    H    HIS  39           H        HIS  39  -6.003   8.018  -9.375
  337    HA   HIS  39           HA       HIS  39  -4.763   5.367  -9.816
  338    HB2  HIS  39           2HB      HIS  39  -4.673   7.927 -11.442
  339    HB3  HIS  39           1HB      HIS  39  -3.914   6.409 -11.917
  340    HD1  HIS  39           1HD      HIS  39  -7.245   8.089 -11.602
  341    HD2  HIS  39           2HD      HIS  39  -5.753   4.348 -12.693
  342    HE1  HIS  39           1HE      HIS  39  -9.166   6.836 -12.682
  343    HE2  HIS  39           2HE      HIS  39  -8.269   4.559 -13.348
  344    H    SER  40           H        SER  40  -2.411   5.202 -10.032
  345    HA   SER  40           HA       SER  40  -0.968   6.431  -7.924
  346    HB2  SER  40           2HB      SER  40   0.988   5.412  -8.882
  347    HB3  SER  40           1HB      SER  40  -0.355   4.315  -9.194
  348    HG   SER  40           HG       SER  40   0.298   6.330 -11.044
  349    H    GLY  41           H        GLY  41  -1.210   7.287 -11.354
  350    HA2  GLY  41           2HA      GLY  41   0.754   9.376 -11.303
  351    HA3  GLY  41           1HA      GLY  41  -0.529   9.221 -12.501
  352    H    GLN  42           H        GLN  42  -2.683   9.309 -10.512
  353    HA   GLN  42           HA       GLN  42  -3.202  12.091 -10.495
  354    HB2  GLN  42           2HB      GLN  42  -4.907  10.263 -10.218
  355    HB3  GLN  42           1HB      GLN  42  -4.347  10.065  -8.556
  356    HG2  GLN  42           2HG      GLN  42  -4.924  12.383  -8.045
  357    HG3  GLN  42           1HG      GLN  42  -5.392  12.661  -9.723
  358   HE21  GLN  42          1HE2      GLN  42  -7.349  13.119  -7.804
  359   HE22  GLN  42          2HE2      GLN  42  -8.514  11.885  -7.842
  360    H    ALA  43           H        ALA  43  -1.682  10.061  -8.001
  361    HA   ALA  43           HA       ALA  43  -1.740  11.955  -5.885
  362    HB1  ALA  43           1HB      ALA  43  -0.210   9.527  -6.528
  363    HB2  ALA  43           2HB      ALA  43  -0.887  10.055  -4.987
  364    HB3  ALA  43           3HB      ALA  43   0.675  10.678  -5.523
  365    H    GLU  44           H        GLU  44   0.378  11.699  -8.688
  366    HA   GLU  44           HA       GLU  44   2.199  13.050  -9.351
  367    HB2  GLU  44           2HB      GLU  44   0.309  15.125  -8.195
  368    HB3  GLU  44           1HB      GLU  44   1.642  15.464  -9.299
  369    HG2  GLU  44           2HG      GLU  44  -0.715  13.655  -9.913
  370    HG3  GLU  44           1HG      GLU  44  -0.523  15.307 -10.499
  371    H    GLY  45           H        GLY  45   3.294  15.365  -8.312
  372    HA2  GLY  45           2HA      GLY  45   4.522  16.251  -6.494
  373    HA3  GLY  45           1HA      GLY  45   3.729  15.086  -5.435
  374    H    TYR  46           H        TYR  46   4.403  12.707  -6.801
  375    HA   TYR  46           HA       TYR  46   7.389  12.698  -6.575
  376    HB2  TYR  46           2HB      TYR  46   6.234  11.621  -4.626
  377    HB3  TYR  46           1HB      TYR  46   5.500  10.474  -5.748
  378    HD1  TYR  46           1HD      TYR  46   8.747  11.725  -4.428
  379    HD2  TYR  46           2HD      TYR  46   6.728   8.619  -6.602
  380    HE1  TYR  46           1HE      TYR  46  10.801  10.336  -4.351
  381    HE2  TYR  46           2HE      TYR  46   8.786   7.231  -6.529
  382    HH   TYR  46           HH       TYR  46  10.970   7.287  -4.679
  383    H    SER  47           H        SER  47   8.461  11.686  -8.245
  384    HA   SER  47           HA       SER  47   6.994  11.025 -10.641
  385    HB2  SER  47           2HB      SER  47   9.130  10.543 -11.607
  386    HB3  SER  47           1HB      SER  47   9.395  11.881 -10.494
  387    HG   SER  47           HG       SER  47   9.748   9.138  -9.845
  388    H    TYR  48           H        TYR  48   7.015   8.884 -11.696
  389    HA   TYR  48           HA       TYR  48   7.001   6.657  -9.697
  390    HB2  TYR  48           2HB      TYR  48   5.239   7.109 -12.118
  391    HB3  TYR  48           1HB      TYR  48   5.277   5.605 -11.199
  392    HD1  TYR  48           2HD      TYR  48   4.578   5.569  -8.815
  393    HD2  TYR  48           1HD      TYR  48   4.162   9.084 -11.250
  394    HE1  TYR  48           2HE      TYR  48   3.014   6.536  -7.151
  395    HE2  TYR  48           1HE      TYR  48   2.598  10.050  -9.586
  396    HH   TYR  48           HH       TYR  48   1.439   8.167  -6.844
  397    H    THR  49           H        THR  49   7.893   4.674 -10.352
  398    HA   THR  49           HA       THR  49  10.008   4.826 -12.309
  399    HB   THR  49           HB       THR  49   8.812   2.367 -10.994
  400    HG1  THR  49           1HG      THR  49  10.605   4.338 -10.165
  401   HG21  THR  49          3HG2      THR  49  11.471   1.892 -11.375
  402   HG22  THR  49          1HG2      THR  49  11.100   2.873 -12.793
  403   HG23  THR  49          2HG2      THR  49  10.209   1.381 -12.496
  404    H    ASP  50           H        ASP  50  10.141   3.667 -14.312
  405    HA   ASP  50           HA       ASP  50   7.983   3.859 -16.051
  406    HB2  ASP  50           2HB      ASP  50  10.275   1.896 -16.086
  407    HB3  ASP  50           1HB      ASP  50   9.165   2.115 -17.435
  408    H    ALA  51           H        ALA  51   8.746   1.218 -13.843
  409    HA   ALA  51           HA       ALA  51   7.117  -0.828 -14.814
  410    HB1  ALA  51           1HB      ALA  51   8.166  -1.560 -12.922
  411    HB2  ALA  51           2HB      ALA  51   6.655  -1.071 -12.152
  412    HB3  ALA  51           3HB      ALA  51   8.047   0.011 -12.130
  413    H    ASN  52           H        ASN  52   5.967   1.369 -12.211
  414    HA   ASN  52           HA       ASN  52   3.238   0.700 -12.504
  415    HB2  ASN  52           2HB      ASN  52   4.109   1.952 -10.569
  416    HB3  ASN  52           1HB      ASN  52   4.410   3.348 -11.605
  417   HD21  ASN  52          1HD2      ASN  52   1.745   1.269 -10.351
  418   HD22  ASN  52          2HD2      ASN  52   0.538   2.451 -10.543
  419    H    ILE  53           H        ILE  53   5.098   3.297 -14.115
  420    HA   ILE  53           HA       ILE  53   2.895   4.498 -15.444
  421    HB   ILE  53           HB       ILE  53   5.770   4.247 -16.367
  422   HG12  ILE  53          2HG1      ILE  53   4.379   6.460 -14.823
  423   HG13  ILE  53          1HG1      ILE  53   5.452   5.262 -14.098
  424   HG21  ILE  53          1HG2      ILE  53   3.426   5.374 -17.583
  425   HG22  ILE  53          2HG2      ILE  53   5.077   5.338 -18.199
  426   HG23  ILE  53          3HG2      ILE  53   4.549   6.670 -17.172
  427   HD11  ILE  53          3HD1      ILE  53   6.666   7.357 -14.603
  428   HD12  ILE  53          1HD1      ILE  53   6.223   7.199 -16.302
  429   HD13  ILE  53          2HD1      ILE  53   7.292   6.011 -15.555
  430    H    LYS  54           H        LYS  54   5.051   1.839 -16.462
  431    HA   LYS  54           HA       LYS  54   3.932   1.452 -19.049
  432    HB2  LYS  54           2HB      LYS  54   6.025   0.351 -18.191
  433    HB3  LYS  54           1HB      LYS  54   5.011  -0.702 -17.204
  434    HG2  LYS  54           2HG      LYS  54   3.858  -1.490 -19.255
  435    HG3  LYS  54           1HG      LYS  54   4.930  -0.478 -20.227
  436    HD2  LYS  54           2HD      LYS  54   6.884  -1.709 -19.238
  437    HD3  LYS  54           1HD      LYS  54   5.738  -2.799 -18.454
  438    HE2  LYS  54           2HE      LYS  54   5.051  -2.533 -21.239
  439    HE3  LYS  54           1HE      LYS  54   6.751  -2.980 -21.092
  440    HZ1  LYS  54           3HZ      LYS  54   5.656  -5.001 -21.044
  441    HZ2  LYS  54           1HZ      LYS  54   4.371  -4.414 -20.105
  442    HZ3  LYS  54           2HZ      LYS  54   5.891  -4.674 -19.393
  443    H    LYS  55           H        LYS  55   2.955   0.297 -15.862
  444    HA   LYS  55           HA       LYS  55   0.388  -0.641 -17.077
  445    HB2  LYS  55           2HB      LYS  55   1.784  -2.564 -16.361
  446    HB3  LYS  55           1HB      LYS  55   1.874  -1.882 -14.737
  447    HG2  LYS  55           2HG      LYS  55  -0.588  -2.014 -14.549
  448    HG3  LYS  55           1HG      LYS  55  -0.668  -2.727 -16.163
  449    HD2  LYS  55           2HD      LYS  55   0.817  -4.581 -15.352
  450    HD3  LYS  55           1HD      LYS  55   0.698  -3.903 -13.726
  451    HE2  LYS  55           2HE      LYS  55  -1.949  -4.077 -14.733
  452    HE3  LYS  55           1HE      LYS  55  -1.166  -5.617 -15.088
  453    HZ1  LYS  55           3HZ      LYS  55  -1.559  -6.125 -12.975
  454    HZ2  LYS  55           1HZ      LYS  55  -1.977  -4.531 -12.573
  455    HZ3  LYS  55           2HZ      LYS  55  -0.347  -5.008 -12.557
  456    H    ASN  56           H        ASN  56  -1.116   0.828 -16.409
  457    HA   ASN  56           HA       ASN  56  -0.772   2.088 -13.741
  458    HB2  ASN  56           2HB      ASN  56  -1.275   3.420 -15.898
  459    HB3  ASN  56           1HB      ASN  56  -2.913   2.781 -15.752
  460   HD21  ASN  56          1HD2      ASN  56  -1.796   2.962 -12.627
  461   HD22  ASN  56          2HD2      ASN  56  -2.346   4.513 -12.215
  462    H    VAL  57           H        VAL  57  -2.132   1.630 -12.067
  463    HA   VAL  57           HA       VAL  57  -4.527  -0.059 -12.644
  464    HB   VAL  57           HB       VAL  57  -2.669  -1.449 -11.762
  465   HG11  VAL  57          1HG1      VAL  57  -1.933   0.721 -10.355
  466   HG12  VAL  57          2HG1      VAL  57  -1.497  -0.912  -9.856
  467   HG13  VAL  57          3HG1      VAL  57  -2.875  -0.099  -9.112
  468   HG21  VAL  57          3HG2      VAL  57  -4.664  -1.123  -9.531
  469   HG22  VAL  57          1HG2      VAL  57  -3.998  -2.607 -10.212
  470   HG23  VAL  57          2HG2      VAL  57  -5.199  -1.683 -11.116
  471    H    LEU  58           H        LEU  58  -6.323   0.357 -11.312
  472    HA   LEU  58           HA       LEU  58  -6.327   2.974 -10.000
  473    HB2  LEU  58           2HB      LEU  58  -8.295   2.207 -11.285
  474    HB3  LEU  58           1HB      LEU  58  -8.486   0.845 -10.180
  475    HG   LEU  58           HG       LEU  58  -8.779   2.450  -8.297
  476   HD11  LEU  58          1HD1      LEU  58  -7.852   4.487  -8.728
  477   HD12  LEU  58          2HD1      LEU  58  -9.433   4.841  -9.428
  478   HD13  LEU  58          3HD1      LEU  58  -8.098   4.341 -10.468
  479   HD21  LEU  58          3HD2      LEU  58 -10.574   2.158 -10.610
  480   HD22  LEU  58          1HD2      LEU  58 -10.929   3.565  -9.610
  481   HD23  LEU  58          2HD2      LEU  58 -10.911   1.955  -8.892
  482    H    TRP  59           H        TRP  59  -6.117   3.314  -7.816
  483    HA   TRP  59           HA       TRP  59  -5.643   0.911  -6.150
  484    HB2  TRP  59           2HB      TRP  59  -5.145   3.856  -5.653
  485    HB3  TRP  59           1HB      TRP  59  -4.817   2.589  -4.470
  486    HD1  TRP  59           HD       TRP  59  -3.328   4.329  -7.364
  487    HE1  TRP  59           1HE      TRP  59  -1.140   3.177  -8.094
  488    HE3  TRP  59           3HE      TRP  59  -3.672   0.018  -4.666
  489    HZ2  TRP  59           2HZ      TRP  59   0.278   0.744  -7.595
  490    HZ3  TRP  59           3HZ      TRP  59  -1.890  -1.696  -4.806
  491    HH2  TRP  59           HH       TRP  59   0.082  -1.340  -6.264
  492    H    ASP  60           H        ASP  60  -7.157   0.167  -4.842
  493    HA   ASP  60           HA       ASP  60  -9.108   1.979  -3.563
  494    HB2  ASP  60           2HB      ASP  60 -10.116   1.161  -5.747
  495    HB3  ASP  60           1HB      ASP  60 -10.018  -0.476  -5.094
  496    H    GLU  61           H        GLU  61 -10.290   0.744  -1.794
  497    HA   GLU  61           HA       GLU  61  -8.510  -0.672  -0.145
  498    HB2  GLU  61           2HB      GLU  61 -11.534  -0.913  -0.254
  499    HB3  GLU  61           1HB      GLU  61 -10.520  -1.435   1.093
  500    HG2  GLU  61           2HG      GLU  61  -9.694   0.888   1.353
  501    HG3  GLU  61           1HG      GLU  61 -10.756   1.401   0.040
  502    H    ASN  62           H        ASN  62 -10.832  -1.948  -2.522
  503    HA   ASN  62           HA       ASN  62 -10.323  -4.724  -1.937
  504    HB2  ASN  62           2HB      ASN  62 -12.325  -3.976  -3.167
  505    HB3  ASN  62           1HB      ASN  62 -11.304  -3.425  -4.496
  506   HD21  ASN  62          1HD2      ASN  62 -10.369  -5.026  -5.903
  507   HD22  ASN  62          2HD2      ASN  62 -10.809  -6.666  -5.828
  508    H    ASN  63           H        ASN  63  -9.066  -2.545  -4.473
  509    HA   ASN  63           HA       ASN  63  -7.366  -4.456  -5.714
  510    HB2  ASN  63           2HB      ASN  63  -8.028  -2.184  -6.610
  511    HB3  ASN  63           1HB      ASN  63  -6.823  -1.489  -5.523
  512   HD21  ASN  63          1HD2      ASN  63  -4.818  -1.210  -6.496
  513   HD22  ASN  63          2HD2      ASN  63  -4.206  -2.154  -7.767
  514    H    MET  64           H        MET  64  -6.758  -2.259  -2.986
  515    HA   MET  64           HA       MET  64  -3.958  -2.712  -2.799
  516    HB2  MET  64           2HB      MET  64  -6.001  -2.070  -0.659
  517    HB3  MET  64           1HB      MET  64  -4.261  -2.108  -0.362
  518    HG2  MET  64           2HG      MET  64  -3.969  -0.450  -2.221
  519    HG3  MET  64           1HG      MET  64  -5.722  -0.336  -2.334
  520    HE1  MET  64           3HE      MET  64  -5.242   1.981  -2.309
  521    HE2  MET  64           1HE      MET  64  -3.684   2.337  -1.550
  522    HE3  MET  64           2HE      MET  64  -5.171   2.994  -0.868
  523    H    SER  65           H        SER  65  -6.690  -4.585  -1.507
  524    HA   SER  65           HA       SER  65  -5.138  -6.372   0.091
  525    HB2  SER  65           2HB      SER  65  -7.050  -7.866  -0.015
  526    HB3  SER  65           1HB      SER  65  -7.649  -6.214   0.104
  527    HG   SER  65           HG       SER  65  -8.101  -8.017  -1.800
  528    H    GLU  66           H        GLU  66  -6.022  -6.443  -3.350
  529    HA   GLU  66           HA       GLU  66  -4.819  -9.005  -3.893
  530    HB2  GLU  66           2HB      GLU  66  -6.452  -7.845  -5.406
  531    HB3  GLU  66           1HB      GLU  66  -5.193  -6.677  -5.802
  532    HG2  GLU  66           2HG      GLU  66  -3.745  -8.552  -6.586
  533    HG3  GLU  66           1HG      GLU  66  -5.077  -9.668  -6.283
  534    H    HIS  67           H        HIS  67  -3.606  -5.692  -3.837
  535    HA   HIS  67           HA       HIS  67  -1.092  -6.143  -5.086
  536    HB2  HIS  67           2HB      HIS  67  -2.158  -3.916  -4.465
  537    HB3  HIS  67           1HB      HIS  67  -1.603  -4.210  -2.817
  538    HD1  HIS  67           1HD      HIS  67  -0.086  -4.232  -6.321
  539    HD2  HIS  67           2HD      HIS  67   0.950  -3.215  -2.409
  540    HE1  HIS  67           1HE      HIS  67   2.263  -3.289  -6.421
  541    HE2  HIS  67           2HE      HIS  67   2.893  -2.674  -4.051
  542    H    LEU  68           H        LEU  68  -2.037  -6.303  -1.657
  543    HA   LEU  68           HA       LEU  68   0.558  -6.962  -0.667
  544    HB2  LEU  68           2HB      LEU  68  -2.134  -7.737   0.495
  545    HB3  LEU  68           1HB      LEU  68  -0.601  -7.660   1.360
  546    HG   LEU  68           HG       LEU  68  -2.089  -5.343   0.103
  547   HD11  LEU  68          1HD1      LEU  68  -1.735  -4.587   2.615
  548   HD12  LEU  68          2HD1      LEU  68  -1.625  -6.326   2.892
  549   HD13  LEU  68          3HD1      LEU  68  -3.083  -5.637   2.175
  550   HD21  LEU  68          3HD2      LEU  68   0.708  -5.601   1.174
  551   HD22  LEU  68          1HD2      LEU  68  -0.154  -4.072   1.327
  552   HD23  LEU  68          2HD2      LEU  68   0.146  -4.757  -0.269
  553    H    THR  69           H        THR  69  -1.915  -8.916  -2.205
  554    HA   THR  69           HA       THR  69  -0.587 -11.410  -1.361
  555    HB   THR  69           HB       THR  69  -2.749 -11.095  -3.460
  556    HG1  THR  69           1HG      THR  69  -4.120 -11.621  -1.615
  557   HG21  THR  69          3HG2      THR  69  -1.686 -13.277  -3.432
  558   HG22  THR  69          1HG2      THR  69  -3.282 -13.423  -2.696
  559   HG23  THR  69          2HG2      THR  69  -1.842 -13.372  -1.677
  560    H    ASN  70           H        ASN  70   1.088 -12.287  -2.487
  561    HA   ASN  70           HA       ASN  70   2.780 -12.388  -4.137
  562    HB2  ASN  70           2HB      ASN  70   0.203 -12.593  -5.718
  563    HB3  ASN  70           1HB      ASN  70   1.795 -12.906  -6.413
  564   HD21  ASN  70          1HD2      ASN  70   0.743 -13.745  -3.094
  565   HD22  ASN  70          2HD2      ASN  70   0.899 -15.423  -3.299
  566    HA   PRO  71           HA       PRO  71   2.016  -7.827  -5.243
  567    HB2  PRO  71           2HB      PRO  71   4.321  -6.946  -3.979
  568    HB3  PRO  71           1HB      PRO  71   2.700  -6.923  -3.265
  569    HG2  PRO  71           2HG      PRO  71   4.921  -8.848  -2.859
  570    HG3  PRO  71           1HG      PRO  71   3.720  -8.244  -1.706
  571    HD2  PRO  71           2HD      PRO  71   3.554 -10.724  -2.815
  572    HD3  PRO  71           1HD      PRO  71   2.117  -9.783  -2.360
  573    H    ALA  72           H        ALA  72   4.720 -10.047  -5.464
  574    HA   ALA  72           HA       ALA  72   6.448  -8.492  -7.110
  575    HB1  ALA  72           1HB      ALA  72   6.416 -11.299  -7.871
  576    HB2  ALA  72           2HB      ALA  72   6.410 -11.111  -6.117
  577    HB3  ALA  72           3HB      ALA  72   7.691 -10.376  -7.079
  578    H    LYS  73           H        LYS  73   3.883 -10.810  -8.036
  579    HA   LYS  73           HA       LYS  73   4.148 -10.374 -10.857
  580    HB2  LYS  73           2HB      LYS  73   1.754 -11.269  -9.218
  581    HB3  LYS  73           1HB      LYS  73   1.848 -11.350 -10.978
  582    HG2  LYS  73           2HG      LYS  73   3.887 -12.777 -10.763
  583    HG3  LYS  73           1HG      LYS  73   3.669 -12.769  -9.013
  584    HD2  LYS  73           2HD      LYS  73   1.395 -13.746  -9.330
  585    HD3  LYS  73           1HD      LYS  73   1.714 -13.849 -11.061
  586    HE2  LYS  73           2HE      LYS  73   2.486 -15.932 -10.542
  587    HE3  LYS  73           1HE      LYS  73   3.943 -15.060 -10.069
  588    HZ1  LYS  73           3HZ      LYS  73   2.426 -14.832  -7.871
  589    HZ2  LYS  73           1HZ      LYS  73   3.591 -16.042  -8.103
  590    HZ3  LYS  73           2HZ      LYS  73   1.955 -16.366  -8.428
  591    H    TYR  74           H        TYR  74   2.435  -8.650  -8.323
  592    HA   TYR  74           HA       TYR  74   0.595  -7.138  -9.812
  593    HB2  TYR  74           2HB      TYR  74   1.000  -7.134  -7.285
  594    HB3  TYR  74           1HB      TYR  74   2.312  -6.001  -7.593
  595    HD1  TYR  74           2HD      TYR  74   1.817  -3.785  -8.659
  596    HD2  TYR  74           1HD      TYR  74  -1.291  -6.444  -7.368
  597    HE1  TYR  74           2HE      TYR  74   0.206  -1.910  -8.701
  598    HE2  TYR  74           1HE      TYR  74  -2.912  -4.567  -7.412
  599    HH   TYR  74           HH       TYR  74  -1.870  -1.273  -7.809
  600    H    ILE  75           H        ILE  75   4.055  -6.459  -9.210
  601    HA   ILE  75           HA       ILE  75   4.086  -4.876 -11.721
  602    HB   ILE  75           HB       ILE  75   5.692  -3.261 -10.444
  603   HG12  ILE  75          2HG1      ILE  75   3.981  -3.897  -8.072
  604   HG13  ILE  75          1HG1      ILE  75   5.398  -4.901  -8.373
  605   HG21  ILE  75          1HG2      ILE  75   3.346  -2.267  -9.396
  606   HG22  ILE  75          2HG2      ILE  75   2.768  -3.337 -10.673
  607   HG23  ILE  75          3HG2      ILE  75   3.895  -2.038 -11.054
  608   HD11  ILE  75          3HD1      ILE  75   5.720  -1.935  -8.539
  609   HD12  ILE  75          1HD1      ILE  75   6.877  -3.160  -8.021
  610   HD13  ILE  75          2HD1      ILE  75   5.576  -2.664  -6.939
  611    HA   PRO  76           HA       PRO  76   7.785  -7.077 -12.703
  612    HB2  PRO  76           2HB      PRO  76   9.181  -4.457 -12.942
  613    HB3  PRO  76           1HB      PRO  76   9.067  -5.786 -14.107
  614    HG2  PRO  76           2HG      PRO  76   7.650  -3.491 -14.318
  615    HG3  PRO  76           1HG      PRO  76   7.104  -5.047 -14.961
  616    HD2  PRO  76           2HD      PRO  76   6.050  -3.519 -12.678
  617    HD3  PRO  76           1HD      PRO  76   5.306  -4.850 -13.586
  618    H    GLY  77           H        GLY  77   7.537  -5.001 -10.030
  619    HA2  GLY  77           2HA      GLY  77   8.598  -5.281  -7.921
  620    HA3  GLY  77           1HA      GLY  77   9.732  -6.402  -8.673
  621    H    THR  78           H        THR  78   8.904  -3.018  -9.443
  622    HA   THR  78           HA       THR  78  11.533  -2.244 -10.143
  623    HB   THR  78           HB       THR  78   9.603  -0.864 -10.708
  624    HG1  THR  78           1HG      THR  78  10.515   1.093  -9.318
  625   HG21  THR  78          3HG2      THR  78   7.988  -0.495  -9.194
  626   HG22  THR  78          1HG2      THR  78   9.114   0.455  -8.223
  627   HG23  THR  78          2HG2      THR  78   8.969  -1.282  -7.956
  628    H    LYS  79           H        LYS  79  10.818   0.023  -7.832
  629    HA   LYS  79           HA       LYS  79  13.006  -0.957  -6.115
  630    HB2  LYS  79           2HB      LYS  79  11.458   1.643  -6.155
  631    HB3  LYS  79           1HB      LYS  79  12.794   1.302  -5.056
  632    HG2  LYS  79           2HG      LYS  79  14.212   0.830  -7.107
  633    HG3  LYS  79           1HG      LYS  79  12.883   1.464  -8.079
  634    HD2  LYS  79           2HD      LYS  79  14.272   2.988  -5.855
  635    HD3  LYS  79           1HD      LYS  79  14.601   3.201  -7.574
  636    HE2  LYS  79           2HE      LYS  79  12.019   3.589  -7.759
  637    HE3  LYS  79           1HE      LYS  79  12.118   3.901  -6.026
  638    HZ1  LYS  79           3HZ      LYS  79  14.025   5.215  -7.831
  639    HZ2  LYS  79           1HZ      LYS  79  13.422   5.739  -6.335
  640    HZ3  LYS  79           2HZ      LYS  79  12.442   5.823  -7.721
  641    H    MET  80           H        MET  80   9.770  -1.501  -6.219
  642    HA   MET  80           HA       MET  80   9.080  -1.111  -3.416
  643    HB2  MET  80           2HB      MET  80   7.803  -2.357  -5.811
  644    HB3  MET  80           1HB      MET  80   7.247  -2.895  -4.227
  645    HG2  MET  80           2HG      MET  80   7.538   0.047  -4.643
  646    HG3  MET  80           1HG      MET  80   6.184  -0.753  -5.442
  647    HE1  MET  80           3HE      MET  80   4.989  -2.863  -3.909
  648    HE2  MET  80           1HE      MET  80   4.106  -1.419  -4.424
  649    HE3  MET  80           2HE      MET  80   3.919  -2.032  -2.783
  650    H    ALA  81           H        ALA  81   9.903  -2.356  -1.816
  651    HA   ALA  81           HA       ALA  81  10.773  -5.137  -2.490
  652    HB1  ALA  81           1HB      ALA  81  12.381  -3.285  -1.534
  653    HB2  ALA  81           2HB      ALA  81  12.478  -4.937  -0.922
  654    HB3  ALA  81           3HB      ALA  81  11.620  -3.703   0.001
  655    H    PHE  82           H        PHE  82   8.008  -4.354  -1.781
  656    HA   PHE  82           HA       PHE  82   7.674  -5.340   0.978
  657    HB2  PHE  82           2HB      PHE  82   6.234  -3.506   0.016
  658    HB3  PHE  82           1HB      PHE  82   5.531  -4.705  -1.070
  659    HD1  PHE  82           1HD      PHE  82   5.931  -3.712   2.476
  660    HD2  PHE  82           2HD      PHE  82   3.963  -6.360  -0.276
  661    HE1  PHE  82           1HE      PHE  82   4.379  -4.426   4.273
  662    HE2  PHE  82           2HE      PHE  82   2.415  -7.075   1.521
  663    HZ   PHE  82           HZ       PHE  82   2.620  -6.107   3.795
  664    H    GLY  83           H        GLY  83   7.237  -7.444   1.470
  665    HA2  GLY  83           2HA      GLY  83   7.091  -9.389  -0.736
  666    HA3  GLY  83           1HA      GLY  83   7.235  -9.777   0.979
  667    H    GLY  84           H        GLY  84   5.440 -11.320  -0.130
  668    HA2  GLY  84           2HA      GLY  84   2.791 -10.008  -0.082
  669    HA3  GLY  84           1HA      GLY  84   3.101 -11.673  -0.569
  670    H    LEU  85           H        LEU  85   1.069 -10.870   1.318
  671    HA   LEU  85           HA       LEU  85   2.183 -11.830   3.913
  672    HB2  LEU  85           2HB      LEU  85  -0.544 -10.638   3.318
  673    HB3  LEU  85           1HB      LEU  85   0.127 -10.975   4.914
  674    HG   LEU  85           HG       LEU  85   1.214  -8.990   2.896
  675   HD11  LEU  85          1HD1      LEU  85   0.029  -8.581   5.658
  676   HD12  LEU  85          2HD1      LEU  85  -0.836  -8.299   4.148
  677   HD13  LEU  85          3HD1      LEU  85   0.572  -7.319   4.553
  678   HD21  LEU  85          3HD2      LEU  85   3.149  -9.714   3.969
  679   HD22  LEU  85          1HD2      LEU  85   2.293 -10.130   5.454
  680   HD23  LEU  85          2HD2      LEU  85   2.624  -8.440   5.070
  681    H    LYS  86           H        LYS  86   1.946 -13.967   4.302
  682    HA   LYS  86           HA       LYS  86   0.327 -15.691   2.676
  683    HB2  LYS  86           2HB      LYS  86   1.563 -16.171   5.404
  684    HB3  LYS  86           1HB      LYS  86   0.894 -17.426   4.361
  685    HG2  LYS  86           2HG      LYS  86   2.510 -16.669   2.567
  686    HG3  LYS  86           1HG      LYS  86   3.266 -15.634   3.780
  687    HD2  LYS  86           2HD      LYS  86   2.925 -18.636   4.047
  688    HD3  LYS  86           1HD      LYS  86   4.417 -17.836   3.554
  689    HE2  LYS  86           2HE      LYS  86   4.901 -17.830   5.774
  690    HE3  LYS  86           1HE      LYS  86   3.791 -16.461   5.845
  691    HZ1  LYS  86           3HZ      LYS  86   3.518 -18.819   7.184
  692    HZ2  LYS  86           1HZ      LYS  86   2.431 -18.976   5.892
  693    HZ3  LYS  86           2HZ      LYS  86   2.301 -17.656   6.953
  694    H    LYS  87           H        LYS  87  -0.231 -14.144   5.821
  695    HA   LYS  87           HA       LYS  87  -2.801 -15.561   6.108
  696    HB2  LYS  87           2HB      LYS  87  -1.441 -13.484   7.843
  697    HB3  LYS  87           1HB      LYS  87  -2.968 -14.273   8.240
  698    HG2  LYS  87           2HG      LYS  87  -1.801 -16.487   8.072
  699    HG3  LYS  87           1HG      LYS  87  -0.280 -15.619   7.862
  700    HD2  LYS  87           2HD      LYS  87  -0.692 -14.458  10.036
  701    HD3  LYS  87           1HD      LYS  87  -2.128 -15.460  10.257
  702    HE2  LYS  87           2HE      LYS  87   0.678 -16.544   9.878
  703    HE3  LYS  87           1HE      LYS  87  -0.131 -16.380  11.437
  704    HZ1  LYS  87           3HZ      LYS  87  -1.086 -18.009   9.145
  705    HZ2  LYS  87           1HZ      LYS  87  -1.889 -17.836  10.628
  706    HZ3  LYS  87           2HZ      LYS  87  -0.377 -18.610  10.566
  707    H    GLU  88           H        GLU  88  -4.725 -14.718   5.531
  708    HA   GLU  88           HA       GLU  88  -4.826 -12.148   4.152
  709    HB2  GLU  88           2HB      GLU  88  -7.002 -14.124   4.901
  710    HB3  GLU  88           1HB      GLU  88  -7.248 -12.699   3.890
  711    HG2  GLU  88           2HG      GLU  88  -5.541 -13.555   2.302
  712    HG3  GLU  88           1HG      GLU  88  -5.372 -15.005   3.293
  713    H    LYS  89           H        LYS  89  -5.681 -13.361   7.339
  714    HA   LYS  89           HA       LYS  89  -7.466 -11.344   8.189
  715    HB2  LYS  89           2HB      LYS  89  -6.798 -13.423   9.463
  716    HB3  LYS  89           1HB      LYS  89  -5.308 -12.596   9.902
  717    HG2  LYS  89           2HG      LYS  89  -6.639 -10.763  10.915
  718    HG3  LYS  89           1HG      LYS  89  -8.116 -11.648  10.533
  719    HD2  LYS  89           2HD      LYS  89  -7.244 -13.570  11.891
  720    HD3  LYS  89           1HD      LYS  89  -5.886 -12.554  12.374
  721    HE2  LYS  89           2HE      LYS  89  -7.619 -12.455  14.092
  722    HE3  LYS  89           1HE      LYS  89  -7.499 -10.889  13.291
  723    HZ1  LYS  89           3HZ      LYS  89  -9.806 -11.891  13.630
  724    HZ2  LYS  89           1HZ      LYS  89  -9.407 -12.940  12.358
  725    HZ3  LYS  89           2HZ      LYS  89  -9.436 -11.260  12.096
  726    H    ASP  90           H        ASP  90  -3.908 -11.411   8.562
  727    HA   ASP  90           HA       ASP  90  -3.760  -8.771   9.660
  728    HB2  ASP  90           2HB      ASP  90  -1.354  -8.889   9.166
  729    HB3  ASP  90           1HB      ASP  90  -1.919 -10.395   9.885
  730    H    ARG  91           H        ARG  91  -3.891  -9.960   6.366
  731    HA   ARG  91           HA       ARG  91  -2.973  -7.643   5.002
  732    HB2  ARG  91           2HB      ARG  91  -3.455  -9.842   3.922
  733    HB3  ARG  91           1HB      ARG  91  -5.178  -9.541   4.146
  734    HG2  ARG  91           2HG      ARG  91  -4.916  -7.422   2.824
  735    HG3  ARG  91           1HG      ARG  91  -3.249  -7.897   2.488
  736    HD2  ARG  91           2HD      ARG  91  -5.712  -9.515   1.782
  737    HD3  ARG  91           1HD      ARG  91  -4.753  -8.570   0.647
  738    HE   ARG  91           HE       ARG  91  -2.852 -10.206   1.669
  739   HH11  ARG  91          1HH2      ARG  91  -6.089 -10.766   0.611
  740   HH12  ARG  91          2HH2      ARG  91  -5.783 -12.400   0.122
  741   HH21  ARG  91          1HH1      ARG  91  -2.440 -12.334   1.034
  742   HH22  ARG  91          2HH1      ARG  91  -3.720 -13.287   0.361
  743    H    ASN  92           H        ASN  92  -6.239  -8.503   6.156
  744    HA   ASN  92           HA       ASN  92  -7.572  -6.214   5.109
  745    HB2  ASN  92           2HB      ASN  92  -8.146  -7.947   7.524
  746    HB3  ASN  92           1HB      ASN  92  -9.238  -6.690   6.953
  747   HD21  ASN  92          1HD2      ASN  92 -10.146  -6.965   4.728
  748   HD22  ASN  92          2HD2      ASN  92 -10.258  -8.519   4.056
  749    H    ASP  93           H        ASP  93  -5.941  -6.752   8.236
  750    HA   ASP  93           HA       ASP  93  -6.649  -4.220   9.362
  751    HB2  ASP  93           2HB      ASP  93  -4.292  -6.046   9.900
  752    HB3  ASP  93           1HB      ASP  93  -4.729  -4.660  10.893
  753    H    LEU  94           H        LEU  94  -3.838  -5.266   7.427
  754    HA   LEU  94           HA       LEU  94  -2.315  -2.894   7.680
  755    HB2  LEU  94           2HB      LEU  94  -1.438  -4.944   6.634
  756    HB3  LEU  94           1HB      LEU  94  -2.541  -4.726   5.275
  757    HG   LEU  94           HG       LEU  94  -1.474  -2.585   4.723
  758   HD11  LEU  94          1HD1      LEU  94   0.826  -2.299   6.039
  759   HD12  LEU  94          2HD1      LEU  94  -0.070  -3.139   7.305
  760   HD13  LEU  94          3HD1      LEU  94  -0.675  -1.613   6.661
  761   HD21  LEU  94          3HD2      LEU  94   0.135  -3.651   3.544
  762   HD22  LEU  94          1HD2      LEU  94  -0.383  -5.114   4.382
  763   HD23  LEU  94          2HD2      LEU  94   0.971  -4.173   5.005
  764    H    ILE  95           H        ILE  95  -4.805  -3.703   5.233
  765    HA   ILE  95           HA       ILE  95  -4.601  -1.161   3.892
  766    HB   ILE  95           HB       ILE  95  -6.995  -3.009   4.023
  767   HG12  ILE  95          2HG1      ILE  95  -4.716  -2.948   2.022
  768   HG13  ILE  95          1HG1      ILE  95  -4.885  -4.147   3.303
  769   HG21  ILE  95          1HG2      ILE  95  -6.767  -0.473   2.935
  770   HG22  ILE  95          2HG2      ILE  95  -7.938  -1.692   2.430
  771   HG23  ILE  95          3HG2      ILE  95  -6.413  -1.519   1.556
  772   HD11  ILE  95          3HD1      ILE  95  -7.385  -4.110   2.048
  773   HD12  ILE  95          1HD1      ILE  95  -6.146  -5.352   1.874
  774   HD13  ILE  95          2HD1      ILE  95  -6.223  -4.016   0.724
  775    H    THR  96           H        THR  96  -6.521  -2.369   6.586
  776    HA   THR  96           HA       THR  96  -8.340  -0.227   6.864
  777    HB   THR  96           HB       THR  96  -7.056  -1.773   9.130
  778    HG1  THR  96           1HG      THR  96  -7.972  -3.420   8.240
  779   HG21  THR  96          3HG2      THR  96  -9.014  -1.240  10.363
  780   HG22  THR  96          1HG2      THR  96  -9.869  -0.698   8.918
  781   HG23  THR  96          2HG2      THR  96  -8.548   0.269   9.578
  782    H    TYR  97           H        TYR  97  -5.012  -0.584   8.114
  783    HA   TYR  97           HA       TYR  97  -4.979   1.815   9.655
  784    HB2  TYR  97           2HB      TYR  97  -3.207   0.069   9.757
  785    HB3  TYR  97           1HB      TYR  97  -2.671   0.545   8.147
  786    HD1  TYR  97           1HD      TYR  97  -3.075   1.711  11.651
  787    HD2  TYR  97           2HD      TYR  97  -1.344   2.506   7.802
  788    HE1  TYR  97           1HE      TYR  97  -1.699   3.518  12.644
  789    HE2  TYR  97           2HE      TYR  97   0.031   4.315   8.795
  790    HH   TYR  97           HH       TYR  97   0.922   4.931  11.026
  791    H    LEU  98           H        LEU  98  -3.929   1.246   6.274
  792    HA   LEU  98           HA       LEU  98  -3.419   4.033   5.746
  793    HB2  LEU  98           2HB      LEU  98  -4.059   1.731   3.875
  794    HB3  LEU  98           1HB      LEU  98  -3.529   3.325   3.339
  795    HG   LEU  98           HG       LEU  98  -1.968   1.486   5.178
  796   HD11  LEU  98          1HD1      LEU  98  -0.518   1.983   2.848
  797   HD12  LEU  98          2HD1      LEU  98  -2.167   1.724   2.274
  798   HD13  LEU  98          3HD1      LEU  98  -1.365   0.486   3.241
  799   HD21  LEU  98          3HD2      LEU  98  -1.114   3.533   5.769
  800   HD22  LEU  98          1HD2      LEU  98  -1.679   4.309   4.290
  801   HD23  LEU  98          2HD2      LEU  98  -0.210   3.335   4.268
  802    H    LYS  99           H        LYS  99  -6.236   1.959   5.573
  803    HA   LYS  99           HA       LYS  99  -7.964   3.602   4.051
  804    HB2  LYS  99           2HB      LYS  99  -8.439   1.255   4.885
  805    HB3  LYS  99           1HB      LYS  99  -8.747   1.957   6.473
  806    HG2  LYS  99           2HG      LYS  99 -10.494   3.410   5.446
  807    HG3  LYS  99           1HG      LYS  99 -10.239   2.572   3.915
  808    HD2  LYS  99           2HD      LYS  99 -10.821   0.425   5.004
  809    HD3  LYS  99           1HD      LYS  99 -11.118   1.285   6.516
  810    HE2  LYS  99           2HE      LYS  99 -12.582   2.648   4.507
  811    HE3  LYS  99           1HE      LYS  99 -12.893   0.926   4.282
  812    HZ1  LYS  99           3HZ      LYS  99 -13.340   0.812   6.710
  813    HZ2  LYS  99           1HZ      LYS  99 -14.460   1.745   5.842
  814    HZ3  LYS  99           2HZ      LYS  99 -13.254   2.508   6.764
  815    H    LYS 100           H        LYS 100  -7.193   3.627   7.521
  816    HA   LYS 100           HA       LYS 100  -9.028   5.652   8.317
  817    HB2  LYS 100           2HB      LYS 100  -7.713   4.220   9.879
  818    HB3  LYS 100           1HB      LYS 100  -6.260   5.108   9.423
  819    HG2  LYS 100           2HG      LYS 100  -7.362   7.218  10.182
  820    HG3  LYS 100           1HG      LYS 100  -8.731   6.258  10.746
  821    HD2  LYS 100           2HD      LYS 100  -7.115   4.932  12.153
  822    HD3  LYS 100           1HD      LYS 100  -5.867   6.096  11.712
  823    HE2  LYS 100           2HE      LYS 100  -7.282   7.923  12.640
  824    HE3  LYS 100           1HE      LYS 100  -8.462   6.719  13.154
  825    HZ1  LYS 100           3HZ      LYS 100  -6.713   7.490  14.831
  826    HZ2  LYS 100           1HZ      LYS 100  -5.629   6.514  13.962
  827    HZ3  LYS 100           2HZ      LYS 100  -6.999   5.820  14.691
  828    H    ALA 101           H        ALA 101  -5.732   5.837   7.035
  829    HA   ALA 101           HA       ALA 101  -5.323   8.626   7.361
  830    HB1  ALA 101           1HB      ALA 101  -3.356   7.833   6.570
  831    HB2  ALA 101           2HB      ALA 101  -4.064   8.021   4.965
  832    HB3  ALA 101           3HB      ALA 101  -4.138   6.460   5.784
  833    H    THR 102           H        THR 102  -7.170   6.835   4.957
  834    HA   THR 102           HA       THR 102  -7.466   8.958   3.060
  835    HB   THR 102           HB       THR 102  -8.221   6.341   3.113
  836    HG1  THR 102           1HG      THR 102  -9.747   7.911   1.445
  837   HG21  THR 102          3HG2      THR 102 -10.602   6.138   3.169
  838   HG22  THR 102          1HG2      THR 102 -10.819   7.885   3.258
  839   HG23  THR 102          2HG2      THR 102 -10.151   7.006   4.634
  840    H    GLU 103           H        GLU 103  -9.129   8.207   6.071
  841    HA   GLU 103           HA       GLU 103 -11.354   9.984   5.699
  842    HB2  GLU 103           2HB      GLU 103 -11.222   8.204   7.462
  843    HB3  GLU 103           1HB      GLU 103 -10.031   9.192   8.309
  844    HG2  GLU 103           2HG      GLU 103 -11.692  11.048   8.412
  845    HG3  GLU 103           1HG      GLU 103 -12.885   9.985   7.665
  846    HHA  HEC 201           HA       HEC 104   4.788   3.354  -5.710
  847    HHB  HEC 201           HB       HEC 104   1.177   0.163  -1.625
  848    HHC  HEC 201           HC       HEC 104   6.226  -0.880   2.015
  849    HHD  HEC 201           HD       HEC 104   9.873   2.171  -2.169
  850   HMA1  HEC 201          1HMA      HEC 104  -0.122   0.774  -4.127
  851   HMA2  HEC 201          2HMA      HEC 104  -0.085   2.530  -4.288
  852   HMA3  HEC 201          3HMA      HEC 104  -0.037   1.788  -2.687
  853   HAA1  HEC 201          1HAA      HEC 104   2.759   2.062  -6.778
  854   HAA2  HEC 201          2HAA      HEC 104   1.115   2.351  -6.229
  855   HBA1  HEC 201          1HBA      HEC 104   2.811   4.251  -7.323
  856   HBA2  HEC 201          2HBA      HEC 104   2.907   4.574  -5.592
  857   HMB1  HEC 201          1HMB      HEC 104   1.058  -1.853  -0.582
  858   HMB2  HEC 201          2HMB      HEC 104   1.522  -2.575   0.950
  859   HMB3  HEC 201          3HMB      HEC 104   0.536  -1.114   0.928
  860    HAB  HEC 201           HAB      HEC 104   4.481  -1.743   3.076
  861   HBB1  HEC 201          1HBB      HEC 104   1.473  -1.451   2.937
  862   HBB2  HEC 201          2HBB      HEC 104   2.365  -1.934   4.371
  863   HBB3  HEC 201          3HBB      HEC 104   2.391  -2.958   2.942
  864   HMC1  HEC 201          1HMC      HEC 104   8.486  -0.797   2.861
  865   HMC2  HEC 201          2HMC      HEC 104  10.058  -0.791   2.061
  866   HMC3  HEC 201          3HMC      HEC 104   8.810  -1.926   1.546
  867    HAC  HEC 201           HAC      HEC 104  10.878   2.140  -0.219
  868   HBC1  HEC 201          1HBC      HEC 104  12.293   0.127   1.128
  869   HBC2  HEC 201          2HBC      HEC 104  11.236  -0.729   0.005
  870   HBC3  HEC 201          3HBC      HEC 104  12.362   0.487  -0.595
  871   HMD1  HEC 201          1HMD      HEC 104  10.270   4.188  -4.371
  872   HMD2  HEC 201          2HMD      HEC 104   9.864   3.229  -5.792
  873   HMD3  HEC 201          3HMD      HEC 104  10.435   2.432  -4.327
  874   HAD1  HEC 201          1HAD      HEC 104   8.112   5.124  -5.972
  875   HAD2  HEC 201          2HAD      HEC 104   6.361   5.010  -5.947
  876   HBD1  HEC 201          1HBD      HEC 104   6.952   2.769  -7.348
  877   HBD2  HEC 201          2HBD      HEC 104   6.638   4.334  -8.097
  Start of MODEL   10
    1    H1   THR  -5           1HT      THR  -5 -19.427  -3.960   4.935
    2    H2   THR  -5           2HT      THR  -5 -19.783  -5.524   4.372
    3    H3   THR  -5           3HT      THR  -5 -20.978  -4.317   4.353
    4    HA   THR  -5           HA       THR  -5 -20.389  -4.157   2.196
    5    HB   THR  -5           HB       THR  -5 -18.629  -2.417   1.908
    6    HG1  THR  -5           1HG      THR  -5 -18.283  -2.348   4.671
    7   HG21  THR  -5          1HG2      THR  -5 -19.793  -1.177   4.189
    8   HG22  THR  -5          2HG2      THR  -5 -21.001  -2.268   3.509
    9   HG23  THR  -5          3HG2      THR  -5 -20.279  -1.014   2.501
   10    H    GLU  -4           H        GLU  -4 -18.327  -4.140   0.616
   11    HA   GLU  -4           HA       GLU  -4 -17.300  -6.783   0.572
   12    HB2  GLU  -4           2HB      GLU  -4 -17.396  -5.236  -1.397
   13    HB3  GLU  -4           1HB      GLU  -4 -16.046  -4.336  -0.705
   14    HG2  GLU  -4           2HG      GLU  -4 -14.688  -6.427  -0.720
   15    HG3  GLU  -4           1HG      GLU  -4 -16.027  -7.259  -1.516
   16    H    PHE  -3           H        PHE  -3 -16.027  -3.835   2.027
   17    HA   PHE  -3           HA       PHE  -3 -13.555  -5.278   2.824
   18    HB2  PHE  -3           2HB      PHE  -3 -13.348  -2.980   1.894
   19    HB3  PHE  -3           1HB      PHE  -3 -14.331  -2.372   3.227
   20    HD1  PHE  -3           2HD      PHE  -3 -11.098  -3.943   2.329
   21    HD2  PHE  -3           1HD      PHE  -3 -13.436  -2.149   5.454
   22    HE1  PHE  -3           2HE      PHE  -3  -9.079  -3.809   3.764
   23    HE2  PHE  -3           1HE      PHE  -3 -11.418  -2.016   6.888
   24    HZ   PHE  -3           HZ       PHE  -3  -9.240  -2.847   6.044
   25    H    LYS  -2           H        LYS  -2 -13.346  -6.087   4.856
   26    HA   LYS  -2           HA       LYS  -2 -15.532  -5.586   6.789
   27    HB2  LYS  -2           2HB      LYS  -2 -14.653  -7.916   6.273
   28    HB3  LYS  -2           1HB      LYS  -2 -13.166  -7.451   7.101
   29    HG2  LYS  -2           2HG      LYS  -2 -14.606  -6.820   9.096
   30    HG3  LYS  -2           1HG      LYS  -2 -15.955  -7.602   8.269
   31    HD2  LYS  -2           2HD      LYS  -2 -13.317  -8.959   8.903
   32    HD3  LYS  -2           1HD      LYS  -2 -14.777  -9.118   9.880
   33    HE2  LYS  -2           2HE      LYS  -2 -15.732  -9.678   7.366
   34    HE3  LYS  -2           1HE      LYS  -2 -14.108 -10.356   7.290
   35    HZ1  LYS  -2           3HZ      LYS  -2 -14.615 -11.469   9.447
   36    HZ2  LYS  -2           1HZ      LYS  -2 -15.533 -12.026   8.135
   37    HZ3  LYS  -2           2HZ      LYS  -2 -16.229 -10.969   9.268
   38    H    ALA  -1           H        ALA  -1 -15.261  -4.291   8.566
   39    HA   ALA  -1           HA       ALA  -1 -13.112  -2.501   8.840
   40    HB1  ALA  -1           1HB      ALA  -1 -15.165  -2.099  10.045
   41    HB2  ALA  -1           2HB      ALA  -1 -13.878  -2.273  11.238
   42    HB3  ALA  -1           3HB      ALA  -1 -14.993  -3.607  10.942
   43    H    GLY   1           H        GLY   1 -11.068  -3.439   8.742
   44    HA2  GLY   1           2HA      GLY   1 -10.345  -5.799  10.246
   45    HA3  GLY   1           1HA      GLY   1  -9.216  -4.710   9.441
   46    H    SER   2           H        SER   2  -8.844  -5.849  12.072
   47    HA   SER   2           HA       SER   2  -9.529  -4.116  14.203
   48    HB2  SER   2           2HB      SER   2  -6.934  -5.652  13.879
   49    HB3  SER   2           1HB      SER   2  -7.628  -5.080  15.393
   50    HG   SER   2           HG       SER   2  -8.675  -6.894  15.406
   51    H    ALA   3           H        ALA   3  -7.001  -3.882  11.765
   52    HA   ALA   3           HA       ALA   3  -5.739  -2.011  11.115
   53    HB1  ALA   3           1HB      ALA   3  -6.582   0.081  11.568
   54    HB2  ALA   3           2HB      ALA   3  -6.895  -0.298  13.263
   55    HB3  ALA   3           3HB      ALA   3  -7.993  -0.879  12.011
   56    H    LYS   4           H        LYS   4  -6.157  -2.443  14.624
   57    HA   LYS   4           HA       LYS   4  -3.736  -1.191  15.432
   58    HB2  LYS   4           2HB      LYS   4  -5.546  -1.963  16.983
   59    HB3  LYS   4           1HB      LYS   4  -5.032  -3.626  16.696
   60    HG2  LYS   4           2HG      LYS   4  -2.761  -3.043  17.520
   61    HG3  LYS   4           1HG      LYS   4  -3.328  -1.410  17.871
   62    HD2  LYS   4           2HD      LYS   4  -5.069  -2.391  19.378
   63    HD3  LYS   4           1HD      LYS   4  -4.354  -3.980  19.107
   64    HE2  LYS   4           2HE      LYS   4  -2.698  -3.576  20.584
   65    HE3  LYS   4           1HE      LYS   4  -2.330  -2.022  19.836
   66    HZ1  LYS   4           3HZ      LYS   4  -3.198  -2.067  22.239
   67    HZ2  LYS   4           1HZ      LYS   4  -4.718  -2.338  21.534
   68    HZ3  LYS   4           2HZ      LYS   4  -3.849  -0.926  21.161
   69    H    LYS   5           H        LYS   5  -4.358  -4.650  14.709
   70    HA   LYS   5           HA       LYS   5  -1.619  -5.453  14.990
   71    HB2  LYS   5           2HB      LYS   5  -3.860  -6.662  13.335
   72    HB3  LYS   5           1HB      LYS   5  -2.317  -7.451  13.667
   73    HG2  LYS   5           2HG      LYS   5  -2.790  -7.258  16.112
   74    HG3  LYS   5           1HG      LYS   5  -4.377  -6.595  15.720
   75    HD2  LYS   5           2HD      LYS   5  -4.876  -8.673  14.423
   76    HD3  LYS   5           1HD      LYS   5  -3.336  -9.341  14.967
   77    HE2  LYS   5           2HE      LYS   5  -4.364 -10.058  16.834
   78    HE3  LYS   5           1HE      LYS   5  -4.625  -8.373  17.286
   79    HZ1  LYS   5           3HZ      LYS   5  -6.714  -8.354  16.259
   80    HZ2  LYS   5           1HZ      LYS   5  -6.665  -9.823  17.105
   81    HZ3  LYS   5           2HZ      LYS   5  -6.425  -9.805  15.424
   82    H    GLY   6           H        GLY   6  -3.546  -4.423  12.186
   83    HA2  GLY   6           2HA      GLY   6  -1.475  -4.779  10.238
   84    HA3  GLY   6           1HA      GLY   6  -2.877  -3.728  10.052
   85    H    ALA   7           H        ALA   7  -2.263  -2.140  12.447
   86    HA   ALA   7           HA       ALA   7  -0.712  -0.087  11.271
   87    HB1  ALA   7           1HB      ALA   7  -1.334   1.034  13.129
   88    HB2  ALA   7           2HB      ALA   7  -0.445  -0.086  14.160
   89    HB3  ALA   7           3HB      ALA   7  -2.104  -0.452  13.687
   90    H    THR   8           H        THR   8   0.242  -2.684  13.503
   91    HA   THR   8           HA       THR   8   3.017  -1.830  13.587
   92    HB   THR   8           HB       THR   8   3.398  -3.931  14.759
   93    HG1  THR   8           1HG      THR   8   2.208  -5.341  13.547
   94   HG21  THR   8          3HG2      THR   8   2.209  -3.371  16.635
   95   HG22  THR   8          1HG2      THR   8   0.679  -3.276  15.760
   96   HG23  THR   8          2HG2      THR   8   1.829  -1.942  15.672
   97    H    LEU   9           H        LEU   9   1.107  -4.067  11.617
   98    HA   LEU   9           HA       LEU   9   3.270  -5.433  10.348
   99    HB2  LEU   9           2HB      LEU   9   0.643  -5.765  10.207
  100    HB3  LEU   9           1HB      LEU   9   0.786  -4.675   8.830
  101    HG   LEU   9           HG       LEU   9   0.936  -6.967   8.033
  102   HD11  LEU   9          1HD1      LEU   9   2.878  -6.769   6.736
  103   HD12  LEU   9          2HD1      LEU   9   3.788  -6.009   8.042
  104   HD13  LEU   9          3HD1      LEU   9   2.541  -5.099   7.186
  105   HD21  LEU   9          3HD2      LEU   9   3.472  -7.654   9.307
  106   HD22  LEU   9          1HD2      LEU   9   1.991  -8.605   9.174
  107   HD23  LEU   9          2HD2      LEU   9   2.175  -7.438  10.484
  108    H    PHE  10           H        PHE  10   1.592  -2.410   9.625
  109    HA   PHE  10           HA       PHE  10   3.112  -1.767   7.253
  110    HB2  PHE  10           2HB      PHE  10   0.903  -0.756   7.808
  111    HB3  PHE  10           1HB      PHE  10   1.641   0.060   9.185
  112    HD1  PHE  10           1HD      PHE  10   1.438  -0.090   5.506
  113    HD2  PHE  10           2HD      PHE  10   3.157   1.933   8.881
  114    HE1  PHE  10           1HE      PHE  10   2.151   1.770   4.029
  115    HE2  PHE  10           2HE      PHE  10   3.869   3.790   7.403
  116    HZ   PHE  10           HZ       PHE  10   3.371   3.707   4.978
  117    H    LYS  11           H        LYS  11   3.314  -0.760  10.657
  118    HA   LYS  11           HA       LYS  11   5.587   0.938  10.403
  119    HB2  LYS  11           2HB      LYS  11   4.007   0.751  12.388
  120    HB3  LYS  11           1HB      LYS  11   4.869  -0.721  12.827
  121    HG2  LYS  11           2HG      LYS  11   6.994   0.551  12.904
  122    HG3  LYS  11           1HG      LYS  11   6.108   2.029  12.525
  123    HD2  LYS  11           2HD      LYS  11   4.709   1.639  14.577
  124    HD3  LYS  11           1HD      LYS  11   5.769   0.288  14.982
  125    HE2  LYS  11           2HE      LYS  11   6.633   3.174  14.630
  126    HE3  LYS  11           1HE      LYS  11   6.483   2.322  16.167
  127    HZ1  LYS  11           3HZ      LYS  11   8.723   2.146  15.634
  128    HZ2  LYS  11           1HZ      LYS  11   8.422   1.868  13.988
  129    HZ3  LYS  11           2HZ      LYS  11   8.088   0.654  15.130
  130    H    THR  12           H        THR  12   5.319  -2.534  11.051
  131    HA   THR  12           HA       THR  12   8.110  -2.929  11.602
  132    HB   THR  12           HB       THR  12   7.614  -5.317  11.332
  133    HG1  THR  12           1HG      THR  12   6.266  -5.293   9.581
  134   HG21  THR  12          3HG2      THR  12   6.861  -4.952  13.432
  135   HG22  THR  12          1HG2      THR  12   5.247  -5.027  12.727
  136   HG23  THR  12          2HG2      THR  12   6.034  -3.466  12.966
  137    H    ARG  13           H        ARG  13   6.268  -2.971   8.556
  138    HA   ARG  13           HA       ARG  13   8.864  -3.014   7.149
  139    HB2  ARG  13           2HB      ARG  13   6.721  -5.108   6.740
  140    HB3  ARG  13           1HB      ARG  13   8.061  -4.848   5.624
  141    HG2  ARG  13           2HG      ARG  13   9.640  -5.222   7.548
  142    HG3  ARG  13           1HG      ARG  13   8.249  -5.662   8.538
  143    HD2  ARG  13           2HD      ARG  13   7.679  -7.417   6.821
  144    HD3  ARG  13           1HD      ARG  13   9.215  -7.057   6.030
  145    HE   ARG  13           HE       ARG  13   9.740  -7.587   8.774
  146   HH11  ARG  13          1HH2      ARG  13   8.607  -9.102   5.893
  147   HH12  ARG  13          2HH2      ARG  13   9.198 -10.671   6.327
  148   HH21  ARG  13          1HH1      ARG  13  10.517  -9.627   9.359
  149   HH22  ARG  13          2HH1      ARG  13  10.279 -10.969   8.290
  150    H    CYS  14           H        CYS  14   7.454  -0.752   7.095
  151    HA   CYS  14           HA       CYS  14   6.783  -0.468   4.312
  152    HB2  CYS  14           2HB      CYS  14   4.696  -1.596   5.371
  153    HB3  CYS  14           1HB      CYS  14   4.402  -0.015   6.097
  154    H    LEU  15           H        LEU  15   6.298   0.912   7.558
  155    HA   LEU  15           HA       LEU  15   6.040   3.623   6.762
  156    HB2  LEU  15           2HB      LEU  15   5.633   2.787   9.074
  157    HB3  LEU  15           1HB      LEU  15   7.369   2.560   9.274
  158    HG   LEU  15           HG       LEU  15   7.560   5.072   8.634
  159   HD11  LEU  15          1HD1      LEU  15   4.615   4.815   9.295
  160   HD12  LEU  15          2HD1      LEU  15   5.333   5.493   7.833
  161   HD13  LEU  15          3HD1      LEU  15   5.491   6.344   9.368
  162   HD21  LEU  15          3HD2      LEU  15   6.747   3.778  11.162
  163   HD22  LEU  15          1HD2      LEU  15   6.519   5.527  11.118
  164   HD23  LEU  15          2HD2      LEU  15   8.117   4.838  10.831
  165    H    GLN  16           H        GLN  16   8.918   1.627   7.250
  166    HA   GLN  16           HA       GLN  16  10.872   3.675   7.189
  167    HB2  GLN  16           2HB      GLN  16  11.008   0.849   6.095
  168    HB3  GLN  16           1HB      GLN  16  12.406   1.899   6.333
  169    HG2  GLN  16           2HG      GLN  16  11.910   2.049   8.733
  170    HG3  GLN  16           1HG      GLN  16  10.482   1.036   8.513
  171   HE21  GLN  16          1HE2      GLN  16  12.586   0.204  10.250
  172   HE22  GLN  16          2HE2      GLN  16  13.354  -1.146   9.567
  173    H    CYS  17           H        CYS  17   9.175   2.055   4.521
  174    HA   CYS  17           HA       CYS  17  10.725   3.638   2.557
  175    HB2  CYS  17           2HB      CYS  17   8.605   1.502   2.244
  176    HB3  CYS  17           1HB      CYS  17   9.329   2.366   0.888
  177    H    HIS  18           H        HIS  18   7.372   3.290   3.696
  178    HA   HIS  18           HA       HIS  18   6.664   5.714   2.103
  179    HB2  HIS  18           2HB      HIS  18   5.014   3.458   3.261
  180    HB3  HIS  18           1HB      HIS  18   4.286   4.937   2.627
  181    HD1  HIS  18           1HD      HIS  18   5.132   5.515   0.031
  182    HD2  HIS  18           2HD      HIS  18   5.479   1.579   1.342
  183    HE1  HIS  18           1HE      HIS  18   5.344   4.081  -2.056
  184    H    THR  19           H        THR  19   6.333   7.588   3.174
  185    HA   THR  19           HA       THR  19   6.349   7.581   6.122
  186    HB   THR  19           HB       THR  19   6.607   9.987   5.930
  187    HG1  THR  19           1HG      THR  19   6.710  10.450   3.388
  188   HG21  THR  19          3HG2      THR  19   8.262   9.251   3.603
  189   HG22  THR  19          1HG2      THR  19   8.411   8.158   4.978
  190   HG23  THR  19          2HG2      THR  19   8.749   9.878   5.178
  191    H    VAL  20           H        VAL  20   4.070   7.812   3.532
  192    HA   VAL  20           HA       VAL  20   1.745   8.131   3.534
  193    HB   VAL  20           HB       VAL  20   1.889   7.648   6.514
  194   HG11  VAL  20          1HG1      VAL  20  -0.232   8.147   4.826
  195   HG12  VAL  20          2HG1      VAL  20  -0.346   7.285   6.360
  196   HG13  VAL  20          3HG1      VAL  20  -0.185   6.385   4.852
  197   HG21  VAL  20          3HG2      VAL  20   1.756   5.227   5.951
  198   HG22  VAL  20          1HG2      VAL  20   3.269   5.950   5.406
  199   HG23  VAL  20          2HG2      VAL  20   1.978   5.631   4.248
  200    H    GLU  21           H        GLU  21   3.547  10.450   4.088
  201    HA   GLU  21           HA       GLU  21   1.754  12.104   5.809
  202    HB2  GLU  21           2HB      GLU  21   4.543  12.681   4.767
  203    HB3  GLU  21           1HB      GLU  21   3.617  13.724   5.845
  204    HG2  GLU  21           2HG      GLU  21   3.527  11.880   7.512
  205    HG3  GLU  21           1HG      GLU  21   4.533  10.897   6.446
  206    H    LYS  22           H        LYS  22   0.902  14.079   4.974
  207    HA   LYS  22           HA       LYS  22   0.118  14.049   2.236
  208    HB2  LYS  22           2HB      LYS  22  -0.725  16.310   2.634
  209    HB3  LYS  22           1HB      LYS  22  -1.078  15.299   4.035
  210    HG2  LYS  22           2HG      LYS  22   0.972  16.179   5.148
  211    HG3  LYS  22           1HG      LYS  22   1.229  17.249   3.771
  212    HD2  LYS  22           2HD      LYS  22   0.085  18.510   5.493
  213    HD3  LYS  22           1HD      LYS  22  -1.054  18.219   4.177
  214    HE2  LYS  22           2HE      LYS  22  -2.287  16.680   5.399
  215    HE3  LYS  22           1HE      LYS  22  -0.917  16.231   6.415
  216    HZ1  LYS  22           3HZ      LYS  22  -2.167  18.913   6.518
  217    HZ2  LYS  22           1HZ      LYS  22  -1.101  18.214   7.637
  218    HZ3  LYS  22           2HZ      LYS  22  -2.690  17.625   7.496
  219    H    GLY  23           H        GLY  23   2.812  15.625   3.891
  220    HA2  GLY  23           2HA      GLY  23   3.911  16.365   1.207
  221    HA3  GLY  23           1HA      GLY  23   4.077  17.432   2.603
  222    H    GLY  24           H        GLY  24   4.391  13.896   2.513
  223    HA2  GLY  24           2HA      GLY  24   6.723  13.887   4.150
  224    HA3  GLY  24           1HA      GLY  24   6.170  12.522   3.181
  225    HA   PRO  25           HA       PRO  25   9.982  14.754   1.292
  226    HB2  PRO  25           2HB      PRO  25  11.990  13.197   2.281
  227    HB3  PRO  25           1HB      PRO  25  11.418  14.665   3.098
  228    HG2  PRO  25           2HG      PRO  25  10.782  11.811   3.666
  229    HG3  PRO  25           1HG      PRO  25  11.107  13.138   4.791
  230    HD2  PRO  25           2HD      PRO  25   8.580  12.270   4.236
  231    HD3  PRO  25           1HD      PRO  25   8.944  13.955   4.672
  232    H    HIS  26           H        HIS  26   8.547  11.706   1.414
  233    HA   HIS  26           HA       HIS  26   8.539   9.896  -0.062
  234    HB2  HIS  26           2HB      HIS  26  10.075  11.724  -1.932
  235    HB3  HIS  26           1HB      HIS  26   9.127  10.308  -2.371
  236    HD1  HIS  26           1HD      HIS  26   6.522  10.506  -2.223
  237    HD2  HIS  26           2HD      HIS  26   8.550  14.069  -1.459
  238    HE1  HIS  26           1HE      HIS  26   4.794  12.349  -2.336
  239    HE2  HIS  26           2HE      HIS  26   6.014  14.525  -1.864
  240    H    LYS  27           H        LYS  27  10.190   9.254   1.723
  241    HA   LYS  27           HA       LYS  27  12.983   9.297   1.267
  242    HB2  LYS  27           2HB      LYS  27  11.759   8.552   3.372
  243    HB3  LYS  27           1HB      LYS  27  11.495   7.004   2.570
  244    HG2  LYS  27           2HG      LYS  27  13.958   6.778   2.258
  245    HG3  LYS  27           1HG      LYS  27  14.185   8.291   3.133
  246    HD2  LYS  27           2HD      LYS  27  12.986   7.266   5.088
  247    HD3  LYS  27           1HD      LYS  27  12.971   5.735   4.213
  248    HE2  LYS  27           2HE      LYS  27  15.088   5.306   4.840
  249    HE3  LYS  27           1HE      LYS  27  15.630   6.843   4.163
  250    HZ1  LYS  27           3HZ      LYS  27  14.591   6.320   6.886
  251    HZ2  LYS  27           1HZ      LYS  27  14.729   7.886   6.251
  252    HZ3  LYS  27           2HZ      LYS  27  16.117   6.924   6.445
  253    H    VAL  28           H        VAL  28  12.434   6.024   1.433
  254    HA   VAL  28           HA       VAL  28  13.681   5.496  -1.086
  255    HB   VAL  28           HB       VAL  28  12.055   3.661   0.699
  256   HG11  VAL  28          1HG1      VAL  28  13.296   1.853  -0.483
  257   HG12  VAL  28          2HG1      VAL  28  13.970   3.062  -1.577
  258   HG13  VAL  28          3HG1      VAL  28  12.234   2.751  -1.567
  259   HG21  VAL  28          3HG2      VAL  28  13.852   4.104   2.047
  260   HG22  VAL  28          1HG2      VAL  28  14.844   4.676   0.706
  261   HG23  VAL  28          2HG2      VAL  28  14.660   2.946   0.990
  262    H    GLY  29           H        GLY  29  10.277   5.427  -0.065
  263    HA2  GLY  29           2HA      GLY  29   9.533   5.257  -2.961
  264    HA3  GLY  29           1HA      GLY  29   8.624   4.400  -1.716
  265    HA   PRO  30           HA       PRO  30   7.139   8.904  -2.521
  266    HB2  PRO  30           2HB      PRO  30   4.698   8.129  -3.614
  267    HB3  PRO  30           1HB      PRO  30   6.113   8.648  -4.544
  268    HG2  PRO  30           2HG      PRO  30   5.115   5.910  -3.989
  269    HG3  PRO  30           1HG      PRO  30   5.904   6.560  -5.437
  270    HD2  PRO  30           2HD      PRO  30   7.219   4.988  -3.648
  271    HD3  PRO  30           1HD      PRO  30   8.037   6.268  -4.574
  272    H    ASN  31           H        ASN  31   5.549   9.902  -1.167
  273    HA   ASN  31           HA       ASN  31   4.668   8.247   1.080
  274    HB2  ASN  31           2HB      ASN  31   3.920  11.134   0.591
  275    HB3  ASN  31           1HB      ASN  31   4.076  10.292   2.134
  276   HD21  ASN  31          1HD2      ASN  31   6.600   9.018   1.788
  277   HD22  ASN  31          2HD2      ASN  31   7.797  10.207   1.633
  278    H    LEU  32           H        LEU  32   2.535   7.621   1.506
  279    HA   LEU  32           HA       LEU  32   0.633   7.985  -0.749
  280    HB2  LEU  32           2HB      LEU  32   0.581   6.100   1.627
  281    HB3  LEU  32           1HB      LEU  32  -0.667   6.180   0.387
  282    HG   LEU  32           HG       LEU  32   1.203   5.790  -1.320
  283   HD11  LEU  32          1HD1      LEU  32   2.917   4.269   0.316
  284   HD12  LEU  32          2HD1      LEU  32   2.743   5.818   1.137
  285   HD13  LEU  32          3HD1      LEU  32   3.308   5.764  -0.530
  286   HD21  LEU  32          3HD2      LEU  32  -0.383   4.039  -0.797
  287   HD22  LEU  32          1HD2      LEU  32   0.450   3.671   0.712
  288   HD23  LEU  32          2HD2      LEU  32   1.224   3.316  -0.831
  289    H    HIS  33           H        HIS  33  -1.343   8.995  -0.487
  290    HA   HIS  33           HA       HIS  33  -2.510   9.613   2.072
  291    HB2  HIS  33           2HB      HIS  33  -0.596  11.224   2.097
  292    HB3  HIS  33           1HB      HIS  33  -1.219  11.938   0.608
  293    HD1  HIS  33           1HD      HIS  33  -2.576  11.118   4.091
  294    HD2  HIS  33           2HD      HIS  33  -2.945  14.024   1.121
  295    HE1  HIS  33           1HE      HIS  33  -4.152  12.881   5.003
  296    HE2  HIS  33           2HE      HIS  33  -4.383  14.654   3.204
  297    H    GLY  34           H        GLY  34  -4.441   8.936   1.124
  298    HA2  GLY  34           2HA      GLY  34  -6.517   9.547   0.106
  299    HA3  GLY  34           1HA      GLY  34  -5.691  10.866  -0.726
  300    H    ILE  35           H        ILE  35  -3.860   8.083  -0.966
  301    HA   ILE  35           HA       ILE  35  -4.114   7.858  -3.782
  302    HB   ILE  35           HB       ILE  35  -2.233   6.968  -2.309
  303   HG12  ILE  35          2HG1      ILE  35  -3.354   4.906  -4.221
  304   HG13  ILE  35          1HG1      ILE  35  -2.645   6.421  -4.780
  305   HG21  ILE  35          1HG2      ILE  35  -3.851   5.754  -0.774
  306   HG22  ILE  35          2HG2      ILE  35  -2.479   4.791  -1.323
  307   HG23  ILE  35          3HG2      ILE  35  -4.065   4.569  -2.062
  308   HD11  ILE  35          3HD1      ILE  35  -0.546   5.871  -3.591
  309   HD12  ILE  35          1HD1      ILE  35  -0.956   4.632  -4.778
  310   HD13  ILE  35          2HD1      ILE  35  -1.253   4.344  -3.063
  311    H    PHE  36           H        PHE  36  -6.058   6.535  -1.216
  312    HA   PHE  36           HA       PHE  36  -7.204   4.338  -2.654
  313    HB2  PHE  36           2HB      PHE  36  -8.235   6.035  -0.366
  314    HB3  PHE  36           1HB      PHE  36  -9.080   4.614  -0.976
  315    HD1  PHE  36           1HD      PHE  36  -8.082   2.366  -0.788
  316    HD2  PHE  36           2HD      PHE  36  -6.176   5.827   0.911
  317    HE1  PHE  36           1HE      PHE  36  -6.623   0.895   0.573
  318    HE2  PHE  36           2HE      PHE  36  -4.719   4.349   2.274
  319    HZ   PHE  36           HZ       PHE  36  -4.945   1.885   2.100
  320    H    GLY  37           H        GLY  37  -8.801   4.311  -4.184
  321    HA2  GLY  37           2HA      GLY  37 -10.540   5.090  -5.572
  322    HA3  GLY  37           1HA      GLY  37 -10.731   6.461  -4.477
  323    H    ARG  38           H        ARG  38  -7.564   5.814  -5.724
  324    HA   ARG  38           HA       ARG  38  -7.902   7.932  -7.789
  325    HB2  ARG  38           2HB      ARG  38  -5.644   7.817  -5.769
  326    HB3  ARG  38           1HB      ARG  38  -5.823   9.007  -7.056
  327    HG2  ARG  38           2HG      ARG  38  -7.907   8.598  -4.898
  328    HG3  ARG  38           1HG      ARG  38  -6.598   9.770  -4.757
  329    HD2  ARG  38           2HD      ARG  38  -7.384  10.726  -6.989
  330    HD3  ARG  38           1HD      ARG  38  -8.822   9.721  -6.807
  331    HE   ARG  38           HE       ARG  38  -8.296  12.173  -5.370
  332   HH11  ARG  38          1HH2      ARG  38  -9.675   9.018  -5.194
  333   HH12  ARG  38          2HH2      ARG  38 -10.833   9.446  -3.981
  334   HH21  ARG  38          1HH1      ARG  38  -9.800  12.752  -3.786
  335   HH22  ARG  38          2HH1      ARG  38 -10.905  11.560  -3.183
  336    H    HIS  39           H        HIS  39  -6.097   7.938  -9.372
  337    HA   HIS  39           HA       HIS  39  -5.257   5.172  -9.946
  338    HB2  HIS  39           2HB      HIS  39  -4.980   7.748 -11.523
  339    HB3  HIS  39           1HB      HIS  39  -4.453   6.166 -12.100
  340    HD1  HIS  39           1HD      HIS  39  -7.538   8.176 -11.352
  341    HD2  HIS  39           2HD      HIS  39  -6.567   4.397 -12.828
  342    HE1  HIS  39           1HE      HIS  39  -9.678   7.202 -12.298
  343    HE2  HIS  39           2HE      HIS  39  -9.099   4.903 -13.197
  344    H    SER  40           H        SER  40  -2.993   4.672 -10.424
  345    HA   SER  40           HA       SER  40  -1.176   5.645  -8.458
  346    HB2  SER  40           2HB      SER  40  -1.129   3.474  -9.969
  347    HB3  SER  40           1HB      SER  40  -0.170   4.493 -11.037
  348    HG   SER  40           HG       SER  40   0.384   3.534  -8.474
  349    H    GLY  41           H        GLY  41   0.621   7.068  -8.665
  350    HA2  GLY  41           2HA      GLY  41   2.013   8.627  -9.871
  351    HA3  GLY  41           1HA      GLY  41   0.813   8.650 -11.162
  352    H    GLN  42           H        GLN  42  -1.031   8.834  -8.488
  353    HA   GLN  42           HA       GLN  42  -1.714  11.574  -8.853
  354    HB2  GLN  42           2HB      GLN  42  -3.196   9.873  -7.771
  355    HB3  GLN  42           1HB      GLN  42  -2.147   9.914  -6.353
  356    HG2  GLN  42           2HG      GLN  42  -2.553  12.385  -6.191
  357    HG3  GLN  42           1HG      GLN  42  -3.718  12.236  -7.508
  358   HE21  GLN  42          1HE2      GLN  42  -5.789  12.269  -6.627
  359   HE22  GLN  42          2HE2      GLN  42  -6.265  11.437  -5.225
  360    H    ALA  43           H        ALA  43   0.501  10.008  -6.554
  361    HA   ALA  43           HA       ALA  43   1.005  12.239  -4.891
  362    HB1  ALA  43           1HB      ALA  43   2.789  11.032  -4.067
  363    HB2  ALA  43           2HB      ALA  43   3.317  10.517  -5.668
  364    HB3  ALA  43           3HB      ALA  43   1.939   9.729  -4.897
  365    H    GLU  44           H        GLU  44   2.283  14.051  -5.122
  366    HA   GLU  44           HA       GLU  44   3.589  14.427  -7.789
  367    HB2  GLU  44           2HB      GLU  44   2.299  16.487  -5.973
  368    HB3  GLU  44           1HB      GLU  44   3.107  16.841  -7.500
  369    HG2  GLU  44           2HG      GLU  44   0.702  15.021  -7.188
  370    HG3  GLU  44           1HG      GLU  44   0.642  16.686  -7.771
  371    H    GLY  45           H        GLY  45   5.617  15.535  -7.789
  372    HA2  GLY  45           2HA      GLY  45   7.499  16.592  -6.715
  373    HA3  GLY  45           1HA      GLY  45   6.836  16.123  -5.150
  374    H    TYR  46           H        TYR  46   6.540  13.488  -7.144
  375    HA   TYR  46           HA       TYR  46   9.278  12.477  -6.530
  376    HB2  TYR  46           2HB      TYR  46   7.624  11.738  -4.760
  377    HB3  TYR  46           1HB      TYR  46   6.757  10.872  -6.029
  378    HD1  TYR  46           1HD      TYR  46  10.035  11.155  -4.292
  379    HD2  TYR  46           2HD      TYR  46   7.550   8.774  -6.865
  380    HE1  TYR  46           1HE      TYR  46  11.627   9.268  -4.082
  381    HE2  TYR  46           2HE      TYR  46   9.146   6.885  -6.654
  382    HH   TYR  46           HH       TYR  46  10.879   6.085  -5.314
  383    H    SER  47           H        SER  47   9.872  10.612  -7.879
  384    HA   SER  47           HA       SER  47   8.494  10.734 -10.512
  385    HB2  SER  47           2HB      SER  47  10.964  11.103 -10.409
  386    HB3  SER  47           1HB      SER  47  11.153   9.468  -9.782
  387    HG   SER  47           HG       SER  47   9.982  10.212 -12.264
  388    H    TYR  48           H        TYR  48   7.786   8.821 -11.558
  389    HA   TYR  48           HA       TYR  48   7.414   6.496  -9.721
  390    HB2  TYR  48           2HB      TYR  48   5.753   7.618 -11.966
  391    HB3  TYR  48           1HB      TYR  48   5.560   5.941 -11.457
  392    HD1  TYR  48           2HD      TYR  48   5.461   9.466 -10.253
  393    HD2  TYR  48           1HD      TYR  48   4.409   5.376  -9.462
  394    HE1  TYR  48           2HE      TYR  48   4.067  10.194  -8.335
  395    HE2  TYR  48           1HE      TYR  48   3.017   6.105  -7.544
  396    HH   TYR  48           HH       TYR  48   2.190   7.836  -6.431
  397    H    THR  49           H        THR  49   8.005   4.451 -10.412
  398    HA   THR  49           HA       THR  49   9.960   4.280 -12.548
  399    HB   THR  49           HB       THR  49   8.594   2.035 -11.031
  400    HG1  THR  49           1HG      THR  49  11.010   3.427 -10.510
  401   HG21  THR  49          3HG2      THR  49  10.456   2.074 -13.194
  402   HG22  THR  49          1HG2      THR  49   9.859   0.677 -12.295
  403   HG23  THR  49          2HG2      THR  49  11.309   1.520 -11.754
  404    H    ASP  50           H        ASP  50   9.715   3.218 -14.559
  405    HA   ASP  50           HA       ASP  50   7.310   3.543 -15.952
  406    HB2  ASP  50           2HB      ASP  50   9.549   1.571 -16.421
  407    HB3  ASP  50           1HB      ASP  50   8.248   1.861 -17.575
  408    H    ALA  51           H        ALA  51   8.418   0.754 -14.076
  409    HA   ALA  51           HA       ALA  51   6.674  -1.252 -14.806
  410    HB1  ALA  51           1HB      ALA  51   7.052  -2.205 -12.728
  411    HB2  ALA  51           2HB      ALA  51   6.878  -0.670 -11.877
  412    HB3  ALA  51           3HB      ALA  51   8.360  -1.023 -12.767
  413    H    ASN  52           H        ASN  52   5.792   0.845 -12.041
  414    HA   ASN  52           HA       ASN  52   3.053   0.220 -12.047
  415    HB2  ASN  52           2HB      ASN  52   4.118   1.477 -10.228
  416    HB3  ASN  52           1HB      ASN  52   4.343   2.860 -11.300
  417   HD21  ASN  52          1HD2      ASN  52   1.707   0.777  -9.955
  418   HD22  ASN  52          2HD2      ASN  52   0.542   2.012  -9.956
  419    H    ILE  53           H        ILE  53   4.730   2.759 -13.921
  420    HA   ILE  53           HA       ILE  53   2.443   4.048 -14.958
  421    HB   ILE  53           HB       ILE  53   5.079   3.506 -16.353
  422   HG12  ILE  53          2HG1      ILE  53   4.195   5.886 -14.690
  423   HG13  ILE  53          1HG1      ILE  53   5.265   4.610 -14.108
  424   HG21  ILE  53          1HG2      ILE  53   2.887   5.540 -16.806
  425   HG22  ILE  53          2HG2      ILE  53   3.405   4.275 -17.918
  426   HG23  ILE  53          3HG2      ILE  53   4.480   5.625 -17.558
  427   HD11  ILE  53          3HD1      ILE  53   7.014   5.682 -15.027
  428   HD12  ILE  53          1HD1      ILE  53   5.938   6.924 -15.664
  429   HD13  ILE  53          2HD1      ILE  53   6.283   5.481 -16.618
  430    H    LYS  54           H        LYS  54   4.318   1.370 -16.436
  431    HA   LYS  54           HA       LYS  54   2.487   0.935 -18.590
  432    HB2  LYS  54           2HB      LYS  54   4.824   0.023 -18.479
  433    HB3  LYS  54           1HB      LYS  54   4.274  -1.121 -17.255
  434    HG2  LYS  54           2HG      LYS  54   2.596  -2.003 -18.858
  435    HG3  LYS  54           1HG      LYS  54   3.213  -0.899 -20.085
  436    HD2  LYS  54           2HD      LYS  54   5.474  -1.951 -19.816
  437    HD3  LYS  54           1HD      LYS  54   4.744  -3.135 -18.729
  438    HE2  LYS  54           2HE      LYS  54   4.674  -4.241 -20.796
  439    HE3  LYS  54           1HE      LYS  54   3.063  -3.530 -20.691
  440    HZ1  LYS  54           3HZ      LYS  54   4.949  -3.126 -22.674
  441    HZ2  LYS  54           1HZ      LYS  54   4.881  -1.672 -21.802
  442    HZ3  LYS  54           2HZ      LYS  54   3.465  -2.322 -22.483
  443    H    LYS  55           H        LYS  55   2.677  -0.378 -15.310
  444    HA   LYS  55           HA       LYS  55   0.187  -1.930 -15.787
  445    HB2  LYS  55           2HB      LYS  55   2.103  -1.901 -13.432
  446    HB3  LYS  55           1HB      LYS  55   0.678  -2.932 -13.563
  447    HG2  LYS  55           2HG      LYS  55   1.618  -3.887 -15.674
  448    HG3  LYS  55           1HG      LYS  55   3.082  -2.939 -15.409
  449    HD2  LYS  55           2HD      LYS  55   3.363  -4.061 -13.198
  450    HD3  LYS  55           1HD      LYS  55   1.969  -5.076 -13.570
  451    HE2  LYS  55           2HE      LYS  55   4.550  -4.933 -15.153
  452    HE3  LYS  55           1HE      LYS  55   4.021  -6.276 -14.140
  453    HZ1  LYS  55           3HZ      LYS  55   3.347  -6.945 -16.216
  454    HZ2  LYS  55           1HZ      LYS  55   2.967  -5.376 -16.733
  455    HZ3  LYS  55           2HZ      LYS  55   1.937  -6.184 -15.650
  456    H    ASN  56           H        ASN  56   0.361   1.087 -15.469
  457    HA   ASN  56           HA       ASN  56  -0.437   2.067 -13.010
  458    HB2  ASN  56           2HB      ASN  56  -0.304   3.305 -15.275
  459    HB3  ASN  56           1HB      ASN  56  -1.983   2.806 -15.497
  460   HD21  ASN  56          1HD2      ASN  56  -1.662   3.061 -12.218
  461   HD22  ASN  56          2HD2      ASN  56  -2.129   4.677 -12.000
  462    H    VAL  57           H        VAL  57  -2.052   1.570 -11.625
  463    HA   VAL  57           HA       VAL  57  -4.532   0.322 -12.714
  464    HB   VAL  57           HB       VAL  57  -3.037  -1.447 -11.827
  465   HG11  VAL  57          1HG1      VAL  57  -1.935  -1.223  -9.861
  466   HG12  VAL  57          2HG1      VAL  57  -3.379  -0.643  -9.029
  467   HG13  VAL  57          3HG1      VAL  57  -2.381   0.482  -9.947
  468   HG21  VAL  57          3HG2      VAL  57  -5.458  -0.857 -10.089
  469   HG22  VAL  57          1HG2      VAL  57  -4.674  -2.430 -10.251
  470   HG23  VAL  57          2HG2      VAL  57  -5.487  -1.703 -11.637
  471    H    LEU  58           H        LEU  58  -6.415   0.681 -11.413
  472    HA   LEU  58           HA       LEU  58  -6.423   3.207  -9.990
  473    HB2  LEU  58           2HB      LEU  58  -8.399   2.415 -11.244
  474    HB3  LEU  58           1HB      LEU  58  -8.538   1.032 -10.159
  475    HG   LEU  58           HG       LEU  58  -8.833   2.612  -8.244
  476   HD11  LEU  58          1HD1      LEU  58  -8.027   4.695  -8.655
  477   HD12  LEU  58          2HD1      LEU  58  -9.608   4.980  -9.383
  478   HD13  LEU  58          3HD1      LEU  58  -8.237   4.535 -10.399
  479   HD21  LEU  58          3HD2      LEU  58 -10.722   2.773 -10.602
  480   HD22  LEU  58          1HD2      LEU  58 -11.115   3.465  -9.028
  481   HD23  LEU  58          2HD2      LEU  58 -10.843   1.729  -9.185
  482    H    TRP  59           H        TRP  59  -6.206   3.534  -7.796
  483    HA   TRP  59           HA       TRP  59  -5.642   1.130  -6.162
  484    HB2  TRP  59           2HB      TRP  59  -5.169   4.081  -5.674
  485    HB3  TRP  59           1HB      TRP  59  -4.786   2.815  -4.506
  486    HD1  TRP  59           HD       TRP  59  -3.375   4.599  -7.417
  487    HE1  TRP  59           1HE      TRP  59  -1.214   3.450  -8.221
  488    HE3  TRP  59           3HE      TRP  59  -3.675   0.227  -4.804
  489    HZ2  TRP  59           2HZ      TRP  59   0.201   0.999  -7.814
  490    HZ3  TRP  59           3HZ      TRP  59  -1.910  -1.492  -5.029
  491    HH2  TRP  59           HH       TRP  59   0.026  -1.113  -6.528
  492    H    ASP  60           H        ASP  60  -7.142   0.352  -4.837
  493    HA   ASP  60           HA       ASP  60  -9.002   2.129  -3.414
  494    HB2  ASP  60           2HB      ASP  60 -11.006   0.899  -4.170
  495    HB3  ASP  60           1HB      ASP  60 -10.195   1.670  -5.533
  496    H    GLU  61           H        GLU  61 -10.491   0.554  -1.991
  497    HA   GLU  61           HA       GLU  61  -8.741  -0.901  -0.295
  498    HB2  GLU  61           2HB      GLU  61 -11.746  -1.141  -0.608
  499    HB3  GLU  61           1HB      GLU  61 -10.817  -1.781   0.746
  500    HG2  GLU  61           2HG      GLU  61 -10.008   0.507   1.257
  501    HG3  GLU  61           1HG      GLU  61 -10.992   1.134  -0.066
  502    H    ASN  62           H        ASN  62 -10.853  -2.054  -2.922
  503    HA   ASN  62           HA       ASN  62 -10.347  -4.853  -2.417
  504    HB2  ASN  62           2HB      ASN  62 -12.287  -3.999  -3.732
  505    HB3  ASN  62           1HB      ASN  62 -11.172  -3.517  -5.011
  506   HD21  ASN  62          1HD2      ASN  62 -10.445  -5.129  -6.457
  507   HD22  ASN  62          2HD2      ASN  62 -10.859  -6.771  -6.321
  508    H    ASN  63           H        ASN  63  -9.133  -2.705  -4.996
  509    HA   ASN  63           HA       ASN  63  -7.260  -4.530  -6.076
  510    HB2  ASN  63           2HB      ASN  63  -8.037  -2.356  -7.104
  511    HB3  ASN  63           1HB      ASN  63  -6.936  -1.525  -6.003
  512   HD21  ASN  63          1HD2      ASN  63  -4.970  -1.072  -6.981
  513   HD22  ASN  63          2HD2      ASN  63  -4.212  -2.040  -8.151
  514    H    MET  64           H        MET  64  -6.882  -2.174  -3.445
  515    HA   MET  64           HA       MET  64  -4.067  -2.403  -3.148
  516    HB2  MET  64           2HB      MET  64  -6.251  -1.843  -1.132
  517    HB3  MET  64           1HB      MET  64  -4.535  -1.763  -0.733
  518    HG2  MET  64           2HG      MET  64  -5.575  -0.278  -3.126
  519    HG3  MET  64           1HG      MET  64  -5.766   0.415  -1.515
  520    HE1  MET  64           3HE      MET  64  -2.912   2.605  -2.004
  521    HE2  MET  64           1HE      MET  64  -3.964   2.094  -0.675
  522    HE3  MET  64           2HE      MET  64  -4.635   2.362  -2.282
  523    H    SER  65           H        SER  65  -6.690  -4.386  -1.788
  524    HA   SER  65           HA       SER  65  -5.062  -5.997  -0.098
  525    HB2  SER  65           2HB      SER  65  -7.559  -6.818  -1.607
  526    HB3  SER  65           1HB      SER  65  -6.882  -7.641  -0.206
  527    HG   SER  65           HG       SER  65  -8.635  -6.061   0.166
  528    H    GLU  66           H        GLU  66  -5.879  -6.325  -3.545
  529    HA   GLU  66           HA       GLU  66  -4.573  -8.853  -3.916
  530    HB2  GLU  66           2HB      GLU  66  -5.133  -6.597  -5.864
  531    HB3  GLU  66           1HB      GLU  66  -4.591  -8.207  -6.328
  532    HG2  GLU  66           2HG      GLU  66  -7.126  -7.618  -4.775
  533    HG3  GLU  66           1HG      GLU  66  -7.058  -7.967  -6.503
  534    H    HIS  67           H        HIS  67  -3.457  -5.517  -3.966
  535    HA   HIS  67           HA       HIS  67  -0.930  -5.890  -5.192
  536    HB2  HIS  67           2HB      HIS  67  -2.060  -3.704  -4.579
  537    HB3  HIS  67           1HB      HIS  67  -1.519  -3.979  -2.923
  538    HD1  HIS  67           1HD      HIS  67   0.027  -3.887  -6.414
  539    HD2  HIS  67           2HD      HIS  67   1.009  -2.957  -2.467
  540    HE1  HIS  67           1HE      HIS  67   2.332  -2.844  -6.474
  541    HE2  HIS  67           2HE      HIS  67   2.943  -2.278  -4.081
  542    H    LEU  68           H        LEU  68  -1.806  -6.024  -1.737
  543    HA   LEU  68           HA       LEU  68   0.846  -6.669  -0.846
  544    HB2  LEU  68           2HB      LEU  68  -1.893  -6.865   0.381
  545    HB3  LEU  68           1HB      LEU  68  -0.489  -7.527   1.215
  546    HG   LEU  68           HG       LEU  68   0.618  -5.368   1.191
  547   HD11  LEU  68          1HD1      LEU  68  -1.703  -4.614  -0.578
  548   HD12  LEU  68          2HD1      LEU  68   0.021  -4.421  -0.891
  549   HD13  LEU  68          3HD1      LEU  68  -0.783  -3.389   0.292
  550   HD21  LEU  68          3HD2      LEU  68  -0.914  -4.086   2.597
  551   HD22  LEU  68          1HD2      LEU  68  -1.083  -5.801   2.974
  552   HD23  LEU  68          2HD2      LEU  68  -2.291  -4.994   1.972
  553    H    THR  69           H        THR  69  -1.833  -8.656  -1.997
  554    HA   THR  69           HA       THR  69  -0.931 -11.155  -0.982
  555    HB   THR  69           HB       THR  69  -2.323 -10.704  -3.634
  556    HG1  THR  69           1HG      THR  69  -4.001 -10.172  -2.514
  557   HG21  THR  69          3HG2      THR  69  -1.971 -13.037  -1.759
  558   HG22  THR  69          1HG2      THR  69  -1.705 -12.973  -3.502
  559   HG23  THR  69          2HG2      THR  69  -3.347 -12.960  -2.860
  560    H    ASN  70           H        ASN  70  -0.020  -9.408  -3.941
  561    HA   ASN  70           HA       ASN  70   2.438 -11.029  -4.093
  562    HB2  ASN  70           2HB      ASN  70   2.021 -11.617  -6.485
  563    HB3  ASN  70           1HB      ASN  70   0.892 -12.400  -5.379
  564   HD21  ASN  70          1HD2      ASN  70  -0.008 -12.185  -7.964
  565   HD22  ASN  70          2HD2      ASN  70  -1.172 -10.957  -8.104
  566    HA   PRO  71           HA       PRO  71   2.596  -6.488  -5.394
  567    HB2  PRO  71           2HB      PRO  71   4.808  -5.928  -3.820
  568    HB3  PRO  71           1HB      PRO  71   3.124  -5.642  -3.349
  569    HG2  PRO  71           2HG      PRO  71   4.950  -7.848  -2.593
  570    HG3  PRO  71           1HG      PRO  71   3.674  -7.058  -1.656
  571    HD2  PRO  71           2HD      PRO  71   3.369  -9.520  -2.780
  572    HD3  PRO  71           1HD      PRO  71   2.016  -8.408  -2.515
  573    H    ALA  72           H        ALA  72   4.922  -9.100  -5.261
  574    HA   ALA  72           HA       ALA  72   7.087  -7.849  -6.633
  575    HB1  ALA  72           1HB      ALA  72   6.489 -10.426  -5.680
  576    HB2  ALA  72           2HB      ALA  72   8.010  -9.892  -6.398
  577    HB3  ALA  72           3HB      ALA  72   6.765 -10.624  -7.411
  578    H    LYS  73           H        LYS  73   4.923 -10.263  -8.135
  579    HA   LYS  73           HA       LYS  73   5.474  -9.441 -10.803
  580    HB2  LYS  73           2HB      LYS  73   3.028 -10.826  -9.663
  581    HB3  LYS  73           1HB      LYS  73   3.394 -10.695 -11.383
  582    HG2  LYS  73           2HG      LYS  73   5.569 -11.851 -10.971
  583    HG3  LYS  73           1HG      LYS  73   5.094 -12.072  -9.285
  584    HD2  LYS  73           2HD      LYS  73   3.060 -13.299 -10.063
  585    HD3  LYS  73           1HD      LYS  73   3.654 -13.165 -11.718
  586    HE2  LYS  73           2HE      LYS  73   4.699 -15.136 -11.307
  587    HE3  LYS  73           1HE      LYS  73   5.853 -14.163 -10.393
  588    HZ1  LYS  73           3HZ      LYS  73   5.241 -15.582  -8.764
  589    HZ2  LYS  73           1HZ      LYS  73   3.717 -15.898  -9.438
  590    HZ3  LYS  73           2HZ      LYS  73   3.978 -14.464  -8.565
  591    H    TYR  74           H        TYR  74   3.346  -8.149  -8.391
  592    HA   TYR  74           HA       TYR  74   1.423  -6.802  -9.948
  593    HB2  TYR  74           2HB      TYR  74   1.626  -6.985  -7.396
  594    HB3  TYR  74           1HB      TYR  74   2.736  -5.619  -7.497
  595    HD1  TYR  74           1HD      TYR  74   1.903  -3.474  -8.630
  596    HD2  TYR  74           2HD      TYR  74  -0.705  -6.659  -7.427
  597    HE1  TYR  74           1HE      TYR  74  -0.015  -1.910  -8.667
  598    HE2  TYR  74           2HE      TYR  74  -2.630  -5.097  -7.468
  599    HH   TYR  74           HH       TYR  74  -2.183  -1.663  -7.824
  600    H    ILE  75           H        ILE  75   4.678  -5.659  -8.954
  601    HA   ILE  75           HA       ILE  75   4.647  -3.829 -11.302
  602    HB   ILE  75           HB       ILE  75   5.826  -2.149  -9.641
  603   HG12  ILE  75          2HG1      ILE  75   3.986  -3.681  -7.784
  604   HG13  ILE  75          1HG1      ILE  75   5.742  -3.803  -7.759
  605   HG21  ILE  75          1HG2      ILE  75   3.210  -1.628  -8.926
  606   HG22  ILE  75          2HG2      ILE  75   3.016  -2.592 -10.387
  607   HG23  ILE  75          3HG2      ILE  75   3.973  -1.112 -10.428
  608   HD11  ILE  75          3HD1      ILE  75   5.693  -1.210  -7.559
  609   HD12  ILE  75          1HD1      ILE  75   5.307  -2.166  -6.129
  610   HD13  ILE  75          2HD1      ILE  75   4.013  -1.434  -7.078
  611    HA   PRO  76           HA       PRO  76   8.631  -6.141 -10.791
  612    HB2  PRO  76           2HB      PRO  76   8.477  -6.406 -13.702
  613    HB3  PRO  76           1HB      PRO  76   8.561  -7.676 -12.469
  614    HG2  PRO  76           2HG      PRO  76   6.350  -7.173 -13.958
  615    HG3  PRO  76           1HG      PRO  76   6.302  -7.869 -12.330
  616    HD2  PRO  76           2HD      PRO  76   5.712  -5.063 -13.195
  617    HD3  PRO  76           1HD      PRO  76   4.958  -6.027 -11.906
  618    H    GLY  77           H        GLY  77  10.627  -5.139 -11.016
  619    HA2  GLY  77           2HA      GLY  77  12.264  -3.800 -12.161
  620    HA3  GLY  77           1HA      GLY  77  10.973  -3.100 -13.130
  621    H    THR  78           H        THR  78   9.910  -3.104  -9.967
  622    HA   THR  78           HA       THR  78  10.666  -0.240  -9.707
  623    HB   THR  78           HB       THR  78   8.239  -0.995  -9.574
  624    HG1  THR  78           1HG      THR  78   7.927   0.681  -8.338
  625   HG21  THR  78          3HG2      THR  78   7.548  -2.451  -7.999
  626   HG22  THR  78          1HG2      THR  78   8.499  -1.669  -6.741
  627   HG23  THR  78          2HG2      THR  78   9.246  -2.867  -7.798
  628    H    LYS  79           H        LYS  79  11.026   0.474  -7.335
  629    HA   LYS  79           HA       LYS  79  13.133  -1.274  -6.231
  630    HB2  LYS  79           2HB      LYS  79  12.273   1.537  -5.487
  631    HB3  LYS  79           1HB      LYS  79  13.667   0.693  -4.816
  632    HG2  LYS  79           2HG      LYS  79  14.577   0.457  -7.135
  633    HG3  LYS  79           1HG      LYS  79  13.234   1.438  -7.723
  634    HD2  LYS  79           2HD      LYS  79  15.179   2.362  -5.592
  635    HD3  LYS  79           1HD      LYS  79  15.352   2.742  -7.306
  636    HE2  LYS  79           2HE      LYS  79  12.918   3.627  -7.138
  637    HE3  LYS  79           1HE      LYS  79  13.190   3.623  -5.396
  638    HZ1  LYS  79           3HZ      LYS  79  14.324   5.497  -5.586
  639    HZ2  LYS  79           1HZ      LYS  79  14.007   5.531  -7.252
  640    HZ3  LYS  79           2HZ      LYS  79  15.412   4.773  -6.672
  641    H    MET  80           H        MET  80   9.990  -1.515  -5.854
  642    HA   MET  80           HA       MET  80   9.667  -1.243  -2.976
  643    HB2  MET  80           2HB      MET  80   7.769  -1.164  -4.639
  644    HB3  MET  80           1HB      MET  80   7.988  -2.895  -4.886
  645    HG2  MET  80           2HG      MET  80   6.995  -3.423  -2.911
  646    HG3  MET  80           1HG      MET  80   7.791  -2.106  -2.052
  647    HE1  MET  80           3HE      MET  80   4.478  -3.384  -3.533
  648    HE2  MET  80           1HE      MET  80   3.583  -2.313  -2.447
  649    HE3  MET  80           2HE      MET  80   4.901  -3.299  -1.826
  650    H    ALA  81           H        ALA  81  10.463  -2.638  -1.492
  651    HA   ALA  81           HA       ALA  81  11.155  -5.409  -2.385
  652    HB1  ALA  81           1HB      ALA  81  13.004  -3.837  -1.571
  653    HB2  ALA  81           2HB      ALA  81  12.913  -5.411  -0.781
  654    HB3  ALA  81           3HB      ALA  81  12.274  -3.980   0.028
  655    H    PHE  82           H        PHE  82   8.510  -4.483  -1.391
  656    HA   PHE  82           HA       PHE  82   8.335  -5.669   1.311
  657    HB2  PHE  82           2HB      PHE  82   7.002  -3.632   0.661
  658    HB3  PHE  82           1HB      PHE  82   6.110  -4.644  -0.469
  659    HD1  PHE  82           1HD      PHE  82   6.861  -4.071   3.115
  660    HD2  PHE  82           2HD      PHE  82   4.445  -6.198   0.280
  661    HE1  PHE  82           1HE      PHE  82   5.357  -4.810   4.945
  662    HE2  PHE  82           2HE      PHE  82   2.943  -6.940   2.107
  663    HZ   PHE  82           HZ       PHE  82   3.400  -6.243   4.442
  664    H    GLY  83           H        GLY  83   7.709  -7.759   1.666
  665    HA2  GLY  83           2HA      GLY  83   7.169  -9.462  -0.674
  666    HA3  GLY  83           1HA      GLY  83   7.397 -10.023   0.984
  667    H    GLY  84           H        GLY  84   5.324 -11.202  -0.196
  668    HA2  GLY  84           2HA      GLY  84   2.885  -9.604   0.307
  669    HA3  GLY  84           1HA      GLY  84   2.930 -11.203  -0.441
  670    H    LEU  85           H        LEU  85   1.164 -10.520   1.707
  671    HA   LEU  85           HA       LEU  85   2.374 -11.906   4.052
  672    HB2  LEU  85           2HB      LEU  85  -0.294 -10.474   3.832
  673    HB3  LEU  85           1HB      LEU  85   0.460 -11.064   5.313
  674    HG   LEU  85           HG       LEU  85   1.542  -8.898   3.487
  675   HD11  LEU  85          1HD1      LEU  85   0.586  -8.793   6.363
  676   HD12  LEU  85          2HD1      LEU  85  -0.358  -8.253   4.975
  677   HD13  LEU  85          3HD1      LEU  85   1.144  -7.429   5.395
  678   HD21  LEU  85          3HD2      LEU  85   3.156  -8.722   5.562
  679   HD22  LEU  85          1HD2      LEU  85   3.482  -9.915   4.305
  680   HD23  LEU  85          2HD2      LEU  85   2.707 -10.409   5.810
  681    H    LYS  86           H        LYS  86   1.940 -14.034   4.299
  682    HA   LYS  86           HA       LYS  86   0.198 -15.477   2.542
  683    HB2  LYS  86           2HB      LYS  86   1.349 -16.278   5.234
  684    HB3  LYS  86           1HB      LYS  86   0.593 -17.384   4.087
  685    HG2  LYS  86           2HG      LYS  86   2.293 -16.629   2.374
  686    HG3  LYS  86           1HG      LYS  86   3.114 -15.759   3.670
  687    HD2  LYS  86           2HD      LYS  86   2.520 -18.734   3.698
  688    HD3  LYS  86           1HD      LYS  86   4.081 -18.027   3.282
  689    HE2  LYS  86           2HE      LYS  86   3.592 -16.782   5.654
  690    HE3  LYS  86           1HE      LYS  86   2.792 -18.331   5.930
  691    HZ1  LYS  86           3HZ      LYS  86   5.266 -18.137   6.474
  692    HZ2  LYS  86           1HZ      LYS  86   5.514 -18.205   4.797
  693    HZ3  LYS  86           2HZ      LYS  86   4.751 -19.496   5.594
  694    H    LYS  87           H        LYS  87  -0.273 -14.142   5.796
  695    HA   LYS  87           HA       LYS  87  -2.957 -15.350   5.947
  696    HB2  LYS  87           2HB      LYS  87  -1.451 -13.538   7.850
  697    HB3  LYS  87           1HB      LYS  87  -3.054 -14.204   8.165
  698    HG2  LYS  87           2HG      LYS  87  -2.093 -16.504   7.842
  699    HG3  LYS  87           1HG      LYS  87  -0.494 -15.764   7.736
  700    HD2  LYS  87           2HD      LYS  87  -0.865 -14.740   9.983
  701    HD3  LYS  87           1HD      LYS  87  -2.393 -15.615  10.091
  702    HE2  LYS  87           2HE      LYS  87  -1.134 -17.755   9.789
  703    HE3  LYS  87           1HE      LYS  87   0.370 -16.836   9.834
  704    HZ1  LYS  87           3HZ      LYS  87  -0.116 -17.701  12.006
  705    HZ2  LYS  87           1HZ      LYS  87  -1.662 -17.001  11.992
  706    HZ3  LYS  87           2HZ      LYS  87  -0.283 -16.010  12.035
  707    H    GLU  88           H        GLU  88  -4.764 -14.321   5.339
  708    HA   GLU  88           HA       GLU  88  -4.638 -11.666   4.166
  709    HB2  GLU  88           2HB      GLU  88  -6.987 -13.483   4.781
  710    HB3  GLU  88           1HB      GLU  88  -7.098 -11.981   3.863
  711    HG2  GLU  88           2HG      GLU  88  -5.458 -12.882   2.229
  712    HG3  GLU  88           1HG      GLU  88  -5.427 -14.400   3.125
  713    H    LYS  89           H        LYS  89  -5.592 -12.988   7.275
  714    HA   LYS  89           HA       LYS  89  -7.225 -10.905   8.244
  715    HB2  LYS  89           2HB      LYS  89  -5.186 -12.581   9.738
  716    HB3  LYS  89           1HB      LYS  89  -6.425 -11.588  10.508
  717    HG2  LYS  89           2HG      LYS  89  -8.170 -12.875   9.269
  718    HG3  LYS  89           1HG      LYS  89  -6.901 -13.921   8.633
  719    HD2  LYS  89           2HD      LYS  89  -6.246 -14.488  10.974
  720    HD3  LYS  89           1HD      LYS  89  -7.604 -13.526  11.556
  721    HE2  LYS  89           2HE      LYS  89  -9.158 -15.082  10.913
  722    HE3  LYS  89           1HE      LYS  89  -8.236 -15.564   9.487
  723    HZ1  LYS  89           3HZ      LYS  89  -8.379 -17.235  11.350
  724    HZ2  LYS  89           1HZ      LYS  89  -7.356 -16.214  12.237
  725    HZ3  LYS  89           2HZ      LYS  89  -6.818 -16.890  10.775
  726    H    ASP  90           H        ASP  90  -3.646 -11.154   8.411
  727    HA   ASP  90           HA       ASP  90  -3.296  -8.635   9.733
  728    HB2  ASP  90           2HB      ASP  90  -1.428 -10.154   7.880
  729    HB3  ASP  90           1HB      ASP  90  -0.961  -8.783   8.882
  730    H    ARG  91           H        ARG  91  -3.467  -9.579   6.329
  731    HA   ARG  91           HA       ARG  91  -2.755  -7.075   5.185
  732    HB2  ARG  91           2HB      ARG  91  -2.950  -9.203   3.917
  733    HB3  ARG  91           1HB      ARG  91  -4.702  -9.131   4.107
  734    HG2  ARG  91           2HG      ARG  91  -4.758  -6.982   2.916
  735    HG3  ARG  91           1HG      ARG  91  -3.003  -7.023   2.743
  736    HD2  ARG  91           2HD      ARG  91  -3.943  -7.834   0.682
  737    HD3  ARG  91           1HD      ARG  91  -3.261  -9.222   1.528
  738    HE   ARG  91           HE       ARG  91  -6.113  -8.746   2.048
  739   HH11  ARG  91          1HH2      ARG  91  -3.669 -10.294   0.173
  740   HH12  ARG  91          2HH2      ARG  91  -4.705 -11.575  -0.364
  741   HH21  ARG  91          1HH1      ARG  91  -7.479 -10.409   1.360
  742   HH22  ARG  91          2HH1      ARG  91  -6.862 -11.639   0.308
  743    H    ASN  92           H        ASN  92  -5.957  -8.341   6.156
  744    HA   ASN  92           HA       ASN  92  -7.497  -6.163   5.185
  745    HB2  ASN  92           2HB      ASN  92  -8.417  -8.319   6.104
  746    HB3  ASN  92           1HB      ASN  92  -8.032  -7.732   7.723
  747   HD21  ASN  92          1HD2      ASN  92  -9.917  -6.822   4.792
  748   HD22  ASN  92          2HD2      ASN  92 -11.101  -5.952   5.642
  749    H    ASP  93           H        ASP  93  -5.986  -6.631   8.390
  750    HA   ASP  93           HA       ASP  93  -6.833  -4.094   9.429
  751    HB2  ASP  93           2HB      ASP  93  -4.511  -5.893  10.176
  752    HB3  ASP  93           1HB      ASP  93  -5.016  -4.488  11.109
  753    H    LEU  94           H        LEU  94  -3.911  -5.167   7.715
  754    HA   LEU  94           HA       LEU  94  -2.379  -2.806   8.017
  755    HB2  LEU  94           2HB      LEU  94  -1.644  -5.014   7.004
  756    HB3  LEU  94           1HB      LEU  94  -2.449  -4.516   5.519
  757    HG   LEU  94           HG       LEU  94  -0.388  -2.786   6.903
  758   HD11  LEU  94          1HD1      LEU  94   1.321  -3.704   5.531
  759   HD12  LEU  94          2HD1      LEU  94   0.161  -4.599   4.551
  760   HD13  LEU  94          3HD1      LEU  94   0.478  -5.092   6.215
  761   HD21  LEU  94          3HD2      LEU  94  -1.256  -1.357   5.356
  762   HD22  LEU  94          1HD2      LEU  94  -1.977  -2.655   4.406
  763   HD23  LEU  94          2HD2      LEU  94  -0.270  -2.272   4.219
  764    H    ILE  95           H        ILE  95  -4.766  -3.646   5.477
  765    HA   ILE  95           HA       ILE  95  -4.483  -1.162   4.059
  766    HB   ILE  95           HB       ILE  95  -6.901  -2.975   4.243
  767   HG12  ILE  95          2HG1      ILE  95  -4.663  -2.902   2.195
  768   HG13  ILE  95          1HG1      ILE  95  -4.813  -4.110   3.471
  769   HG21  ILE  95          1HG2      ILE  95  -6.553  -0.434   3.038
  770   HG22  ILE  95          2HG2      ILE  95  -7.912  -1.538   2.837
  771   HG23  ILE  95          3HG2      ILE  95  -6.542  -1.614   1.729
  772   HD11  ILE  95          3HD1      ILE  95  -6.301  -5.286   2.257
  773   HD12  ILE  95          1HD1      ILE  95  -6.013  -4.178   0.915
  774   HD13  ILE  95          2HD1      ILE  95  -7.318  -3.860   2.054
  775    H    THR  96           H        THR  96  -6.478  -2.219   6.758
  776    HA   THR  96           HA       THR  96  -8.229  -0.016   6.952
  777    HB   THR  96           HB       THR  96  -7.012  -1.532   9.275
  778    HG1  THR  96           1HG      THR  96  -8.514  -3.069   8.888
  779   HG21  THR  96          3HG2      THR  96  -9.555   0.044   8.860
  780   HG22  THR  96          1HG2      THR  96  -8.300   0.304  10.073
  781   HG23  THR  96          2HG2      THR  96  -9.359  -1.102  10.187
  782    H    TYR  97           H        TYR  97  -4.925  -0.440   8.241
  783    HA   TYR  97           HA       TYR  97  -4.836   2.020   9.698
  784    HB2  TYR  97           2HB      TYR  97  -3.152   0.178   9.904
  785    HB3  TYR  97           1HB      TYR  97  -2.532   0.616   8.312
  786    HD1  TYR  97           1HD      TYR  97  -3.025   1.823  11.788
  787    HD2  TYR  97           2HD      TYR  97  -1.135   2.536   7.999
  788    HE1  TYR  97           1HE      TYR  97  -1.627   3.595  12.818
  789    HE2  TYR  97           2HE      TYR  97   0.261   4.309   9.028
  790    HH   TYR  97           HH       TYR  97  -0.401   5.744  11.880
  791    H    LEU  98           H        LEU  98  -3.658   1.262   6.392
  792    HA   LEU  98           HA       LEU  98  -3.033   4.005   5.768
  793    HB2  LEU  98           2HB      LEU  98  -3.665   1.648   3.964
  794    HB3  LEU  98           1HB      LEU  98  -3.054   3.201   3.391
  795    HG   LEU  98           HG       LEU  98  -1.648   1.386   5.377
  796   HD11  LEU  98          1HD1      LEU  98  -1.691   1.524   2.458
  797   HD12  LEU  98          2HD1      LEU  98  -0.991   0.292   3.508
  798   HD13  LEU  98          3HD1      LEU  98  -0.066   1.742   3.111
  799   HD21  LEU  98          3HD2      LEU  98   0.219   3.134   4.496
  800   HD22  LEU  98          1HD2      LEU  98  -0.762   3.432   5.932
  801   HD23  LEU  98          2HD2      LEU  98  -1.213   4.160   4.391
  802    H    LYS  99           H        LYS  99  -5.918   2.026   5.542
  803    HA   LYS  99           HA       LYS  99  -7.514   3.637   3.864
  804    HB2  LYS  99           2HB      LYS  99  -8.148   1.385   4.782
  805    HB3  LYS  99           1HB      LYS  99  -8.419   2.150   6.347
  806    HG2  LYS  99           2HG      LYS  99 -10.086   3.664   5.263
  807    HG3  LYS  99           1HG      LYS  99  -9.884   2.748   3.770
  808    HD2  LYS  99           2HD      LYS  99 -10.607   0.696   4.909
  809    HD3  LYS  99           1HD      LYS  99 -10.781   1.586   6.422
  810    HE2  LYS  99           2HE      LYS  99 -12.782   1.213   4.543
  811    HE3  LYS  99           1HE      LYS  99 -12.786   2.434   5.815
  812    HZ1  LYS  99           3HZ      LYS  99 -11.657   3.949   4.289
  813    HZ2  LYS  99           1HZ      LYS  99 -13.158   3.451   3.675
  814    HZ3  LYS  99           2HZ      LYS  99 -11.724   2.776   3.062
  815    H    LYS 100           H        LYS 100  -6.947   3.846   7.374
  816    HA   LYS 100           HA       LYS 100  -8.715   6.013   7.907
  817    HB2  LYS 100           2HB      LYS 100  -7.613   4.602   9.645
  818    HB3  LYS 100           1HB      LYS 100  -6.080   5.386   9.266
  819    HG2  LYS 100           2HG      LYS 100  -7.116   7.589   9.817
  820    HG3  LYS 100           1HG      LYS 100  -8.581   6.739  10.313
  821    HD2  LYS 100           2HD      LYS 100  -7.163   5.409  11.918
  822    HD3  LYS 100           1HD      LYS 100  -5.822   6.482  11.528
  823    HE2  LYS 100           2HE      LYS 100  -7.624   8.363  12.085
  824    HE3  LYS 100           1HE      LYS 100  -8.332   7.064  13.045
  825    HZ1  LYS 100           3HZ      LYS 100  -5.821   6.804  13.770
  826    HZ2  LYS 100           1HZ      LYS 100  -6.874   7.876  14.555
  827    HZ3  LYS 100           2HZ      LYS 100  -5.789   8.457  13.384
  828    H    ALA 101           H        ALA 101  -5.331   5.935   6.882
  829    HA   ALA 101           HA       ALA 101  -4.768   8.707   7.095
  830    HB1  ALA 101           1HB      ALA 101  -3.376   6.495   6.247
  831    HB2  ALA 101           2HB      ALA 101  -2.798   8.155   6.107
  832    HB3  ALA 101           3HB      ALA 101  -3.599   7.382   4.739
  833    H    THR 102           H        THR 102  -6.645   6.938   4.728
  834    HA   THR 102           HA       THR 102  -6.598   8.714   2.550
  835    HB   THR 102           HB       THR 102  -7.896   6.447   2.929
  836    HG1  THR 102           1HG      THR 102  -8.298   8.598   1.269
  837   HG21  THR 102          3HG2      THR 102 -10.135   8.430   3.368
  838   HG22  THR 102          1HG2      THR 102  -9.365   7.564   4.697
  839   HG23  THR 102          2HG2      THR 102 -10.215   6.670   3.438
  840    H    GLU 103           H        GLU 103  -8.480   8.924   5.558
  841    HA   GLU 103           HA       GLU 103 -10.178  11.061   4.945
  842    HB2  GLU 103           2HB      GLU 103 -10.120   9.826   7.127
  843    HB3  GLU 103           1HB      GLU 103  -8.662  10.724   7.550
  844    HG2  GLU 103           2HG      GLU 103  -9.930  12.852   7.258
  845    HG3  GLU 103           1HG      GLU 103 -11.388  11.909   6.953
  846    HHA  HEC 201           HA       HEC 104   4.813   2.894  -5.575
  847    HHB  HEC 201           HB       HEC 104   1.168   0.041  -1.268
  848    HHC  HEC 201           HC       HEC 104   6.303  -1.449   2.081
  849    HHD  HEC 201           HD       HEC 104   9.966   1.230  -2.337
  850   HMA1  HEC 201          1HMA      HEC 104  -0.234   0.833  -3.688
  851   HMA2  HEC 201          2HMA      HEC 104  -0.009   2.577  -3.825
  852   HMA3  HEC 201          3HMA      HEC 104   0.061   1.800  -2.242
  853   HAA1  HEC 201          1HAA      HEC 104   2.610   1.718  -6.506
  854   HAA2  HEC 201          2HAA      HEC 104   1.044   2.209  -5.885
  855   HBA1  HEC 201          1HBA      HEC 104   2.966   3.855  -7.094
  856   HBA2  HEC 201          2HBA      HEC 104   3.009   4.270  -5.381
  857   HMB1  HEC 201          1HMB      HEC 104   0.559  -1.182   1.276
  858   HMB2  HEC 201          2HMB      HEC 104   0.959  -2.004  -0.229
  859   HMB3  HEC 201          3HMB      HEC 104   1.418  -2.721   1.309
  860    HAB  HEC 201           HAB      HEC 104   4.516  -2.252   3.200
  861   HBB1  HEC 201          1HBB      HEC 104   2.260  -3.057   3.332
  862   HBB2  HEC 201          2HBB      HEC 104   1.609  -1.420   3.242
  863   HBB3  HEC 201          3HBB      HEC 104   2.485  -1.941   4.672
  864   HMC1  HEC 201          1HMC      HEC 104   8.945  -2.731   1.387
  865   HMC2  HEC 201          2HMC      HEC 104   8.477  -1.696   2.735
  866   HMC3  HEC 201          3HMC      HEC 104  10.100  -1.586   2.057
  867    HAC  HEC 201           HAC      HEC 104  11.057   1.156  -0.435
  868   HBC1  HEC 201          1HBC      HEC 104  12.422  -0.909   0.847
  869   HBC2  HEC 201          2HBC      HEC 104  11.220  -1.735  -0.144
  870   HBC3  HEC 201          3HBC      HEC 104  12.366  -0.623  -0.893
  871   HMD1  HEC 201          1HMD      HEC 104  10.624   2.423  -4.175
  872   HMD2  HEC 201          2HMD      HEC 104   9.973   2.880  -5.748
  873   HMD3  HEC 201          3HMD      HEC 104  10.037   1.180  -5.282
  874   HAD1  HEC 201          1HAD      HEC 104   8.266   4.379  -5.980
  875   HAD2  HEC 201          2HAD      HEC 104   6.512   4.401  -5.882
  876   HBD1  HEC 201          1HBD      HEC 104   8.079   2.426  -7.554
  877   HBD2  HEC 201          2HBD      HEC 104   6.332   2.665  -7.553
  Start of MODEL   11
    1    H1   THR  -5           1HT      THR  -5 -17.903  -1.473   2.271
    2    H2   THR  -5           2HT      THR  -5 -18.357  -2.868   1.415
    3    H3   THR  -5           3HT      THR  -5 -16.990  -1.982   0.935
    4    HA   THR  -5           HA       THR  -5 -15.916  -2.516   3.069
    5    HB   THR  -5           HB       THR  -5 -16.919  -4.163   4.515
    6    HG1  THR  -5           1HG      THR  -5 -19.087  -4.239   2.696
    7   HG21  THR  -5          1HG2      THR  -5 -19.055  -2.174   3.701
    8   HG22  THR  -5          2HG2      THR  -5 -17.703  -1.817   4.776
    9   HG23  THR  -5          3HG2      THR  -5 -18.928  -2.990   5.260
   10    H    GLU  -4           H        GLU  -4 -14.579  -3.119   1.225
   11    HA   GLU  -4           HA       GLU  -4 -15.008  -5.461  -0.349
   12    HB2  GLU  -4           2HB      GLU  -4 -12.428  -4.062   0.420
   13    HB3  GLU  -4           1HB      GLU  -4 -12.552  -5.314  -0.816
   14    HG2  GLU  -4           2HG      GLU  -4 -14.075  -2.690  -0.843
   15    HG3  GLU  -4           1HG      GLU  -4 -12.633  -3.034  -1.800
   16    H    PHE  -3           H        PHE  -3 -13.573  -4.988   2.829
   17    HA   PHE  -3           HA       PHE  -3 -13.238  -7.948   3.024
   18    HB2  PHE  -3           2HB      PHE  -3 -11.390  -7.487   4.635
   19    HB3  PHE  -3           1HB      PHE  -3 -11.052  -6.913   3.003
   20    HD1  PHE  -3           1HD      PHE  -3 -11.092  -4.517   2.467
   21    HD2  PHE  -3           2HD      PHE  -3 -11.790  -5.934   6.456
   22    HE1  PHE  -3           1HE      PHE  -3 -10.730  -2.224   3.344
   23    HE2  PHE  -3           2HE      PHE  -3 -11.429  -3.641   7.333
   24    HZ   PHE  -3           HZ       PHE  -3 -10.899  -1.789   5.780
   25    H    LYS  -2           H        LYS  -2 -13.281  -8.658   5.412
   26    HA   LYS  -2           HA       LYS  -2 -15.792  -8.196   6.524
   27    HB2  LYS  -2           2HB      LYS  -2 -14.315 -10.041   7.210
   28    HB3  LYS  -2           1HB      LYS  -2 -13.248  -8.893   8.016
   29    HG2  LYS  -2           2HG      LYS  -2 -15.027  -8.246   9.551
   30    HG3  LYS  -2           1HG      LYS  -2 -16.175  -9.283   8.700
   31    HD2  LYS  -2           2HD      LYS  -2 -15.411 -10.478  10.661
   32    HD3  LYS  -2           1HD      LYS  -2 -14.693 -11.246   9.244
   33    HE2  LYS  -2           2HE      LYS  -2 -12.571 -10.329   9.664
   34    HE3  LYS  -2           1HE      LYS  -2 -13.223  -9.055  10.696
   35    HZ1  LYS  -2           3HZ      LYS  -2 -12.300 -10.583  12.167
   36    HZ2  LYS  -2           1HZ      LYS  -2 -12.879 -11.924  11.307
   37    HZ3  LYS  -2           2HZ      LYS  -2 -13.957 -10.957  12.196
   38    H    ALA  -1           H        ALA  -1 -12.758  -6.710   7.763
   39    HA   ALA  -1           HA       ALA  -1 -13.562  -4.087   8.022
   40    HB1  ALA  -1           1HB      ALA  -1 -14.922  -5.850   9.991
   41    HB2  ALA  -1           2HB      ALA  -1 -15.458  -4.320   9.296
   42    HB3  ALA  -1           3HB      ALA  -1 -14.285  -4.328  10.612
   43    H    GLY   1           H        GLY   1 -11.269  -5.999   8.095
   44    HA2  GLY   1           2HA      GLY   1  -9.796  -6.188  10.395
   45    HA3  GLY   1           1HA      GLY   1  -9.046  -5.744   8.860
   46    H    SER   2           H        SER   2 -10.093  -4.588  11.942
   47    HA   SER   2           HA       SER   2  -8.979  -1.896  11.260
   48    HB2  SER   2           2HB      SER   2 -10.688  -0.810  12.500
   49    HB3  SER   2           1HB      SER   2 -11.539  -2.011  11.533
   50    HG   SER   2           HG       SER   2 -10.704  -3.122  13.820
   51    H    ALA   3           H        ALA   3  -7.646  -4.202  12.449
   52    HA   ALA   3           HA       ALA   3  -7.386  -3.391  15.291
   53    HB1  ALA   3           1HB      ALA   3  -7.651  -5.849  14.449
   54    HB2  ALA   3           2HB      ALA   3  -6.469  -5.507  15.713
   55    HB3  ALA   3           3HB      ALA   3  -5.940  -5.714  14.044
   56    H    LYS   4           H        LYS   4  -5.370  -2.831  16.182
   57    HA   LYS   4           HA       LYS   4  -3.674  -1.192  14.627
   58    HB2  LYS   4           2HB      LYS   4  -3.841  -1.144  17.123
   59    HB3  LYS   4           1HB      LYS   4  -2.932  -2.655  17.178
   60    HG2  LYS   4           2HG      LYS   4  -1.063  -1.548  15.972
   61    HG3  LYS   4           1HG      LYS   4  -1.964  -0.033  16.001
   62    HD2  LYS   4           2HD      LYS   4  -2.026  -0.178  18.502
   63    HD3  LYS   4           1HD      LYS   4  -0.984  -1.600  18.404
   64    HE2  LYS   4           2HE      LYS   4   0.468   0.267  18.786
   65    HE3  LYS   4           1HE      LYS   4   0.650  -0.160  17.084
   66    HZ1  LYS   4           3HZ      LYS   4  -0.708   2.146  18.289
   67    HZ2  LYS   4           1HZ      LYS   4  -1.276   1.550  16.806
   68    HZ3  LYS   4           2HZ      LYS   4   0.331   2.085  16.945
   69    H    LYS   5           H        LYS   5  -3.631  -4.658  15.118
   70    HA   LYS   5           HA       LYS   5  -0.996  -5.361  14.611
   71    HB2  LYS   5           2HB      LYS   5  -3.484  -6.603  13.392
   72    HB3  LYS   5           1HB      LYS   5  -1.892  -7.361  13.415
   73    HG2  LYS   5           2HG      LYS   5  -1.896  -7.202  15.909
   74    HG3  LYS   5           1HG      LYS   5  -3.540  -6.567  15.832
   75    HD2  LYS   5           2HD      LYS   5  -4.240  -8.643  14.629
   76    HD3  LYS   5           1HD      LYS   5  -2.612  -9.283  14.855
   77    HE2  LYS   5           2HE      LYS   5  -4.545  -8.491  17.053
   78    HE3  LYS   5           1HE      LYS   5  -4.077 -10.135  16.619
   79    HZ1  LYS   5           3HZ      LYS   5  -1.731  -8.722  17.011
   80    HZ2  LYS   5           1HZ      LYS   5  -2.382  -9.932  18.007
   81    HZ3  LYS   5           2HZ      LYS   5  -2.747  -8.300  18.305
   82    H    GLY   6           H        GLY   6  -3.449  -4.591  12.094
   83    HA2  GLY   6           2HA      GLY   6  -1.642  -4.771   9.895
   84    HA3  GLY   6           1HA      GLY   6  -3.128  -3.819   9.901
   85    H    ALA   7           H        ALA   7  -2.367  -2.157  12.164
   86    HA   ALA   7           HA       ALA   7  -0.997  -0.067  10.776
   87    HB1  ALA   7           1HB      ALA   7  -1.089   1.146  12.834
   88    HB2  ALA   7           2HB      ALA   7  -1.173  -0.337  13.783
   89    HB3  ALA   7           3HB      ALA   7  -2.548   0.155  12.797
   90    H    THR   8           H        THR   8   0.127  -2.258  13.369
   91    HA   THR   8           HA       THR   8   2.806  -1.293  13.433
   92    HB   THR   8           HB       THR   8   1.893  -4.138  13.959
   93    HG1  THR   8           1HG      THR   8   0.608  -2.664  15.103
   94   HG21  THR   8          3HG2      THR   8   4.235  -2.443  14.795
   95   HG22  THR   8          1HG2      THR   8   4.248  -4.036  14.043
   96   HG23  THR   8          2HG2      THR   8   3.747  -3.861  15.723
   97    H    LEU   9           H        LEU   9   1.211  -3.787  11.469
   98    HA   LEU   9           HA       LEU   9   3.479  -4.883  10.191
   99    HB2  LEU   9           2HB      LEU   9   1.105  -5.669   9.893
  100    HB3  LEU   9           1HB      LEU   9   0.811  -4.254   8.885
  101    HG   LEU   9           HG       LEU   9   2.972  -5.143   7.609
  102   HD11  LEU   9          1HD1      LEU   9   3.271  -7.494   7.693
  103   HD12  LEU   9          2HD1      LEU   9   1.764  -7.733   8.577
  104   HD13  LEU   9          3HD1      LEU   9   3.151  -7.000   9.383
  105   HD21  LEU   9          3HD2      LEU   9   0.319  -6.567   7.262
  106   HD22  LEU   9          1HD2      LEU   9   1.520  -6.214   6.021
  107   HD23  LEU   9          2HD2      LEU   9   0.592  -4.903   6.743
  108    H    PHE  10           H        PHE  10   1.620  -1.959   9.489
  109    HA   PHE  10           HA       PHE  10   3.021  -1.152   7.135
  110    HB2  PHE  10           2HB      PHE  10   0.873  -0.156   8.004
  111    HB3  PHE  10           1HB      PHE  10   1.805   0.626   9.276
  112    HD1  PHE  10           1HD      PHE  10   1.288   0.432   5.604
  113    HD2  PHE  10           2HD      PHE  10   3.119   2.573   8.846
  114    HE1  PHE  10           1HE      PHE  10   1.833   2.300   4.066
  115    HE2  PHE  10           2HE      PHE  10   3.658   4.437   7.304
  116    HZ   PHE  10           HZ       PHE  10   3.028   4.296   4.919
  117    H    LYS  11           H        LYS  11   3.504  -0.388  10.568
  118    HA   LYS  11           HA       LYS  11   5.827   1.249  10.236
  119    HB2  LYS  11           2HB      LYS  11   4.363   1.032  12.315
  120    HB3  LYS  11           1HB      LYS  11   5.189  -0.493  12.626
  121    HG2  LYS  11           2HG      LYS  11   7.368   0.691  12.618
  122    HG3  LYS  11           1HG      LYS  11   6.522   2.218  12.369
  123    HD2  LYS  11           2HD      LYS  11   5.245   1.786  14.489
  124    HD3  LYS  11           1HD      LYS  11   6.269   0.375  14.760
  125    HE2  LYS  11           2HE      LYS  11   8.232   1.710  14.963
  126    HE3  LYS  11           1HE      LYS  11   7.419   3.134  14.312
  127    HZ1  LYS  11           3HZ      LYS  11   6.980   1.832  16.935
  128    HZ2  LYS  11           1HZ      LYS  11   5.903   2.971  16.287
  129    HZ3  LYS  11           2HZ      LYS  11   7.506   3.418  16.631
  130    H    THR  12           H        THR  12   5.395  -2.231  10.704
  131    HA   THR  12           HA       THR  12   8.171  -2.846  11.079
  132    HB   THR  12           HB       THR  12   7.514  -5.158  10.714
  133    HG1  THR  12           1HG      THR  12   5.405  -3.897   9.400
  134   HG21  THR  12          3HG2      THR  12   6.677  -4.936  12.794
  135   HG22  THR  12          1HG2      THR  12   5.092  -4.748  12.042
  136   HG23  THR  12          2HG2      THR  12   6.053  -3.324  12.442
  137    H    ARG  13           H        ARG  13   6.173  -2.646   8.127
  138    HA   ARG  13           HA       ARG  13   8.677  -2.592   6.568
  139    HB2  ARG  13           2HB      ARG  13   6.533  -4.689   6.154
  140    HB3  ARG  13           1HB      ARG  13   7.822  -4.355   4.999
  141    HG2  ARG  13           2HG      ARG  13   9.485  -4.822   6.832
  142    HG3  ARG  13           1HG      ARG  13   8.140  -5.336   7.849
  143    HD2  ARG  13           2HD      ARG  13   7.514  -6.994   6.063
  144    HD3  ARG  13           1HD      ARG  13   9.003  -6.567   5.221
  145    HE   ARG  13           HE       ARG  13  10.207  -7.812   6.828
  146   HH11  ARG  13          1HH2      ARG  13   6.990  -7.112   7.850
  147   HH12  ARG  13          2HH2      ARG  13   7.075  -8.120   9.255
  148   HH21  ARG  13          1HH1      ARG  13  10.337  -9.132   8.657
  149   HH22  ARG  13          2HH1      ARG  13   8.970  -9.263   9.713
  150    H    CYS  14           H        CYS  14   7.324  -0.354   6.686
  151    HA   CYS  14           HA       CYS  14   6.369   0.062   4.006
  152    HB2  CYS  14           2HB      CYS  14   4.416  -1.123   5.307
  153    HB3  CYS  14           1HB      CYS  14   4.182   0.476   6.010
  154    H    LEU  15           H        LEU  15   6.068   1.299   7.341
  155    HA   LEU  15           HA       LEU  15   5.799   4.037   6.686
  156    HB2  LEU  15           2HB      LEU  15   5.498   3.124   8.971
  157    HB3  LEU  15           1HB      LEU  15   7.234   2.842   9.074
  158    HG   LEU  15           HG       LEU  15   7.496   5.364   8.579
  159   HD11  LEU  15          1HD1      LEU  15   5.290   5.932   7.828
  160   HD12  LEU  15          2HD1      LEU  15   5.479   6.673   9.415
  161   HD13  LEU  15          3HD1      LEU  15   4.549   5.185   9.245
  162   HD21  LEU  15          3HD2      LEU  15   6.718   5.862  11.040
  163   HD22  LEU  15          1HD2      LEU  15   8.051   4.742  10.753
  164   HD23  LEU  15          2HD2      LEU  15   6.435   4.122  11.094
  165    H    GLN  16           H        GLN  16   8.714   2.045   6.989
  166    HA   GLN  16           HA       GLN  16  10.640   4.120   6.879
  167    HB2  GLN  16           2HB      GLN  16  10.764   1.310   5.745
  168    HB3  GLN  16           1HB      GLN  16  12.156   2.375   5.940
  169    HG2  GLN  16           2HG      GLN  16  11.757   2.488   8.359
  170    HG3  GLN  16           1HG      GLN  16  10.334   1.461   8.184
  171   HE21  GLN  16          1HE2      GLN  16  12.501   0.625   9.830
  172   HE22  GLN  16          2HE2      GLN  16  13.262  -0.704   9.096
  173    H    CYS  17           H        CYS  17   8.803   2.551   4.292
  174    HA   CYS  17           HA       CYS  17  10.256   4.167   2.274
  175    HB2  CYS  17           2HB      CYS  17   8.172   1.990   1.992
  176    HB3  CYS  17           1HB      CYS  17   8.932   2.828   0.638
  177    H    HIS  18           H        HIS  18   6.930   3.698   3.489
  178    HA   HIS  18           HA       HIS  18   6.144   6.154   1.972
  179    HB2  HIS  18           2HB      HIS  18   4.506   3.850   3.077
  180    HB3  HIS  18           1HB      HIS  18   3.792   5.321   2.408
  181    HD1  HIS  18           1HD      HIS  18   4.586   5.853  -0.190
  182    HD2  HIS  18           2HD      HIS  18   5.122   1.963   1.199
  183    HE1  HIS  18           1HE      HIS  18   4.834   4.382  -2.247
  184    H    THR  19           H        THR  19   5.869   7.976   3.160
  185    HA   THR  19           HA       THR  19   5.804   7.774   6.106
  186    HB   THR  19           HB       THR  19   6.167  10.167   6.093
  187    HG1  THR  19           1HG      THR  19   4.834  10.854   4.495
  188   HG21  THR  19          3HG2      THR  19   7.985   8.441   5.245
  189   HG22  THR  19          1HG2      THR  19   8.296  10.175   5.177
  190   HG23  THR  19          2HG2      THR  19   7.788   9.311   3.724
  191    H    VAL  20           H        VAL  20   3.603   8.190   3.493
  192    HA   VAL  20           HA       VAL  20   1.282   8.525   3.467
  193    HB   VAL  20           HB       VAL  20   1.306   8.222   6.466
  194   HG11  VAL  20          1HG1      VAL  20  -0.592   7.195   4.339
  195   HG12  VAL  20          2HG1      VAL  20  -0.812   8.723   5.193
  196   HG13  VAL  20          3HG1      VAL  20  -0.854   7.200   6.083
  197   HG21  VAL  20          3HG2      VAL  20   1.086   5.707   5.874
  198   HG22  VAL  20          1HG2      VAL  20   2.700   6.417   5.843
  199   HG23  VAL  20          2HG2      VAL  20   1.823   6.151   4.335
  200    H    GLU  21           H        GLU  21   3.401  10.531   5.185
  201    HA   GLU  21           HA       GLU  21   1.607  12.398   6.380
  202    HB2  GLU  21           2HB      GLU  21   4.337  12.853   5.137
  203    HB3  GLU  21           1HB      GLU  21   3.491  14.017   6.160
  204    HG2  GLU  21           2HG      GLU  21   3.439  12.343   7.991
  205    HG3  GLU  21           1HG      GLU  21   4.346  11.223   6.973
  206    H    LYS  22           H        LYS  22   0.399  14.057   5.514
  207    HA   LYS  22           HA       LYS  22  -0.003  14.065   2.624
  208    HB2  LYS  22           2HB      LYS  22  -1.770  15.656   3.064
  209    HB3  LYS  22           1HB      LYS  22  -1.848  14.404   4.303
  210    HG2  LYS  22           2HG      LYS  22  -0.497  15.891   5.807
  211    HG3  LYS  22           1HG      LYS  22  -0.618  17.161   4.588
  212    HD2  LYS  22           2HD      LYS  22  -3.147  16.866   4.716
  213    HD3  LYS  22           1HD      LYS  22  -2.867  15.881   6.153
  214    HE2  LYS  22           2HE      LYS  22  -2.823  17.791   7.348
  215    HE3  LYS  22           1HE      LYS  22  -1.306  18.181   6.538
  216    HZ1  LYS  22           3HZ      LYS  22  -3.268  18.794   4.723
  217    HZ2  LYS  22           1HZ      LYS  22  -2.369  19.895   5.647
  218    HZ3  LYS  22           2HZ      LYS  22  -3.878  19.352   6.207
  219    H    GLY  23           H        GLY  23   1.444  16.275   5.006
  220    HA2  GLY  23           2HA      GLY  23   2.222  18.097   2.790
  221    HA3  GLY  23           1HA      GLY  23   2.315  18.482   4.508
  222    H    GLY  24           H        GLY  24   3.480  15.477   4.494
  223    HA2  GLY  24           2HA      GLY  24   6.226  16.348   4.736
  224    HA3  GLY  24           1HA      GLY  24   5.673  14.676   4.805
  225    HA   PRO  25           HA       PRO  25   7.546  15.822   0.543
  226    HB2  PRO  25           2HB      PRO  25  10.152  15.138   0.873
  227    HB3  PRO  25           1HB      PRO  25   9.545  16.764   1.244
  228    HG2  PRO  25           2HG      PRO  25  10.119  14.495   3.090
  229    HG3  PRO  25           1HG      PRO  25  10.477  16.219   3.277
  230    HD2  PRO  25           2HD      PRO  25   8.337  15.015   4.484
  231    HD3  PRO  25           1HD      PRO  25   8.342  16.727   4.006
  232    H    HIS  26           H        HIS  26   9.323  14.077  -0.595
  233    HA   HIS  26           HA       HIS  26   7.975  11.457  -0.168
  234    HB2  HIS  26           2HB      HIS  26   9.668  12.472  -2.474
  235    HB3  HIS  26           1HB      HIS  26   8.917  10.879  -2.398
  236    HD1  HIS  26           1HD      HIS  26   6.268  10.813  -2.412
  237    HD2  HIS  26           2HD      HIS  26   7.930  14.557  -3.200
  238    HE1  HIS  26           1HE      HIS  26   4.412  12.232  -3.390
  239    HE2  HIS  26           2HE      HIS  26   5.410  14.513  -3.870
  240    H    LYS  27           H        LYS  27   9.225  10.750   1.651
  241    HA   LYS  27           HA       LYS  27  12.069  10.839   1.793
  242    HB2  LYS  27           2HB      LYS  27  10.515  10.263   3.695
  243    HB3  LYS  27           1HB      LYS  27  10.282   8.682   2.950
  244    HG2  LYS  27           2HG      LYS  27  12.735   8.290   3.064
  245    HG3  LYS  27           1HG      LYS  27  12.924   9.841   3.883
  246    HD2  LYS  27           2HD      LYS  27  11.353   9.023   5.663
  247    HD3  LYS  27           1HD      LYS  27  11.365   7.441   4.881
  248    HE2  LYS  27           2HE      LYS  27  13.104   7.066   6.323
  249    HE3  LYS  27           1HE      LYS  27  14.028   7.877   5.059
  250    HZ1  LYS  27           3HZ      LYS  27  14.323   8.754   7.384
  251    HZ2  LYS  27           1HZ      LYS  27  12.735   9.346   7.283
  252    HZ3  LYS  27           2HZ      LYS  27  13.922   9.910   6.204
  253    H    VAL  28           H        VAL  28   9.856   8.406   0.454
  254    HA   VAL  28           HA       VAL  28  12.040   7.420  -1.271
  255    HB   VAL  28           HB       VAL  28  10.459   5.345   0.216
  256   HG11  VAL  28          1HG1      VAL  28  12.151   3.917  -0.487
  257   HG12  VAL  28          2HG1      VAL  28  13.358   5.203  -0.535
  258   HG13  VAL  28          3HG1      VAL  28  12.144   5.086  -1.807
  259   HG21  VAL  28          3HG2      VAL  28  11.385   6.801   1.981
  260   HG22  VAL  28          1HG2      VAL  28  12.982   6.689   1.240
  261   HG23  VAL  28          2HG2      VAL  28  12.233   5.256   1.940
  262    H    GLY  29           H        GLY  29   8.853   6.133  -0.285
  263    HA2  GLY  29           2HA      GLY  29   8.086   5.745  -3.068
  264    HA3  GLY  29           1HA      GLY  29   7.062   5.448  -1.662
  265    HA   PRO  30           HA       PRO  30   6.101   9.519  -4.112
  266    HB2  PRO  30           2HB      PRO  30   3.607   8.598  -4.969
  267    HB3  PRO  30           1HB      PRO  30   5.078   8.659  -5.957
  268    HG2  PRO  30           2HG      PRO  30   3.875   6.369  -4.496
  269    HG3  PRO  30           1HG      PRO  30   4.690   6.411  -6.070
  270    HD2  PRO  30           2HD      PRO  30   5.953   5.471  -3.882
  271    HD3  PRO  30           1HD      PRO  30   6.827   6.404  -5.117
  272    H    ASN  31           H        ASN  31   5.212   7.874  -1.430
  273    HA   ASN  31           HA       ASN  31   3.959   8.494   0.443
  274    HB2  ASN  31           2HB      ASN  31   4.608  10.940  -0.889
  275    HB3  ASN  31           1HB      ASN  31   2.951  11.055  -0.296
  276   HD21  ASN  31          1HD2      ASN  31   5.988   9.563   0.990
  277   HD22  ASN  31          2HD2      ASN  31   5.853  10.274   2.525
  278    H    LEU  32           H        LEU  32   1.963   7.646   0.821
  279    HA   LEU  32           HA       LEU  32  -0.090   7.843  -1.315
  280    HB2  LEU  32           2HB      LEU  32   0.082   6.147   1.190
  281    HB3  LEU  32           1HB      LEU  32  -1.306   6.151   0.103
  282    HG   LEU  32           HG       LEU  32   0.264   5.558  -1.777
  283   HD11  LEU  32          1HD1      LEU  32   2.419   6.123  -1.116
  284   HD12  LEU  32          2HD1      LEU  32   2.407   4.397  -0.760
  285   HD13  LEU  32          3HD1      LEU  32   2.171   5.562   0.539
  286   HD21  LEU  32          3HD2      LEU  32  -0.244   3.796   0.602
  287   HD22  LEU  32          1HD2      LEU  32   0.696   3.171  -0.754
  288   HD23  LEU  32          2HD2      LEU  32  -0.959   3.724  -1.009
  289    H    HIS  33           H        HIS  33  -2.102   8.801  -0.965
  290    HA   HIS  33           HA       HIS  33  -3.061   9.645   1.608
  291    HB2  HIS  33           2HB      HIS  33  -1.185  11.277   1.335
  292    HB3  HIS  33           1HB      HIS  33  -1.940  11.850  -0.152
  293    HD1  HIS  33           1HD      HIS  33  -2.986  11.325   3.491
  294    HD2  HIS  33           2HD      HIS  33  -3.673  13.944   0.317
  295    HE1  HIS  33           1HE      HIS  33  -4.523  13.136   4.374
  296    HE2  HIS  33           2HE      HIS  33  -4.947  14.734   2.451
  297    H    GLY  34           H        GLY  34  -4.982   8.730   0.760
  298    HA2  GLY  34           2HA      GLY  34  -7.161   9.180  -0.118
  299    HA3  GLY  34           1HA      GLY  34  -6.490  10.544  -1.018
  300    H    ILE  35           H        ILE  35  -4.477   7.905  -1.364
  301    HA   ILE  35           HA       ILE  35  -4.876   7.621  -4.149
  302    HB   ILE  35           HB       ILE  35  -2.900   6.822  -2.697
  303   HG12  ILE  35          2HG1      ILE  35  -2.718   4.682  -4.267
  304   HG13  ILE  35          1HG1      ILE  35  -4.137   5.403  -5.028
  305   HG21  ILE  35          1HG2      ILE  35  -4.498   4.264  -2.589
  306   HG22  ILE  35          2HG2      ILE  35  -4.528   5.423  -1.260
  307   HG23  ILE  35          3HG2      ILE  35  -3.009   4.662  -1.732
  308   HD11  ILE  35          3HD1      ILE  35  -1.445   6.736  -4.607
  309   HD12  ILE  35          1HD1      ILE  35  -2.872   7.549  -5.247
  310   HD13  ILE  35          2HD1      ILE  35  -2.134   6.226  -6.147
  311    H    PHE  36           H        PHE  36  -6.675   6.321  -1.499
  312    HA   PHE  36           HA       PHE  36  -7.745   3.976  -2.692
  313    HB2  PHE  36           2HB      PHE  36  -8.885   5.922  -0.672
  314    HB3  PHE  36           1HB      PHE  36  -9.697   4.427  -1.127
  315    HD1  PHE  36           2HD      PHE  36  -8.732   2.245  -0.589
  316    HD2  PHE  36           1HD      PHE  36  -6.816   5.892   0.633
  317    HE1  PHE  36           2HE      PHE  36  -7.306   0.969   0.980
  318    HE2  PHE  36           1HE      PHE  36  -5.390   4.610   2.209
  319    HZ   PHE  36           HZ       PHE  36  -5.635   2.148   2.379
  320    H    GLY  37           H        GLY  37  -9.223   3.702  -4.300
  321    HA2  GLY  37           2HA      GLY  37 -10.866   4.209  -5.897
  322    HA3  GLY  37           1HA      GLY  37 -11.326   5.578  -4.883
  323    H    ARG  38           H        ARG  38  -8.042   5.179  -6.077
  324    HA   ARG  38           HA       ARG  38  -8.551   7.252  -8.144
  325    HB2  ARG  38           2HB      ARG  38  -6.426   7.460  -5.994
  326    HB3  ARG  38           1HB      ARG  38  -6.596   8.557  -7.365
  327    HG2  ARG  38           2HG      ARG  38  -8.948   9.034  -6.587
  328    HG3  ARG  38           1HG      ARG  38  -8.591   8.104  -5.130
  329    HD2  ARG  38           2HD      ARG  38  -6.573   9.652  -4.821
  330    HD3  ARG  38           1HD      ARG  38  -7.300  10.670  -6.062
  331    HE   ARG  38           HE       ARG  38  -9.226  10.067  -4.008
  332   HH11  ARG  38          1HH2      ARG  38  -6.422  11.921  -4.770
  333   HH12  ARG  38          2HH2      ARG  38  -6.811  13.206  -3.674
  334   HH21  ARG  38          1HH1      ARG  38  -9.752  11.733  -2.574
  335   HH22  ARG  38          2HH1      ARG  38  -8.697  13.098  -2.430
  336    H    HIS  39           H        HIS  39  -6.634   7.509  -9.613
  337    HA   HIS  39           HA       HIS  39  -5.458   4.849 -10.138
  338    HB2  HIS  39           2HB      HIS  39  -5.467   7.406 -11.769
  339    HB3  HIS  39           1HB      HIS  39  -4.766   5.879 -12.301
  340    HD1  HIS  39           1HD      HIS  39  -8.042   7.593 -11.716
  341    HD2  HIS  39           2HD      HIS  39  -6.682   3.837 -12.922
  342    HE1  HIS  39           1HE      HIS  39 -10.057   6.359 -12.632
  343    HE2  HIS  39           2HE      HIS  39  -9.242   4.073 -13.368
  344    H    SER  40           H        SER  40  -3.135   4.691 -10.651
  345    HA   SER  40           HA       SER  40  -1.506   6.016  -8.667
  346    HB2  SER  40           2HB      SER  40  -1.076   3.710  -9.556
  347    HB3  SER  40           1HB      SER  40  -0.601   4.433 -11.089
  348    HG   SER  40           HG       SER  40   0.717   5.744  -9.267
  349    H    GLY  41           H        GLY  41   0.286   7.451  -9.076
  350    HA2  GLY  41           2HA      GLY  41   1.584   8.904 -10.516
  351    HA3  GLY  41           1HA      GLY  41   0.300   8.805 -11.716
  352    H    GLN  42           H        GLN  42  -1.666   9.221  -9.363
  353    HA   GLN  42           HA       GLN  42  -2.028  12.030  -9.737
  354    HB2  GLN  42           2HB      GLN  42  -3.815  10.420  -9.004
  355    HB3  GLN  42           1HB      GLN  42  -3.052  10.379  -7.413
  356    HG2  GLN  42           2HG      GLN  42  -3.279  12.885  -7.321
  357    HG3  GLN  42           1HG      GLN  42  -4.221  12.800  -8.810
  358   HE21  GLN  42          1HE2      GLN  42  -6.422  12.819  -8.389
  359   HE22  GLN  42          2HE2      GLN  42  -7.167  12.117  -7.037
  360    H    ALA  43           H        ALA  43  -0.359  10.183  -7.219
  361    HA   ALA  43           HA       ALA  43   0.023  12.283  -5.351
  362    HB1  ALA  43           1HB      ALA  43   0.758  10.327  -4.420
  363    HB2  ALA  43           2HB      ALA  43   2.314  10.872  -5.047
  364    HB3  ALA  43           3HB      ALA  43   1.357   9.702  -5.956
  365    H    GLU  44           H        GLU  44   1.724  11.526  -8.342
  366    HA   GLU  44           HA       GLU  44   3.557  12.613  -9.369
  367    HB2  GLU  44           2HB      GLU  44   1.965  14.966  -8.300
  368    HB3  GLU  44           1HB      GLU  44   3.185  15.057  -9.573
  369    HG2  GLU  44           2HG      GLU  44   1.852  13.448 -10.927
  370    HG3  GLU  44           1HG      GLU  44   0.609  13.460  -9.674
  371    H    GLY  45           H        GLY  45   4.895  14.980  -8.739
  372    HA2  GLY  45           2HA      GLY  45   6.425  15.936  -7.213
  373    HA3  GLY  45           1HA      GLY  45   5.665  14.997  -5.927
  374    H    TYR  46           H        TYR  46   5.957  12.419  -7.111
  375    HA   TYR  46           HA       TYR  46   8.935  12.115  -7.013
  376    HB2  TYR  46           2HB      TYR  46   7.652  11.154  -5.063
  377    HB3  TYR  46           1HB      TYR  46   6.851  10.070  -6.200
  378    HD1  TYR  46           1HD      TYR  46  10.146  11.043  -4.786
  379    HD2  TYR  46           2HD      TYR  46   7.963   8.138  -7.080
  380    HE1  TYR  46           1HE      TYR  46  12.084   9.499  -4.676
  381    HE2  TYR  46           2HE      TYR  46   9.905   6.595  -6.969
  382    HH   TYR  46           HH       TYR  46  11.943   6.263  -6.172
  383    H    SER  47           H        SER  47   9.867  11.063  -8.733
  384    HA   SER  47           HA       SER  47   8.374  10.619 -11.128
  385    HB2  SER  47           2HB      SER  47  11.085   9.499 -10.364
  386    HB3  SER  47           1HB      SER  47  10.434   9.603 -11.996
  387    HG   SER  47           HG       SER  47  11.682  11.399 -11.697
  388    H    TYR  48           H        TYR  48   7.864   8.614 -12.183
  389    HA   TYR  48           HA       TYR  48   7.533   6.319 -10.294
  390    HB2  TYR  48           2HB      TYR  48   5.827   7.270 -12.599
  391    HB3  TYR  48           1HB      TYR  48   5.675   5.647 -11.929
  392    HD1  TYR  48           1HD      TYR  48   5.285   9.259 -11.221
  393    HD2  TYR  48           2HD      TYR  48   4.738   5.264  -9.738
  394    HE1  TYR  48           1HE      TYR  48   3.862  10.133  -9.386
  395    HE2  TYR  48           2HE      TYR  48   3.318   6.138  -7.904
  396    HH   TYR  48           HH       TYR  48   2.141   7.959  -7.204
  397    H    THR  49           H        THR  49   8.102   4.249 -11.051
  398    HA   THR  49           HA       THR  49  10.094   4.221 -13.189
  399    HB   THR  49           HB       THR  49  10.552   1.994 -12.510
  400    HG1  THR  49           1HG      THR  49   8.250   1.432 -12.598
  401   HG21  THR  49          3HG2      THR  49  11.000   2.254 -10.234
  402   HG22  THR  49          1HG2      THR  49   9.472   3.081  -9.927
  403   HG23  THR  49          2HG2      THR  49  10.782   3.927 -10.751
  404    H    ASP  50           H        ASP  50   9.939   2.503 -14.929
  405    HA   ASP  50           HA       ASP  50   7.699   2.904 -16.590
  406    HB2  ASP  50           2HB      ASP  50   9.676   0.622 -16.511
  407    HB3  ASP  50           1HB      ASP  50   8.510   0.859 -17.811
  408    H    ALA  51           H        ALA  51   8.249   0.507 -14.078
  409    HA   ALA  51           HA       ALA  51   6.353  -1.434 -14.632
  410    HB1  ALA  51           1HB      ALA  51   6.023  -0.853 -11.883
  411    HB2  ALA  51           2HB      ALA  51   7.692  -0.446 -12.283
  412    HB3  ALA  51           3HB      ALA  51   7.080  -2.067 -12.606
  413    H    ASN  52           H        ASN  52   5.391   0.960 -12.180
  414    HA   ASN  52           HA       ASN  52   2.624   0.643 -12.614
  415    HB2  ASN  52           2HB      ASN  52   3.653   1.762 -10.630
  416    HB3  ASN  52           1HB      ASN  52   3.989   3.167 -11.641
  417   HD21  ASN  52          1HD2      ASN  52   1.292   1.191 -10.324
  418   HD22  ASN  52          2HD2      ASN  52   0.118   2.408 -10.484
  419    H    ILE  53           H        ILE  53   4.834   3.032 -14.108
  420    HA   ILE  53           HA       ILE  53   2.850   4.547 -15.449
  421    HB   ILE  53           HB       ILE  53   5.667   3.896 -16.357
  422   HG12  ILE  53          2HG1      ILE  53   4.605   6.256 -14.772
  423   HG13  ILE  53          1HG1      ILE  53   5.481   4.895 -14.069
  424   HG21  ILE  53          1HG2      ILE  53   5.127   5.096 -18.177
  425   HG22  ILE  53          2HG2      ILE  53   4.853   6.482 -17.124
  426   HG23  ILE  53          3HG2      ILE  53   3.516   5.410 -17.535
  427   HD11  ILE  53          3HD1      ILE  53   6.600   6.608 -16.301
  428   HD12  ILE  53          1HD1      ILE  53   7.462   5.413 -15.331
  429   HD13  ILE  53          2HD1      ILE  53   6.913   6.920 -14.594
  430    H    LYS  54           H        LYS  54   4.731   1.744 -16.630
  431    HA   LYS  54           HA       LYS  54   3.470   1.557 -19.171
  432    HB2  LYS  54           2HB      LYS  54   5.539   0.313 -18.495
  433    HB3  LYS  54           1HB      LYS  54   4.535  -0.734 -17.492
  434    HG2  LYS  54           2HG      LYS  54   3.224  -1.371 -19.502
  435    HG3  LYS  54           1HG      LYS  54   4.288  -0.372 -20.493
  436    HD2  LYS  54           2HD      LYS  54   6.230  -1.739 -19.685
  437    HD3  LYS  54           1HD      LYS  54   5.085  -2.799 -18.861
  438    HE2  LYS  54           2HE      LYS  54   5.828  -2.742 -21.666
  439    HE3  LYS  54           1HE      LYS  54   4.895  -3.952 -20.787
  440    HZ1  LYS  54           3HZ      LYS  54   3.895  -1.447 -22.018
  441    HZ2  LYS  54           1HZ      LYS  54   2.971  -2.393 -20.954
  442    HZ3  LYS  54           2HZ      LYS  54   3.488  -3.043 -22.436
  443    H    LYS  55           H        LYS  55   2.567   0.288 -16.001
  444    HA   LYS  55           HA       LYS  55  -0.081  -0.478 -17.165
  445    HB2  LYS  55           2HB      LYS  55   1.250  -2.496 -16.628
  446    HB3  LYS  55           1HB      LYS  55   1.448  -1.917 -14.974
  447    HG2  LYS  55           2HG      LYS  55  -0.945  -2.037 -14.584
  448    HG3  LYS  55           1HG      LYS  55  -1.238  -2.440 -16.275
  449    HD2  LYS  55           2HD      LYS  55  -1.319  -4.489 -14.980
  450    HD3  LYS  55           1HD      LYS  55   0.142  -4.511 -15.966
  451    HE2  LYS  55           2HE      LYS  55   0.380  -5.193 -13.487
  452    HE3  LYS  55           1HE      LYS  55   1.538  -4.022 -14.116
  453    HZ1  LYS  55           3HZ      LYS  55  -0.913  -2.906 -13.041
  454    HZ2  LYS  55           1HZ      LYS  55   0.690  -2.382 -12.862
  455    HZ3  LYS  55           2HZ      LYS  55   0.103  -3.654 -11.901
  456    H    ASN  56           H        ASN  56  -1.596   0.850 -16.307
  457    HA   ASN  56           HA       ASN  56  -1.121   1.964 -13.581
  458    HB2  ASN  56           2HB      ASN  56  -1.550   3.566 -15.474
  459    HB3  ASN  56           1HB      ASN  56  -3.156   2.856 -15.643
  460   HD21  ASN  56          1HD2      ASN  56  -1.060   4.254 -13.054
  461   HD22  ASN  56          2HD2      ASN  56  -2.334   5.015 -12.229
  462    H    VAL  57           H        VAL  57  -2.522   1.465 -11.929
  463    HA   VAL  57           HA       VAL  57  -4.926  -0.167 -12.624
  464    HB   VAL  57           HB       VAL  57  -3.077  -1.603 -11.782
  465   HG11  VAL  57          1HG1      VAL  57  -2.636   0.572 -10.074
  466   HG12  VAL  57          2HG1      VAL  57  -1.823  -0.991 -10.010
  467   HG13  VAL  57          3HG1      VAL  57  -3.254  -0.700  -9.021
  468   HG21  VAL  57          3HG2      VAL  57  -4.392  -2.688  -9.990
  469   HG22  VAL  57          1HG2      VAL  57  -5.433  -2.205 -11.329
  470   HG23  VAL  57          2HG2      VAL  57  -5.394  -1.244  -9.851
  471    H    LEU  58           H        LEU  58  -6.729   0.144 -11.269
  472    HA   LEU  58           HA       LEU  58  -6.842   2.721  -9.916
  473    HB2  LEU  58           2HB      LEU  58  -8.803   1.830 -11.119
  474    HB3  LEU  58           1HB      LEU  58  -8.848   0.441 -10.035
  475    HG   LEU  58           HG       LEU  58  -9.186   2.003  -8.110
  476   HD11  LEU  58          1HD1      LEU  58  -8.525   4.131  -8.528
  477   HD12  LEU  58          2HD1      LEU  58 -10.122   4.319  -9.249
  478   HD13  LEU  58          3HD1      LEU  58  -8.732   3.954 -10.270
  479   HD21  LEU  58          3HD2      LEU  58 -11.480   2.922  -9.376
  480   HD22  LEU  58          1HD2      LEU  58 -11.301   1.358  -8.579
  481   HD23  LEU  58          2HD2      LEU  58 -11.040   1.497 -10.319
  482    H    TRP  59           H        TRP  59  -6.552   3.081  -7.742
  483    HA   TRP  59           HA       TRP  59  -5.854   0.725  -6.096
  484    HB2  TRP  59           2HB      TRP  59  -5.537   3.703  -5.653
  485    HB3  TRP  59           1HB      TRP  59  -5.132   2.494  -4.435
  486    HD1  TRP  59           HD       TRP  59  -3.570   4.376  -7.103
  487    HE1  TRP  59           1HE      TRP  59  -1.392   3.262  -7.905
  488    HE3  TRP  59           3HE      TRP  59  -4.100  -0.235  -4.981
  489    HZ2  TRP  59           2HZ      TRP  59  -0.048   0.752  -7.683
  490    HZ3  TRP  59           3HZ      TRP  59  -2.359  -1.965  -5.296
  491    HH2  TRP  59           HH       TRP  59  -0.334  -1.480  -6.642
  492    H    ASP  60           H        ASP  60  -7.245  -0.114  -4.702
  493    HA   ASP  60           HA       ASP  60  -9.258   1.536  -3.329
  494    HB2  ASP  60           2HB      ASP  60 -10.295   0.760  -5.522
  495    HB3  ASP  60           1HB      ASP  60 -10.127  -0.891  -4.925
  496    H    GLU  61           H        GLU  61 -10.466   0.016  -1.699
  497    HA   GLU  61           HA       GLU  61  -8.556  -1.305  -0.087
  498    HB2  GLU  61           2HB      GLU  61 -11.553  -1.754  -0.244
  499    HB3  GLU  61           1HB      GLU  61 -10.519  -2.346   1.055
  500    HG2  GLU  61           2HG      GLU  61  -9.831  -0.006   1.538
  501    HG3  GLU  61           1HG      GLU  61 -10.945   0.557   0.291
  502    H    ASN  62           H        ASN  62 -10.724  -2.618  -2.579
  503    HA   ASN  62           HA       ASN  62 -10.055  -5.374  -2.139
  504    HB2  ASN  62           2HB      ASN  62 -12.030  -4.654  -3.438
  505    HB3  ASN  62           1HB      ASN  62 -10.966  -4.003  -4.685
  506   HD21  ASN  62          1HD2      ASN  62  -9.948  -5.487  -6.138
  507   HD22  ASN  62          2HD2      ASN  62 -10.285  -7.152  -6.134
  508    H    ASN  63           H        ASN  63  -8.803  -2.986  -4.483
  509    HA   ASN  63           HA       ASN  63  -6.915  -4.745  -5.699
  510    HB2  ASN  63           2HB      ASN  63  -7.710  -2.516  -6.587
  511    HB3  ASN  63           1HB      ASN  63  -6.625  -1.749  -5.425
  512   HD21  ASN  63          1HD2      ASN  63  -5.443  -0.909  -7.399
  513   HD22  ASN  63          2HD2      ASN  63  -4.336  -1.929  -8.182
  514    H    MET  64           H        MET  64  -6.582  -2.529  -2.932
  515    HA   MET  64           HA       MET  64  -3.768  -2.815  -2.623
  516    HB2  MET  64           2HB      MET  64  -5.939  -2.259  -0.588
  517    HB3  MET  64           1HB      MET  64  -4.216  -2.199  -0.210
  518    HG2  MET  64           2HG      MET  64  -3.924  -0.542  -2.070
  519    HG3  MET  64           1HG      MET  64  -5.673  -0.527  -2.273
  520    HE1  MET  64           3HE      MET  64  -4.860   1.729  -2.305
  521    HE2  MET  64           1HE      MET  64  -3.963   2.541  -1.017
  522    HE3  MET  64           2HE      MET  64  -5.718   2.664  -1.084
  523    H    SER  65           H        SER  65  -6.443  -4.812  -1.397
  524    HA   SER  65           HA       SER  65  -4.867  -6.488   0.294
  525    HB2  SER  65           2HB      SER  65  -7.315  -7.268  -1.318
  526    HB3  SER  65           1HB      SER  65  -6.692  -8.106   0.101
  527    HG   SER  65           HG       SER  65  -7.678  -5.442  -0.037
  528    H    GLU  66           H        GLU  66  -5.726  -6.800  -3.154
  529    HA   GLU  66           HA       GLU  66  -4.273  -9.251  -3.562
  530    HB2  GLU  66           2HB      GLU  66  -6.029  -8.359  -5.118
  531    HB3  GLU  66           1HB      GLU  66  -4.899  -7.093  -5.601
  532    HG2  GLU  66           2HG      GLU  66  -3.275  -8.855  -6.294
  533    HG3  GLU  66           1HG      GLU  66  -4.481 -10.080  -5.905
  534    H    HIS  67           H        HIS  67  -3.407  -5.845  -3.664
  535    HA   HIS  67           HA       HIS  67  -0.900  -6.021  -4.959
  536    HB2  HIS  67           2HB      HIS  67  -2.196  -3.941  -4.217
  537    HB3  HIS  67           1HB      HIS  67  -1.503  -4.207  -2.620
  538    HD1  HIS  67           1HD      HIS  67  -0.081  -4.172  -6.175
  539    HD2  HIS  67           2HD      HIS  67   0.766  -2.697  -2.379
  540    HE1  HIS  67           1HE      HIS  67   2.074  -2.859  -6.388
  541    HE2  HIS  67           2HE      HIS  67   2.605  -1.961  -4.075
  542    H    LEU  68           H        LEU  68  -1.747  -6.410  -1.532
  543    HA   LEU  68           HA       LEU  68   0.942  -6.883  -0.633
  544    HB2  LEU  68           2HB      LEU  68  -1.700  -7.753   0.576
  545    HB3  LEU  68           1HB      LEU  68  -0.148  -7.759   1.405
  546    HG   LEU  68           HG       LEU  68  -1.490  -5.302   0.247
  547   HD11  LEU  68          1HD1      LEU  68  -1.129  -6.199   3.122
  548   HD12  LEU  68          2HD1      LEU  68  -2.654  -6.198   2.238
  549   HD13  LEU  68          3HD1      LEU  68  -1.847  -4.674   2.601
  550   HD21  LEU  68          3HD2      LEU  68   0.394  -4.429   2.000
  551   HD22  LEU  68          1HD2      LEU  68   0.694  -4.616   0.274
  552   HD23  LEU  68          2HD2      LEU  68   1.180  -5.885   1.398
  553    H    THR  69           H        THR  69  -1.464  -8.920  -2.145
  554    HA   THR  69           HA       THR  69  -0.067 -11.380  -1.337
  555    HB   THR  69           HB       THR  69  -2.258 -11.070  -3.407
  556    HG1  THR  69           1HG      THR  69  -2.447 -10.424  -0.953
  557   HG21  THR  69          3HG2      THR  69  -1.406 -13.415  -1.684
  558   HG22  THR  69          1HG2      THR  69  -0.992 -13.213  -3.387
  559   HG23  THR  69          2HG2      THR  69  -2.677 -13.425  -2.908
  560    H    ASN  70           H        ASN  70   1.507 -12.360  -2.498
  561    HA   ASN  70           HA       ASN  70   3.236 -12.468  -4.106
  562    HB2  ASN  70           2HB      ASN  70   1.047 -13.690  -4.964
  563    HB3  ASN  70           1HB      ASN  70   1.081 -12.412  -6.180
  564   HD21  ASN  70          1HD2      ASN  70   2.205 -13.044  -8.017
  565   HD22  ASN  70          2HD2      ASN  70   3.546 -14.084  -8.035
  566    HA   PRO  71           HA       PRO  71   2.626  -7.929  -5.387
  567    HB2  PRO  71           2HB      PRO  71   4.788  -6.999  -3.939
  568    HB3  PRO  71           1HB      PRO  71   3.114  -6.990  -3.353
  569    HG2  PRO  71           2HG      PRO  71   5.317  -8.900  -2.761
  570    HG3  PRO  71           1HG      PRO  71   4.061  -8.254  -1.692
  571    HD2  PRO  71           2HD      PRO  71   3.914 -10.759  -2.730
  572    HD3  PRO  71           1HD      PRO  71   2.468  -9.775  -2.411
  573    H    ALA  72           H        ALA  72   5.110 -10.322  -5.406
  574    HA   ALA  72           HA       ALA  72   7.220  -8.968  -6.727
  575    HB1  ALA  72           1HB      ALA  72   7.837 -11.231  -7.604
  576    HB2  ALA  72           2HB      ALA  72   6.304 -11.847  -6.990
  577    HB3  ALA  72           3HB      ALA  72   7.517 -11.227  -5.870
  578    H    LYS  73           H        LYS  73   4.244 -10.392  -8.018
  579    HA   LYS  73           HA       LYS  73   5.048  -9.813 -10.785
  580    HB2  LYS  73           2HB      LYS  73   2.422 -10.777  -9.608
  581    HB3  LYS  73           1HB      LYS  73   2.755 -10.630 -11.334
  582    HG2  LYS  73           2HG      LYS  73   4.677 -12.199 -11.057
  583    HG3  LYS  73           1HG      LYS  73   4.220 -12.411  -9.365
  584    HD2  LYS  73           2HD      LYS  73   1.966 -13.186 -10.115
  585    HD3  LYS  73           1HD      LYS  73   2.522 -13.084 -11.786
  586    HE2  LYS  73           2HE      LYS  73   3.407 -15.142 -11.600
  587    HE3  LYS  73           1HE      LYS  73   4.486 -14.547 -10.339
  588    HZ1  LYS  73           3HZ      LYS  73   1.714 -15.131  -9.612
  589    HZ2  LYS  73           1HZ      LYS  73   3.129 -15.289  -8.692
  590    HZ3  LYS  73           2HZ      LYS  73   2.755 -16.448  -9.877
  591    H    TYR  74           H        TYR  74   4.159  -7.907  -8.314
  592    HA   TYR  74           HA       TYR  74   2.426  -6.126  -9.971
  593    HB2  TYR  74           2HB      TYR  74   1.957  -7.026  -7.481
  594    HB3  TYR  74           1HB      TYR  74   2.918  -5.607  -7.079
  595    HD1  TYR  74           1HD      TYR  74   2.166  -3.634  -9.096
  596    HD2  TYR  74           2HD      TYR  74  -0.271  -6.531  -7.074
  597    HE1  TYR  74           1HE      TYR  74   0.194  -2.176  -9.393
  598    HE2  TYR  74           2HE      TYR  74  -2.253  -5.074  -7.381
  599    HH   TYR  74           HH       TYR  74  -2.074  -1.894  -8.078
  600    H    ILE  75           H        ILE  75   3.399  -4.360 -10.807
  601    HA   ILE  75           HA       ILE  75   5.182  -2.908 -11.331
  602    HB   ILE  75           HB       ILE  75   5.582  -1.293  -9.511
  603   HG12  ILE  75          2HG1      ILE  75   3.880  -3.102  -7.772
  604   HG13  ILE  75          1HG1      ILE  75   5.633  -3.045  -7.660
  605   HG21  ILE  75          1HG2      ILE  75   3.610  -0.486 -10.217
  606   HG22  ILE  75          2HG2      ILE  75   2.819  -1.434  -8.959
  607   HG23  ILE  75          3HG2      ILE  75   3.030  -2.112 -10.572
  608   HD11  ILE  75          3HD1      ILE  75   4.290  -0.416  -7.633
  609   HD12  ILE  75          1HD1      ILE  75   5.636  -1.005  -6.657
  610   HD13  ILE  75          2HD1      ILE  75   3.980  -1.433  -6.227
  611    HA   PRO  76           HA       PRO  76   8.373  -5.817  -9.325
  612    HB2  PRO  76           2HB      PRO  76   9.266  -6.789 -11.769
  613    HB3  PRO  76           1HB      PRO  76   8.088  -7.605 -10.724
  614    HG2  PRO  76           2HG      PRO  76   7.639  -5.943 -13.145
  615    HG3  PRO  76           1HG      PRO  76   6.781  -7.389 -12.589
  616    HD2  PRO  76           2HD      PRO  76   5.737  -4.898 -12.303
  617    HD3  PRO  76           1HD      PRO  76   5.433  -6.194 -11.126
  618    H    GLY  77           H        GLY  77   8.276  -3.385 -11.797
  619    HA2  GLY  77           2HA      GLY  77  11.208  -3.102 -11.878
  620    HA3  GLY  77           1HA      GLY  77  10.055  -2.163 -12.820
  621    H    THR  78           H        THR  78   9.464  -2.494  -9.409
  622    HA   THR  78           HA       THR  78  10.356   0.344  -9.048
  623    HB   THR  78           HB       THR  78   8.604   0.461  -7.270
  624    HG1  THR  78           1HG      THR  78   8.486  -1.785  -6.887
  625   HG21  THR  78          3HG2      THR  78   6.698   0.567  -8.820
  626   HG22  THR  78          1HG2      THR  78   7.608  -0.366 -10.007
  627   HG23  THR  78          2HG2      THR  78   8.144   1.253  -9.558
  628    H    LYS  79           H        LYS  79  11.213   0.898  -6.949
  629    HA   LYS  79           HA       LYS  79  13.097  -0.959  -5.894
  630    HB2  LYS  79           2HB      LYS  79  11.878   1.447  -4.502
  631    HB3  LYS  79           1HB      LYS  79  13.422   0.687  -4.118
  632    HG2  LYS  79           2HG      LYS  79  14.246   1.244  -6.389
  633    HG3  LYS  79           1HG      LYS  79  12.711   2.045  -6.731
  634    HD2  LYS  79           2HD      LYS  79  13.139   3.521  -4.721
  635    HD3  LYS  79           1HD      LYS  79  14.756   2.822  -4.637
  636    HE2  LYS  79           2HE      LYS  79  14.066   3.735  -7.335
  637    HE3  LYS  79           1HE      LYS  79  14.030   5.033  -6.146
  638    HZ1  LYS  79           3HZ      LYS  79  16.254   4.096  -7.343
  639    HZ2  LYS  79           1HZ      LYS  79  16.279   3.260  -5.869
  640    HZ3  LYS  79           2HZ      LYS  79  16.228   4.958  -5.879
  641    H    MET  80           H        MET  80   9.768  -0.259  -5.100
  642    HA   MET  80           HA       MET  80   9.341  -1.168  -2.568
  643    HB2  MET  80           2HB      MET  80   7.588  -0.540  -4.277
  644    HB3  MET  80           1HB      MET  80   7.722  -2.174  -4.921
  645    HG2  MET  80           2HG      MET  80   6.661  -3.117  -3.119
  646    HG3  MET  80           1HG      MET  80   7.300  -1.931  -1.983
  647    HE1  MET  80           3HE      MET  80   4.593  -2.985  -1.729
  648    HE2  MET  80           1HE      MET  80   4.125  -3.179  -3.425
  649    HE3  MET  80           2HE      MET  80   3.228  -2.081  -2.380
  650    H    ALA  81           H        ALA  81  10.203  -2.865  -1.510
  651    HA   ALA  81           HA       ALA  81  10.504  -5.460  -2.974
  652    HB1  ALA  81           1HB      ALA  81  12.528  -5.795  -1.964
  653    HB2  ALA  81           2HB      ALA  81  12.019  -5.018  -0.465
  654    HB3  ALA  81           3HB      ALA  81  12.516  -4.036  -1.842
  655    H    PHE  82           H        PHE  82   8.141  -4.409  -1.506
  656    HA   PHE  82           HA       PHE  82   7.936  -5.656   1.070
  657    HB2  PHE  82           2HB      PHE  82   6.411  -3.862   0.145
  658    HB3  PHE  82           1HB      PHE  82   5.680  -5.098  -0.877
  659    HD1  PHE  82           1HD      PHE  82   6.211  -3.989   2.614
  660    HD2  PHE  82           2HD      PHE  82   4.205  -6.774   0.035
  661    HE1  PHE  82           1HE      PHE  82   4.741  -4.672   4.493
  662    HE2  PHE  82           2HE      PHE  82   2.741  -7.464   1.912
  663    HZ   PHE  82           HZ       PHE  82   3.003  -6.407   4.140
  664    H    GLY  83           H        GLY  83   7.460  -7.762   1.611
  665    HA2  GLY  83           2HA      GLY  83   7.391  -9.738  -0.570
  666    HA3  GLY  83           1HA      GLY  83   7.507 -10.100   1.151
  667    H    GLY  84           H        GLY  84   5.780 -11.696  -0.000
  668    HA2  GLY  84           2HA      GLY  84   3.092 -10.482  -0.064
  669    HA3  GLY  84           1HA      GLY  84   3.475 -12.158  -0.454
  670    H    LEU  85           H        LEU  85   1.391 -11.145   1.381
  671    HA   LEU  85           HA       LEU  85   2.423 -12.150   3.999
  672    HB2  LEU  85           2HB      LEU  85  -0.174 -10.702   3.398
  673    HB3  LEU  85           1HB      LEU  85   0.475 -11.076   4.995
  674    HG   LEU  85           HG       LEU  85   1.736  -9.247   2.932
  675   HD11  LEU  85          1HD1      LEU  85   0.978  -7.474   4.197
  676   HD12  LEU  85          2HD1      LEU  85   0.979  -8.405   5.694
  677   HD13  LEU  85          3HD1      LEU  85  -0.321  -8.619   4.524
  678   HD21  LEU  85          3HD2      LEU  85   2.708 -10.434   5.512
  679   HD22  LEU  85          1HD2      LEU  85   3.203  -8.794   5.091
  680   HD23  LEU  85          2HD2      LEU  85   3.596 -10.137   4.017
  681    H    LYS  86           H        LYS  86   1.923 -14.226   4.483
  682    HA   LYS  86           HA       LYS  86   0.149 -15.812   2.869
  683    HB2  LYS  86           2HB      LYS  86   1.280 -16.341   5.634
  684    HB3  LYS  86           1HB      LYS  86   0.481 -17.544   4.622
  685    HG2  LYS  86           2HG      LYS  86   2.201 -17.038   2.833
  686    HG3  LYS  86           1HG      LYS  86   3.061 -16.072   4.032
  687    HD2  LYS  86           2HD      LYS  86   2.348 -19.001   4.367
  688    HD3  LYS  86           1HD      LYS  86   3.936 -18.403   3.887
  689    HE2  LYS  86           2HE      LYS  86   4.316 -18.496   6.146
  690    HE3  LYS  86           1HE      LYS  86   3.555 -16.906   6.100
  691    HZ1  LYS  86           3HZ      LYS  86   1.523 -18.806   6.187
  692    HZ2  LYS  86           1HZ      LYS  86   1.960 -17.693   7.391
  693    HZ3  LYS  86           2HZ      LYS  86   2.656 -19.243   7.376
  694    H    LYS  87           H        LYS  87  -0.275 -14.059   5.913
  695    HA   LYS  87           HA       LYS  87  -2.945 -15.199   6.344
  696    HB2  LYS  87           2HB      LYS  87  -1.637 -12.844   7.732
  697    HB3  LYS  87           1HB      LYS  87  -3.019 -13.775   8.308
  698    HG2  LYS  87           2HG      LYS  87  -0.252 -14.925   7.844
  699    HG3  LYS  87           1HG      LYS  87  -0.875 -14.431   9.417
  700    HD2  LYS  87           2HD      LYS  87  -2.837 -16.030   8.959
  701    HD3  LYS  87           1HD      LYS  87  -1.852 -16.677   7.646
  702    HE2  LYS  87           2HE      LYS  87  -1.045 -16.539  10.565
  703    HE3  LYS  87           1HE      LYS  87  -1.503 -17.996   9.684
  704    HZ1  LYS  87           3HZ      LYS  87   0.863 -17.849   9.739
  705    HZ2  LYS  87           1HZ      LYS  87   0.842 -16.255   9.158
  706    HZ3  LYS  87           2HZ      LYS  87   0.359 -17.534   8.148
  707    H    GLU  88           H        GLU  88  -4.644 -14.488   5.183
  708    HA   GLU  88           HA       GLU  88  -4.591 -12.016   3.680
  709    HB2  GLU  88           2HB      GLU  88  -6.855 -13.927   4.327
  710    HB3  GLU  88           1HB      GLU  88  -6.982 -12.581   3.197
  711    HG2  GLU  88           2HG      GLU  88  -5.120 -13.547   1.867
  712    HG3  GLU  88           1HG      GLU  88  -5.066 -14.920   2.974
  713    H    LYS  89           H        LYS  89  -6.014 -13.035   6.758
  714    HA   LYS  89           HA       LYS  89  -7.700 -10.800   7.207
  715    HB2  LYS  89           2HB      LYS  89  -6.122 -12.457   9.197
  716    HB3  LYS  89           1HB      LYS  89  -7.411 -11.333   9.631
  717    HG2  LYS  89           2HG      LYS  89  -8.969 -12.621   8.163
  718    HG3  LYS  89           1HG      LYS  89  -7.680 -13.789   7.874
  719    HD2  LYS  89           2HD      LYS  89  -7.539 -14.181  10.339
  720    HD3  LYS  89           1HD      LYS  89  -8.920 -13.105  10.555
  721    HE2  LYS  89           2HE      LYS  89 -10.186 -14.969  10.312
  722    HE3  LYS  89           1HE      LYS  89  -9.816 -14.827   8.595
  723    HZ1  LYS  89           3HZ      LYS  89  -7.622 -16.050   9.639
  724    HZ2  LYS  89           1HZ      LYS  89  -8.880 -16.818   8.803
  725    HZ3  LYS  89           2HZ      LYS  89  -8.904 -16.758  10.501
  726    H    ASP  90           H        ASP  90  -4.226 -11.223   7.808
  727    HA   ASP  90           HA       ASP  90  -3.783  -8.808   9.231
  728    HB2  ASP  90           2HB      ASP  90  -1.993 -10.338   7.321
  729    HB3  ASP  90           1HB      ASP  90  -1.442  -9.003   8.331
  730    H    ARG  91           H        ARG  91  -4.009  -9.476   5.758
  731    HA   ARG  91           HA       ARG  91  -3.121  -6.950   4.790
  732    HB2  ARG  91           2HB      ARG  91  -5.251  -8.794   3.667
  733    HB3  ARG  91           1HB      ARG  91  -4.476  -7.481   2.780
  734    HG2  ARG  91           2HG      ARG  91  -2.272  -8.580   3.139
  735    HG3  ARG  91           1HG      ARG  91  -3.101  -9.925   3.929
  736    HD2  ARG  91           2HD      ARG  91  -3.535  -8.994   1.080
  737    HD3  ARG  91           1HD      ARG  91  -2.703 -10.469   1.573
  738    HE   ARG  91           HE       ARG  91  -5.215 -10.673   2.741
  739   HH11  ARG  91          1HH2      ARG  91  -3.935 -10.131  -0.413
  740   HH12  ARG  91          2HH2      ARG  91  -5.262 -10.889  -1.227
  741   HH21  ARG  91          1HH1      ARG  91  -6.958 -11.664   1.696
  742   HH22  ARG  91          2HH1      ARG  91  -6.973 -11.757  -0.034
  743    H    ASN  92           H        ASN  92  -6.362  -8.055   5.751
  744    HA   ASN  92           HA       ASN  92  -7.813  -5.756   5.007
  745    HB2  ASN  92           2HB      ASN  92  -8.258  -7.635   7.343
  746    HB3  ASN  92           1HB      ASN  92  -9.445  -6.484   6.737
  747   HD21  ASN  92          1HD2      ASN  92 -10.057  -9.244   6.673
  748   HD22  ASN  92          2HD2      ASN  92 -10.066  -9.774   5.060
  749    H    ASP  93           H        ASP  93  -6.089  -6.406   8.086
  750    HA   ASP  93           HA       ASP  93  -6.953  -3.975   9.336
  751    HB2  ASP  93           2HB      ASP  93  -4.481  -5.657   9.836
  752    HB3  ASP  93           1HB      ASP  93  -5.095  -4.398  10.907
  753    H    LEU  94           H        LEU  94  -4.098  -4.799   7.380
  754    HA   LEU  94           HA       LEU  94  -2.699  -2.349   7.746
  755    HB2  LEU  94           2HB      LEU  94  -1.704  -4.376   6.726
  756    HB3  LEU  94           1HB      LEU  94  -2.724  -4.148   5.307
  757    HG   LEU  94           HG       LEU  94  -1.691  -1.900   4.968
  758   HD11  LEU  94          1HD1      LEU  94  -0.893  -1.167   7.019
  759   HD12  LEU  94          2HD1      LEU  94   0.600  -1.754   6.285
  760   HD13  LEU  94          3HD1      LEU  94  -0.258  -2.752   7.458
  761   HD21  LEU  94          3HD2      LEU  94  -0.578  -4.455   4.492
  762   HD22  LEU  94          1HD2      LEU  94   0.758  -3.429   5.013
  763   HD23  LEU  94          2HD2      LEU  94  -0.224  -2.959   3.627
  764    H    ILE  95           H        ILE  95  -5.052  -3.281   5.214
  765    HA   ILE  95           HA       ILE  95  -4.896  -0.807   3.784
  766    HB   ILE  95           HB       ILE  95  -7.251  -2.695   3.997
  767   HG12  ILE  95          2HG1      ILE  95  -4.986  -2.658   1.982
  768   HG13  ILE  95          1HG1      ILE  95  -5.084  -3.782   3.337
  769   HG21  ILE  95          1HG2      ILE  95  -6.566  -1.115   1.553
  770   HG22  ILE  95          2HG2      ILE  95  -7.356  -0.273   2.885
  771   HG23  ILE  95          3HG2      ILE  95  -8.141  -1.655   2.131
  772   HD11  ILE  95          3HD1      ILE  95  -7.586  -3.732   1.877
  773   HD12  ILE  95          1HD1      ILE  95  -6.529  -5.101   2.219
  774   HD13  ILE  95          2HD1      ILE  95  -6.245  -4.103   0.794
  775    H    THR  96           H        THR  96  -7.024  -1.897   6.403
  776    HA   THR  96           HA       THR  96  -8.710   0.397   6.475
  777    HB   THR  96           HB       THR  96  -7.890  -1.383   8.784
  778    HG1  THR  96           1HG      THR  96  -8.927  -2.849   7.726
  779   HG21  THR  96          3HG2      THR  96  -9.244  -0.007   9.944
  780   HG22  THR  96          1HG2      THR  96 -10.575  -0.665   8.991
  781   HG23  THR  96          2HG2      THR  96  -9.770   0.820   8.479
  782    H    TYR  97           H        TYR  97  -5.623  -0.271   8.128
  783    HA   TYR  97           HA       TYR  97  -5.644   2.002   9.829
  784    HB2  TYR  97           2HB      TYR  97  -4.034   0.152  10.072
  785    HB3  TYR  97           1HB      TYR  97  -3.251   0.639   8.567
  786    HD1  TYR  97           2HD      TYR  97  -4.041   1.725  12.034
  787    HD2  TYR  97           1HD      TYR  97  -1.736   2.486   8.491
  788    HE1  TYR  97           2HE      TYR  97  -2.682   3.388  13.275
  789    HE2  TYR  97           1HE      TYR  97  -0.379   4.151   9.731
  790    HH   TYR  97           HH       TYR  97  -0.244   5.361  11.631
  791    H    LEU  98           H        LEU  98  -4.333   1.686   6.500
  792    HA   LEU  98           HA       LEU  98  -3.304   4.349   6.399
  793    HB2  LEU  98           2HB      LEU  98  -4.288   2.542   4.174
  794    HB3  LEU  98           1HB      LEU  98  -3.454   4.071   3.902
  795    HG   LEU  98           HG       LEU  98  -2.333   1.704   5.436
  796   HD11  LEU  98          1HD1      LEU  98  -2.350   2.437   2.615
  797   HD12  LEU  98          2HD1      LEU  98  -1.793   0.946   3.376
  798   HD13  LEU  98          3HD1      LEU  98  -0.706   2.331   3.249
  799   HD21  LEU  98          3HD2      LEU  98  -0.226   3.304   4.903
  800   HD22  LEU  98          1HD2      LEU  98  -1.162   3.439   6.391
  801   HD23  LEU  98          2HD2      LEU  98  -1.483   4.530   5.042
  802    H    LYS  99           H        LYS  99  -6.520   3.052   5.673
  803    HA   LYS  99           HA       LYS  99  -7.608   5.394   4.504
  804    HB2  LYS  99           2HB      LYS  99  -8.927   3.287   6.240
  805    HB3  LYS  99           1HB      LYS  99  -9.803   4.509   5.325
  806    HG2  LYS  99           2HG      LYS  99  -8.712   3.671   3.239
  807    HG3  LYS  99           1HG      LYS  99  -7.970   2.383   4.187
  808    HD2  LYS  99           2HD      LYS  99  -9.897   1.337   3.375
  809    HD3  LYS  99           1HD      LYS  99 -10.422   1.894   4.963
  810    HE2  LYS  99           2HE      LYS  99 -10.952   4.093   3.409
  811    HE3  LYS  99           1HE      LYS  99 -11.279   2.780   2.282
  812    HZ1  LYS  99           3HZ      LYS  99 -13.058   2.118   3.441
  813    HZ2  LYS  99           1HZ      LYS  99 -13.019   3.676   4.112
  814    HZ3  LYS  99           2HZ      LYS  99 -12.316   2.374   4.948
  815    H    LYS 100           H        LYS 100  -7.152   4.466   7.891
  816    HA   LYS 100           HA       LYS 100  -8.643   6.561   9.102
  817    HB2  LYS 100           2HB      LYS 100  -7.673   4.610  10.317
  818    HB3  LYS 100           1HB      LYS 100  -6.067   5.306  10.094
  819    HG2  LYS 100           2HG      LYS 100  -6.832   7.355  11.298
  820    HG3  LYS 100           1HG      LYS 100  -8.378   6.561  11.605
  821    HD2  LYS 100           2HD      LYS 100  -7.120   4.694  12.719
  822    HD3  LYS 100           1HD      LYS 100  -5.650   5.652  12.552
  823    HE2  LYS 100           2HE      LYS 100  -6.703   7.479  13.852
  824    HE3  LYS 100           1HE      LYS 100  -8.151   6.491  14.048
  825    HZ1  LYS 100           3HZ      LYS 100  -5.461   5.596  14.908
  826    HZ2  LYS 100           1HZ      LYS 100  -6.959   4.906  15.300
  827    HZ3  LYS 100           2HZ      LYS 100  -6.531   6.422  15.937
  828    H    ALA 101           H        ALA 101  -5.272   6.436   8.002
  829    HA   ALA 101           HA       ALA 101  -4.519   9.037   8.916
  830    HB1  ALA 101           1HB      ALA 101  -3.494   7.148   6.823
  831    HB2  ALA 101           2HB      ALA 101  -2.684   7.764   8.264
  832    HB3  ALA 101           3HB      ALA 101  -2.881   8.801   6.852
  833    H    THR 102           H        THR 102  -6.172   7.939   5.995
  834    HA   THR 102           HA       THR 102  -5.984  10.446   4.582
  835    HB   THR 102           HB       THR 102  -7.707   9.531   3.123
  836    HG1  THR 102           1HG      THR 102  -8.366   8.236   5.407
  837   HG21  THR 102          3HG2      THR 102  -5.738   7.470   4.140
  838   HG22  THR 102          1HG2      THR 102  -5.518   8.578   2.786
  839   HG23  THR 102          2HG2      THR 102  -6.692   7.266   2.671
  840    H    GLU 103           H        GLU 103  -8.042   9.266   7.133
  841    HA   GLU 103           HA       GLU 103 -10.001  11.435   6.735
  842    HB2  GLU 103           2HB      GLU 103  -9.797   9.290   8.870
  843    HB3  GLU 103           1HB      GLU 103 -11.132  10.432   8.706
  844    HG2  GLU 103           2HG      GLU 103 -11.557   9.570   6.412
  845    HG3  GLU 103           1HG      GLU 103 -10.273   8.382   6.643
  846    HHA  HEC 201           HA       HEC 104   4.337   3.086  -5.758
  847    HHB  HEC 201           HB       HEC 104   0.770   0.310  -1.337
  848    HHC  HEC 201           HC       HEC 104   5.972  -1.011   2.010
  849    HHD  HEC 201           HD       HEC 104   9.542   1.589  -2.522
  850   HMA1  HEC 201          1HMA      HEC 104  -0.388   1.982  -2.379
  851   HMA2  HEC 201          2HMA      HEC 104  -0.653   0.981  -3.808
  852   HMA3  HEC 201          3HMA      HEC 104  -0.471   2.729  -3.974
  853   HAA1  HEC 201          1HAA      HEC 104   2.084   1.793  -6.634
  854   HAA2  HEC 201          2HAA      HEC 104   0.567   2.422  -6.011
  855   HBA1  HEC 201          1HBA      HEC 104   2.747   3.853  -7.224
  856   HBA2  HEC 201          2HBA      HEC 104   2.511   4.439  -5.579
  857   HMB1  HEC 201          1HMB      HEC 104   0.578  -1.675  -0.235
  858   HMB2  HEC 201          2HMB      HEC 104   1.078  -2.379   1.293
  859   HMB3  HEC 201          3HMB      HEC 104   0.209  -0.847   1.273
  860    HAB  HEC 201           HAB      HEC 104   4.227  -1.804   3.152
  861   HBB1  HEC 201          1HBB      HEC 104   2.202  -1.690   4.624
  862   HBB2  HEC 201          2HBB      HEC 104   2.025  -2.768   3.246
  863   HBB3  HEC 201          3HBB      HEC 104   1.272  -1.173   3.226
  864   HMC1  HEC 201          1HMC      HEC 104   8.467  -2.282   1.387
  865   HMC2  HEC 201          2HMC      HEC 104   8.240  -1.111   2.685
  866   HMC3  HEC 201          3HMC      HEC 104   9.781  -1.194   1.831
  867    HAC  HEC 201           HAC      HEC 104  10.646   1.589  -0.619
  868   HBC1  HEC 201          1HBC      HEC 104  11.935  -0.527   0.779
  869   HBC2  HEC 201          2HBC      HEC 104  10.865  -1.262  -0.414
  870   HBC3  HEC 201          3HBC      HEC 104  12.094  -0.105  -0.926
  871   HMD1  HEC 201          1HMD      HEC 104  10.147   2.939  -4.419
  872   HMD2  HEC 201          2HMD      HEC 104   9.459   3.082  -6.036
  873   HMD3  HEC 201          3HMD      HEC 104   9.695   1.488  -5.316
  874   HAD1  HEC 201          1HAD      HEC 104   7.760   4.606  -6.244
  875   HAD2  HEC 201          2HAD      HEC 104   6.007   4.566  -6.178
  876   HBD1  HEC 201          1HBD      HEC 104   7.522   2.436  -7.661
  877   HBD2  HEC 201          2HBD      HEC 104   5.849   2.952  -7.872
  Start of MODEL   12
    1    H1   THR  -5           1HT      THR  -5 -13.468 -11.036  -2.160
    2    H2   THR  -5           2HT      THR  -5 -11.915 -11.058  -2.848
    3    H3   THR  -5           3HT      THR  -5 -12.745  -9.586  -2.661
    4    HA   THR  -5           HA       THR  -5 -11.667 -11.319  -0.506
    5    HB   THR  -5           HB       THR  -5 -11.044  -8.463  -1.317
    6    HG1  THR  -5           1HG      THR  -5  -9.072  -9.391  -1.986
    7   HG21  THR  -5          1HG2      THR  -5  -9.080  -9.743   0.340
    8   HG22  THR  -5          2HG2      THR  -5 -10.659  -9.872   1.114
    9   HG23  THR  -5          3HG2      THR  -5 -10.020  -8.288   0.674
   10    H    GLU  -4           H        GLU  -4 -12.396 -10.854   1.576
   11    HA   GLU  -4           HA       GLU  -4 -14.788  -9.083   1.714
   12    HB2  GLU  -4           2HB      GLU  -4 -15.012 -11.465   2.454
   13    HB3  GLU  -4           1HB      GLU  -4 -13.821 -11.146   3.716
   14    HG2  GLU  -4           2HG      GLU  -4 -16.007 -10.898   4.708
   15    HG3  GLU  -4           1HG      GLU  -4 -15.318  -9.283   4.536
   16    H    PHE  -3           H        PHE  -3 -14.829  -7.331   3.124
   17    HA   PHE  -3           HA       PHE  -3 -12.214  -6.629   4.360
   18    HB2  PHE  -3           2HB      PHE  -3 -13.249  -4.987   2.801
   19    HB3  PHE  -3           1HB      PHE  -3 -14.652  -4.891   3.865
   20    HD1  PHE  -3           1HD      PHE  -3 -11.018  -4.199   3.596
   21    HD2  PHE  -3           2HD      PHE  -3 -14.584  -3.669   5.933
   22    HE1  PHE  -3           1HE      PHE  -3  -9.850  -2.519   5.000
   23    HE2  PHE  -3           2HE      PHE  -3 -13.414  -1.990   7.335
   24    HZ   PHE  -3           HZ       PHE  -3 -11.050  -1.416   6.869
   25    H    LYS  -2           H        LYS  -2 -11.995  -6.657   6.547
   26    HA   LYS  -2           HA       LYS  -2 -14.292  -7.441   8.196
   27    HB2  LYS  -2           2HB      LYS  -2 -11.392  -6.867   8.878
   28    HB3  LYS  -2           1HB      LYS  -2 -12.590  -7.458  10.031
   29    HG2  LYS  -2           2HG      LYS  -2 -12.930  -9.479   8.722
   30    HG3  LYS  -2           1HG      LYS  -2 -11.859  -8.877   7.455
   31    HD2  LYS  -2           2HD      LYS  -2 -10.696 -10.482   8.939
   32    HD3  LYS  -2           1HD      LYS  -2  -9.972  -8.876   9.027
   33    HE2  LYS  -2           2HE      LYS  -2 -10.859  -8.445  11.141
   34    HE3  LYS  -2           1HE      LYS  -2 -12.154  -9.627  10.949
   35    HZ1  LYS  -2           3HZ      LYS  -2  -9.268 -10.184  11.362
   36    HZ2  LYS  -2           1HZ      LYS  -2 -10.414 -11.374  10.977
   37    HZ3  LYS  -2           2HZ      LYS  -2 -10.540 -10.515  12.438
   38    H    ALA  -1           H        ALA  -1 -14.494  -6.196  10.385
   39    HA   ALA  -1           HA       ALA  -1 -15.603  -3.715  10.089
   40    HB1  ALA  -1           1HB      ALA  -1 -13.794  -4.336  12.435
   41    HB2  ALA  -1           2HB      ALA  -1 -15.396  -5.049  12.244
   42    HB3  ALA  -1           3HB      ALA  -1 -15.223  -3.303  12.425
   43    H    GLY   1           H        GLY   1 -12.197  -4.434   9.945
   44    HA2  GLY   1           2HA      GLY   1 -10.556  -3.017   8.949
   45    HA3  GLY   1           1HA      GLY   1 -11.692  -1.673   9.050
   46    H    SER   2           H        SER   2  -9.482  -3.672  10.971
   47    HA   SER   2           HA       SER   2  -9.337  -1.424  12.949
   48    HB2  SER   2           2HB      SER   2  -8.876  -4.382  13.442
   49    HB3  SER   2           1HB      SER   2  -8.749  -3.103  14.646
   50    HG   SER   2           HG       SER   2 -11.097  -3.021  13.272
   51    H    ALA   3           H        ALA   3  -7.254  -0.734  13.511
   52    HA   ALA   3           HA       ALA   3  -5.131  -1.440  11.637
   53    HB1  ALA   3           1HB      ALA   3  -5.130   0.837  12.280
   54    HB2  ALA   3           2HB      ALA   3  -3.790   0.136  13.188
   55    HB3  ALA   3           3HB      ALA   3  -5.333   0.440  13.986
   56    H    LYS   4           H        LYS   4  -4.646  -1.125  15.122
   57    HA   LYS   4           HA       LYS   4  -3.253  -2.426  16.508
   58    HB2  LYS   4           2HB      LYS   4  -5.465  -3.580  16.586
   59    HB3  LYS   4           1HB      LYS   4  -4.950  -4.609  15.253
   60    HG2  LYS   4           2HG      LYS   4  -4.479  -5.916  17.154
   61    HG3  LYS   4           1HG      LYS   4  -2.919  -5.190  16.776
   62    HD2  LYS   4           2HD      LYS   4  -3.207  -3.507  18.486
   63    HD3  LYS   4           1HD      LYS   4  -4.877  -4.002  18.760
   64    HE2  LYS   4           2HE      LYS   4  -4.169  -6.136  19.641
   65    HE3  LYS   4           1HE      LYS   4  -2.497  -5.828  19.176
   66    HZ1  LYS   4           3HZ      LYS   4  -2.500  -3.919  20.697
   67    HZ2  LYS   4           1HZ      LYS   4  -2.785  -5.383  21.504
   68    HZ3  LYS   4           2HZ      LYS   4  -4.075  -4.322  21.191
   69    H    LYS   5           H        LYS   5  -3.497  -5.240  14.499
   70    HA   LYS   5           HA       LYS   5  -0.670  -5.514  14.258
   71    HB2  LYS   5           2HB      LYS   5  -2.898  -6.765  12.624
   72    HB3  LYS   5           1HB      LYS   5  -1.214  -7.288  12.588
   73    HG2  LYS   5           2HG      LYS   5  -1.333  -7.698  15.050
   74    HG3  LYS   5           1HG      LYS   5  -3.048  -7.293  15.003
   75    HD2  LYS   5           2HD      LYS   5  -3.388  -9.116  13.327
   76    HD3  LYS   5           1HD      LYS   5  -1.693  -9.565  13.523
   77    HE2  LYS   5           2HE      LYS   5  -2.534 -10.963  15.124
   78    HE3  LYS   5           1HE      LYS   5  -2.469  -9.509  16.121
   79    HZ1  LYS   5           3HZ      LYS   5  -4.827 -10.328  14.516
   80    HZ2  LYS   5           1HZ      LYS   5  -4.745  -9.048  15.626
   81    HZ3  LYS   5           2HZ      LYS   5  -4.641 -10.653  16.174
   82    H    GLY   6           H        GLY   6  -3.105  -4.288  11.951
   83    HA2  GLY   6           2HA      GLY   6  -1.343  -3.922   9.750
   84    HA3  GLY   6           1HA      GLY   6  -2.822  -3.000  10.010
   85    H    ALA   7           H        ALA   7  -2.056  -1.824  12.525
   86    HA   ALA   7           HA       ALA   7  -0.641   0.471  11.581
   87    HB1  ALA   7           1HB      ALA   7  -1.712   1.176  13.447
   88    HB2  ALA   7           2HB      ALA   7  -0.332   0.526  14.333
   89    HB3  ALA   7           3HB      ALA   7  -1.781  -0.455  14.116
   90    H    THR   8           H        THR   8   0.440  -2.146  13.772
   91    HA   THR   8           HA       THR   8   3.169  -1.185  13.814
   92    HB   THR   8           HB       THR   8   3.659  -3.273  14.970
   93    HG1  THR   8           1HG      THR   8   2.602  -4.966  14.390
   94   HG21  THR   8          3HG2      THR   8   2.117  -3.084  16.817
   95   HG22  THR   8          1HG2      THR   8   0.892  -2.356  15.778
   96   HG23  THR   8          2HG2      THR   8   2.367  -1.467  16.158
   97    H    LEU   9           H        LEU   9   1.404  -3.629  11.931
   98    HA   LEU   9           HA       LEU   9   3.637  -4.785  10.597
   99    HB2  LEU   9           2HB      LEU   9   1.259  -5.617  10.466
  100    HB3  LEU   9           1HB      LEU   9   0.893  -4.251   9.411
  101    HG   LEU   9           HG       LEU   9   2.980  -5.149   8.055
  102   HD11  LEU   9          1HD1      LEU   9   3.189  -6.944   9.984
  103   HD12  LEU   9          2HD1      LEU   9   3.500  -7.401   8.310
  104   HD13  LEU   9          3HD1      LEU   9   1.946  -7.780   9.054
  105   HD21  LEU   9          3HD2      LEU   9   1.387  -6.623   6.768
  106   HD22  LEU   9          1HD2      LEU   9   0.761  -5.009   7.101
  107   HD23  LEU   9          2HD2      LEU   9   0.211  -6.384   8.061
  108    H    PHE  10           H        PHE  10   1.696  -1.917   9.922
  109    HA   PHE  10           HA       PHE  10   2.949  -1.171   7.460
  110    HB2  PHE  10           2HB      PHE  10   0.805  -0.219   8.363
  111    HB3  PHE  10           1HB      PHE  10   1.744   0.634   9.584
  112    HD1  PHE  10           2HD      PHE  10   1.118   0.320   5.940
  113    HD2  PHE  10           1HD      PHE  10   2.993   2.602   9.058
  114    HE1  PHE  10           2HE      PHE  10   1.569   2.151   4.330
  115    HE2  PHE  10           1HE      PHE  10   3.434   4.433   7.450
  116    HZ   PHE  10           HZ       PHE  10   2.733   4.207   5.089
  117    H    LYS  11           H        LYS  11   3.562  -0.245  10.832
  118    HA   LYS  11           HA       LYS  11   5.760   1.501  10.343
  119    HB2  LYS  11           2HB      LYS  11   4.443   1.226  12.508
  120    HB3  LYS  11           1HB      LYS  11   5.379  -0.239  12.788
  121    HG2  LYS  11           2HG      LYS  11   7.474   1.077  12.635
  122    HG3  LYS  11           1HG      LYS  11   6.519   2.545  12.421
  123    HD2  LYS  11           2HD      LYS  11   5.406   2.069  14.619
  124    HD3  LYS  11           1HD      LYS  11   6.520   0.720  14.841
  125    HE2  LYS  11           2HE      LYS  11   8.351   2.560  14.331
  126    HE3  LYS  11           1HE      LYS  11   7.082   3.664  14.861
  127    HZ1  LYS  11           3HZ      LYS  11   8.578   1.686  16.382
  128    HZ2  LYS  11           1HZ      LYS  11   6.932   1.834  16.765
  129    HZ3  LYS  11           2HZ      LYS  11   7.953   3.189  16.869
  130    H    THR  12           H        THR  12   5.602  -1.993  10.892
  131    HA   THR  12           HA       THR  12   8.451  -2.367  11.066
  132    HB   THR  12           HB       THR  12   7.951  -4.744  10.887
  133    HG1  THR  12           1HG      THR  12   5.279  -4.018  10.342
  134   HG21  THR  12          3HG2      THR  12   6.575  -2.916  12.674
  135   HG22  THR  12          1HG2      THR  12   7.314  -4.477  13.029
  136   HG23  THR  12          2HG2      THR  12   5.650  -4.401  12.449
  137    H    ARG  13           H        ARG  13   6.220  -2.312   8.305
  138    HA   ARG  13           HA       ARG  13   8.603  -2.419   6.554
  139    HB2  ARG  13           2HB      ARG  13   6.276  -4.345   6.351
  140    HB3  ARG  13           1HB      ARG  13   7.495  -4.136   5.094
  141    HG2  ARG  13           2HG      ARG  13   9.257  -4.709   6.784
  142    HG3  ARG  13           1HG      ARG  13   7.973  -5.060   7.941
  143    HD2  ARG  13           2HD      ARG  13   7.037  -6.714   6.288
  144    HD3  ARG  13           1HD      ARG  13   8.478  -6.459   5.304
  145    HE   ARG  13           HE       ARG  13   9.435  -7.095   7.853
  146   HH11  ARG  13          1HH2      ARG  13   7.373  -8.474   5.458
  147   HH12  ARG  13          2HH2      ARG  13   7.762 -10.110   5.875
  148   HH21  ARG  13          1HH1      ARG  13   9.956  -9.224   8.410
  149   HH22  ARG  13          2HH1      ARG  13   9.224 -10.534   7.545
  150    H    CYS  14           H        CYS  14   7.271  -0.078   6.828
  151    HA   CYS  14           HA       CYS  14   6.319   0.411   4.165
  152    HB2  CYS  14           2HB      CYS  14   4.371  -0.810   5.482
  153    HB3  CYS  14           1HB      CYS  14   4.103   0.811   6.120
  154    H    LEU  15           H        LEU  15   5.798   1.623   7.492
  155    HA   LEU  15           HA       LEU  15   5.608   4.359   6.830
  156    HB2  LEU  15           2HB      LEU  15   5.162   3.398   9.093
  157    HB3  LEU  15           1HB      LEU  15   6.898   3.194   9.313
  158    HG   LEU  15           HG       LEU  15   7.056   5.733   8.784
  159   HD11  LEU  15          1HD1      LEU  15   4.956   6.937   9.549
  160   HD12  LEU  15          2HD1      LEU  15   4.108   5.399   9.393
  161   HD13  LEU  15          3HD1      LEU  15   4.833   6.158   7.974
  162   HD21  LEU  15          3HD2      LEU  15   7.532   4.894  10.988
  163   HD22  LEU  15          1HD2      LEU  15   5.820   4.619  11.311
  164   HD23  LEU  15          2HD2      LEU  15   6.438   6.264  11.180
  165    H    GLN  16           H        GLN  16   8.494   2.364   7.321
  166    HA   GLN  16           HA       GLN  16  10.424   4.435   7.374
  167    HB2  GLN  16           2HB      GLN  16  10.648   1.673   6.135
  168    HB3  GLN  16           1HB      GLN  16  12.007   2.724   6.540
  169    HG2  GLN  16           2HG      GLN  16   9.963   1.663   8.514
  170    HG3  GLN  16           1HG      GLN  16  11.605   1.051   8.318
  171   HE21  GLN  16          1HE2      GLN  16   9.967   2.844  10.445
  172   HE22  GLN  16          2HE2      GLN  16  11.133   4.002  10.869
  173    H    CYS  17           H        CYS  17   8.740   2.941   4.645
  174    HA   CYS  17           HA       CYS  17  10.308   4.620   2.762
  175    HB2  CYS  17           2HB      CYS  17   8.322   2.383   2.318
  176    HB3  CYS  17           1HB      CYS  17   9.093   3.290   1.018
  177    H    HIS  18           H        HIS  18   6.909   4.009   3.695
  178    HA   HIS  18           HA       HIS  18   6.139   6.421   2.120
  179    HB2  HIS  18           2HB      HIS  18   4.552   4.093   3.226
  180    HB3  HIS  18           1HB      HIS  18   3.784   5.538   2.552
  181    HD1  HIS  18           1HD      HIS  18   4.466   6.084  -0.030
  182    HD2  HIS  18           2HD      HIS  18   5.382   2.263   1.347
  183    HE1  HIS  18           1HE      HIS  18   4.862   4.655  -2.092
  184    H    THR  19           H        THR  19   5.572   8.261   3.155
  185    HA   THR  19           HA       THR  19   5.548   8.258   6.111
  186    HB   THR  19           HB       THR  19   5.792  10.632   5.947
  187    HG1  THR  19           1HG      THR  19   4.425  11.359   4.489
  188   HG21  THR  19          3HG2      THR  19   7.341  10.259   3.529
  189   HG22  THR  19          1HG2      THR  19   7.510   8.860   4.590
  190   HG23  THR  19          2HG2      THR  19   7.903  10.472   5.186
  191    H    VAL  20           H        VAL  20   3.333   8.509   3.434
  192    HA   VAL  20           HA       VAL  20   1.004   8.808   3.370
  193    HB   VAL  20           HB       VAL  20   0.998   8.005   6.277
  194   HG11  VAL  20          1HG1      VAL  20  -0.836   7.560   3.907
  195   HG12  VAL  20          2HG1      VAL  20  -1.170   8.516   5.351
  196   HG13  VAL  20          3HG1      VAL  20  -1.046   6.760   5.464
  197   HG21  VAL  20          3HG2      VAL  20   0.985   5.632   5.372
  198   HG22  VAL  20          1HG2      VAL  20   2.538   6.464   5.271
  199   HG23  VAL  20          2HG2      VAL  20   1.531   6.300   3.833
  200    H    GLU  21           H        GLU  21   2.964  10.779   5.139
  201    HA   GLU  21           HA       GLU  21   0.731  12.344   6.329
  202    HB2  GLU  21           2HB      GLU  21   2.786  11.885   7.692
  203    HB3  GLU  21           1HB      GLU  21   3.719  12.824   6.525
  204    HG2  GLU  21           2HG      GLU  21   2.239  14.781   6.967
  205    HG3  GLU  21           1HG      GLU  21   1.409  13.838   8.206
  206    H    LYS  22           H        LYS  22  -0.082  14.049   5.215
  207    HA   LYS  22           HA       LYS  22   1.037  14.847   2.671
  208    HB2  LYS  22           2HB      LYS  22  -0.775  16.447   2.584
  209    HB3  LYS  22           1HB      LYS  22  -1.409  14.956   3.281
  210    HG2  LYS  22           2HG      LYS  22  -1.016  15.925   5.562
  211    HG3  LYS  22           1HG      LYS  22  -0.566  17.447   4.790
  212    HD2  LYS  22           2HD      LYS  22  -2.823  17.366   3.607
  213    HD3  LYS  22           1HD      LYS  22  -3.250  16.058   4.710
  214    HE2  LYS  22           2HE      LYS  22  -2.532  17.657   6.600
  215    HE3  LYS  22           1HE      LYS  22  -2.604  18.930   5.380
  216    HZ1  LYS  22           3HZ      LYS  22  -4.801  18.960   5.507
  217    HZ2  LYS  22           1HZ      LYS  22  -4.708  17.902   6.830
  218    HZ3  LYS  22           2HZ      LYS  22  -4.910  17.282   5.260
  219    H    GLY  23           H        GLY  23   1.027  16.275   5.925
  220    HA2  GLY  23           2HA      GLY  23   2.233  18.761   5.248
  221    HA3  GLY  23           1HA      GLY  23   2.343  17.992   6.831
  222    H    GLY  24           H        GLY  24   3.655  15.594   5.945
  223    HA2  GLY  24           2HA      GLY  24   6.385  16.602   5.850
  224    HA3  GLY  24           1HA      GLY  24   5.914  14.903   5.883
  225    HA   PRO  25           HA       PRO  25   6.960  16.428   1.463
  226    HB2  PRO  25           2HB      PRO  25   9.612  15.848   1.286
  227    HB3  PRO  25           1HB      PRO  25   9.019  17.414   1.870
  228    HG2  PRO  25           2HG      PRO  25   9.996  15.064   3.422
  229    HG3  PRO  25           1HG      PRO  25  10.311  16.789   3.670
  230    HD2  PRO  25           2HD      PRO  25   8.466  15.392   5.134
  231    HD3  PRO  25           1HD      PRO  25   8.321  17.132   4.797
  232    H    HIS  26           H        HIS  26   8.844  14.764   0.090
  233    HA   HIS  26           HA       HIS  26   7.485  12.127   0.392
  234    HB2  HIS  26           2HB      HIS  26   8.949  13.407  -1.931
  235    HB3  HIS  26           1HB      HIS  26   8.428  11.723  -1.932
  236    HD1  HIS  26           1HD      HIS  26   5.930  11.242  -2.232
  237    HD2  HIS  26           2HD      HIS  26   6.780  15.318  -1.972
  238    HE1  HIS  26           1HE      HIS  26   3.807  12.460  -2.895
  239    HE2  HIS  26           2HE      HIS  26   4.313  14.942  -2.732
  240    H    LYS  27           H        LYS  27   8.667  10.373   1.022
  241    HA   LYS  27           HA       LYS  27  11.589  10.784   1.422
  242    HB2  LYS  27           2HB      LYS  27   9.627   8.830   2.656
  243    HB3  LYS  27           1HB      LYS  27  11.363   8.759   2.934
  244    HG2  LYS  27           2HG      LYS  27  11.246  11.175   3.684
  245    HG3  LYS  27           1HG      LYS  27   9.490  11.019   3.645
  246    HD2  LYS  27           2HD      LYS  27   9.688   9.061   5.205
  247    HD3  LYS  27           1HD      LYS  27  11.416   9.385   5.322
  248    HE2  LYS  27           2HE      LYS  27  11.097  11.084   6.770
  249    HE3  LYS  27           1HE      LYS  27   9.833  11.794   5.766
  250    HZ1  LYS  27           3HZ      LYS  27   8.233  10.825   6.964
  251    HZ2  LYS  27           1HZ      LYS  27   9.425  10.616   8.153
  252    HZ3  LYS  27           2HZ      LYS  27   9.064   9.347   7.082
  253    H    VAL  28           H        VAL  28  11.913   7.781   1.612
  254    HA   VAL  28           HA       VAL  28  12.933   7.254  -0.930
  255    HB   VAL  28           HB       VAL  28  11.778   5.353   1.126
  256   HG11  VAL  28          1HG1      VAL  28  13.252   4.806  -1.462
  257   HG12  VAL  28          2HG1      VAL  28  11.686   4.170  -0.958
  258   HG13  VAL  28          3HG1      VAL  28  13.158   3.632  -0.148
  259   HG21  VAL  28          3HG2      VAL  28  14.243   4.904   1.471
  260   HG22  VAL  28          1HG2      VAL  28  13.740   6.538   1.902
  261   HG23  VAL  28          2HG2      VAL  28  14.579   6.246   0.379
  262    H    GLY  29           H        GLY  29   9.638   6.615   0.264
  263    HA2  GLY  29           2HA      GLY  29   8.843   6.047  -2.568
  264    HA3  GLY  29           1HA      GLY  29   8.050   5.312  -1.175
  265    HA   PRO  30           HA       PRO  30   6.171   9.537  -2.570
  266    HB2  PRO  30           2HB      PRO  30   3.823   8.425  -3.576
  267    HB3  PRO  30           1HB      PRO  30   5.201   8.960  -4.555
  268    HG2  PRO  30           2HG      PRO  30   4.442   6.226  -3.691
  269    HG3  PRO  30           1HG      PRO  30   5.188   6.773  -5.202
  270    HD2  PRO  30           2HD      PRO  30   6.623   5.543  -3.247
  271    HD3  PRO  30           1HD      PRO  30   7.330   6.786  -4.303
  272    H    ASN  31           H        ASN  31   4.437  10.528  -1.374
  273    HA   ASN  31           HA       ASN  31   3.696   9.055   1.056
  274    HB2  ASN  31           2HB      ASN  31   2.875  11.843   0.191
  275    HB3  ASN  31           1HB      ASN  31   2.786  11.173   1.820
  276   HD21  ASN  31          1HD2      ASN  31   5.318   9.893   1.986
  277   HD22  ASN  31          2HD2      ASN  31   6.535  11.073   1.905
  278    H    LEU  32           H        LEU  32   1.635   8.307   1.548
  279    HA   LEU  32           HA       LEU  32  -0.294   8.280  -0.712
  280    HB2  LEU  32           2HB      LEU  32  -0.225   6.699   1.879
  281    HB3  LEU  32           1HB      LEU  32  -1.448   6.522   0.624
  282    HG   LEU  32           HG       LEU  32   0.416   6.014  -1.005
  283   HD11  LEU  32          1HD1      LEU  32   2.473   6.609  -0.238
  284   HD12  LEU  32          2HD1      LEU  32   2.429   5.047   0.582
  285   HD13  LEU  32          3HD1      LEU  32   1.979   6.512   1.451
  286   HD21  LEU  32          3HD2      LEU  32   0.321   4.122   1.357
  287   HD22  LEU  32          1HD2      LEU  32   0.580   3.710  -0.338
  288   HD23  LEU  32          2HD2      LEU  32  -0.999   4.284   0.199
  289    H    HIS  33           H        HIS  33  -2.316   9.219  -0.552
  290    HA   HIS  33           HA       HIS  33  -3.546  10.024   1.913
  291    HB2  HIS  33           2HB      HIS  33  -3.271  12.452   1.746
  292    HB3  HIS  33           1HB      HIS  33  -1.684  11.691   1.860
  293    HD1  HIS  33           1HD      HIS  33  -0.441  11.300  -0.530
  294    HD2  HIS  33           2HD      HIS  33  -3.605  14.019  -0.526
  295    HE1  HIS  33           1HE      HIS  33  -0.214  12.671  -2.651
  296    HE2  HIS  33           2HE      HIS  33  -2.134  14.328  -2.657
  297    H    GLY  34           H        GLY  34  -5.371   9.116   0.891
  298    HA2  GLY  34           2HA      GLY  34  -7.455   9.571  -0.202
  299    HA3  GLY  34           1HA      GLY  34  -6.680  10.898  -1.074
  300    H    ILE  35           H        ILE  35  -4.681   8.221  -1.118
  301    HA   ILE  35           HA       ILE  35  -4.826   7.848  -3.926
  302    HB   ILE  35           HB       ILE  35  -2.950   7.139  -2.342
  303   HG12  ILE  35          2HG1      ILE  35  -3.875   4.950  -4.219
  304   HG13  ILE  35          1HG1      ILE  35  -3.219   6.481  -4.801
  305   HG21  ILE  35          1HG2      ILE  35  -3.106   4.998  -1.272
  306   HG22  ILE  35          2HG2      ILE  35  -4.632   4.636  -2.078
  307   HG23  ILE  35          3HG2      ILE  35  -4.567   5.880  -0.831
  308   HD11  ILE  35          3HD1      ILE  35  -1.185   6.049  -3.360
  309   HD12  ILE  35          1HD1      ILE  35  -1.388   4.923  -4.700
  310   HD13  ILE  35          2HD1      ILE  35  -1.822   4.432  -3.063
  311    H    PHE  36           H        PHE  36  -6.775   6.544  -1.356
  312    HA   PHE  36           HA       PHE  36  -7.757   4.215  -2.700
  313    HB2  PHE  36           2HB      PHE  36  -8.997   5.998  -0.586
  314    HB3  PHE  36           1HB      PHE  36  -9.708   4.478  -1.123
  315    HD1  PHE  36           2HD      PHE  36  -8.603   2.331  -0.670
  316    HD2  PHE  36           1HD      PHE  36  -6.960   6.038   0.756
  317    HE1  PHE  36           2HE      PHE  36  -7.121   1.080   0.873
  318    HE2  PHE  36           1HE      PHE  36  -5.478   4.783   2.300
  319    HZ   PHE  36           HZ       PHE  36  -5.559   2.305   2.355
  320    H    GLY  37           H        GLY  37  -9.336   4.006  -4.255
  321    HA2  GLY  37           2HA      GLY  37 -11.059   4.636  -5.738
  322    HA3  GLY  37           1HA      GLY  37 -11.282   6.104  -4.785
  323    H    ARG  38           H        ARG  38  -8.103   5.301  -5.936
  324    HA   ARG  38           HA       ARG  38  -8.354   7.403  -8.047
  325    HB2  ARG  38           2HB      ARG  38  -5.952   6.900  -6.267
  326    HB3  ARG  38           1HB      ARG  38  -6.103   8.166  -7.484
  327    HG2  ARG  38           2HG      ARG  38  -7.964   7.918  -5.108
  328    HG3  ARG  38           1HG      ARG  38  -6.520   8.928  -5.105
  329    HD2  ARG  38           2HD      ARG  38  -7.453  10.049  -7.198
  330    HD3  ARG  38           1HD      ARG  38  -8.965   9.205  -6.866
  331    HE   ARG  38           HE       ARG  38  -8.003  11.533  -5.456
  332   HH11  ARG  38          1HH2      ARG  38  -9.657   8.525  -5.149
  333   HH12  ARG  38          2HH2      ARG  38 -10.593   9.026  -3.781
  334   HH21  ARG  38          1HH1      ARG  38  -9.217  12.207  -3.671
  335   HH22  ARG  38          2HH1      ARG  38 -10.344  11.111  -2.944
  336    H    HIS  39           H        HIS  39  -7.034   7.074  -9.917
  337    HA   HIS  39           HA       HIS  39  -5.957   4.299 -10.169
  338    HB2  HIS  39           2HB      HIS  39  -8.099   5.186 -11.518
  339    HB3  HIS  39           1HB      HIS  39  -6.838   5.792 -12.591
  340    HD1  HIS  39           1HD      HIS  39  -8.886   3.201 -12.912
  341    HD2  HIS  39           2HD      HIS  39  -4.763   3.181 -12.277
  342    HE1  HIS  39           1HE      HIS  39  -8.042   0.961 -13.744
  343    HE2  HIS  39           2HE      HIS  39  -5.535   0.939 -13.363
  344    H    SER  40           H        SER  40  -3.886   4.116 -10.929
  345    HA   SER  40           HA       SER  40  -1.864   4.736 -11.975
  346    HB2  SER  40           2HB      SER  40  -2.752   7.541 -12.444
  347    HB3  SER  40           1HB      SER  40  -1.822   6.467 -13.484
  348    HG   SER  40           HG       SER  40  -3.723   5.341 -13.934
  349    H    GLY  41           H        GLY  41  -0.253   6.812 -11.701
  350    HA2  GLY  41           2HA      GLY  41   0.071   7.048  -8.801
  351    HA3  GLY  41           1HA      GLY  41   1.198   7.636 -10.024
  352    H    GLN  42           H        GLN  42  -2.070   8.343  -8.745
  353    HA   GLN  42           HA       GLN  42  -2.264  10.970  -9.807
  354    HB2  GLN  42           2HB      GLN  42  -4.145   9.689  -8.747
  355    HB3  GLN  42           1HB      GLN  42  -3.416  10.010  -7.172
  356    HG2  GLN  42           2HG      GLN  42  -3.530  12.463  -7.680
  357    HG3  GLN  42           1HG      GLN  42  -4.407  12.074  -9.159
  358   HE21  GLN  42          1HE2      GLN  42  -6.586  12.520  -8.792
  359   HE22  GLN  42          2HE2      GLN  42  -7.443  12.086  -7.393
  360    H    ALA  43           H        ALA  43  -0.749   9.795  -6.813
  361    HA   ALA  43           HA       ALA  43  -0.314  12.282  -5.548
  362    HB1  ALA  43           1HB      ALA  43   0.365  10.565  -4.173
  363    HB2  ALA  43           2HB      ALA  43   1.939  11.004  -4.838
  364    HB3  ALA  43           3HB      ALA  43   1.051   9.631  -5.502
  365    H    GLU  44           H        GLU  44   1.231  13.887  -5.794
  366    HA   GLU  44           HA       GLU  44   3.093  13.601  -8.121
  367    HB2  GLU  44           2HB      GLU  44   1.615  16.091  -7.210
  368    HB3  GLU  44           1HB      GLU  44   2.764  16.012  -8.546
  369    HG2  GLU  44           2HG      GLU  44   1.310  14.333  -9.667
  370    HG3  GLU  44           1HG      GLU  44   0.140  14.503  -8.358
  371    H    GLY  45           H        GLY  45   5.016  15.075  -7.935
  372    HA2  GLY  45           2HA      GLY  45   6.505  16.413  -6.545
  373    HA3  GLY  45           1HA      GLY  45   5.689  15.772  -5.119
  374    H    TYR  46           H        TYR  46   5.905  13.094  -6.861
  375    HA   TYR  46           HA       TYR  46   8.755  12.527  -6.183
  376    HB2  TYR  46           2HB      TYR  46   7.195  11.699  -4.371
  377    HB3  TYR  46           1HB      TYR  46   6.476  10.628  -5.574
  378    HD1  TYR  46           1HD      TYR  46   9.684  11.516  -3.901
  379    HD2  TYR  46           2HD      TYR  46   7.530   8.588  -6.188
  380    HE1  TYR  46           1HE      TYR  46  11.521   9.890  -3.547
  381    HE2  TYR  46           2HE      TYR  46   9.373   6.961  -5.837
  382    HH   TYR  46           HH       TYR  46  12.039   7.291  -5.312
  383    H    SER  47           H        SER  47   9.774  11.163  -7.659
  384    HA   SER  47           HA       SER  47   8.510  10.850 -10.242
  385    HB2  SER  47           2HB      SER  47  10.585   9.896 -10.949
  386    HB3  SER  47           1HB      SER  47  11.001  11.154  -9.787
  387    HG   SER  47           HG       SER  47  11.994   9.595  -8.790
  388    H    TYR  48           H        TYR  48   8.195   8.772 -11.342
  389    HA   TYR  48           HA       TYR  48   7.452   6.577  -9.446
  390    HB2  TYR  48           2HB      TYR  48   6.088   7.606 -11.930
  391    HB3  TYR  48           1HB      TYR  48   5.811   5.961 -11.361
  392    HD1  TYR  48           1HD      TYR  48   5.950   9.462 -10.001
  393    HD2  TYR  48           2HD      TYR  48   4.071   5.600  -9.866
  394    HE1  TYR  48           1HE      TYR  48   4.331  10.306  -8.321
  395    HE2  TYR  48           2HE      TYR  48   2.457   6.443  -8.187
  396    HH   TYR  48           HH       TYR  48   1.850   8.155  -6.922
  397    H    THR  49           H        THR  49   7.954   4.438 -10.115
  398    HA   THR  49           HA       THR  49  10.221   4.256 -11.953
  399    HB   THR  49           HB       THR  49  10.290   1.906 -11.320
  400    HG1  THR  49           1HG      THR  49   7.747   2.120 -11.184
  401   HG21  THR  49          3HG2      THR  49  11.305   2.841  -9.523
  402   HG22  THR  49          1HG2      THR  49   9.824   2.420  -8.666
  403   HG23  THR  49          2HG2      THR  49  10.036   4.046  -9.315
  404    H    ASP  50           H        ASP  50  10.220   2.757 -13.808
  405    HA   ASP  50           HA       ASP  50   8.088   3.217 -15.616
  406    HB2  ASP  50           2HB      ASP  50  10.202   1.060 -15.591
  407    HB3  ASP  50           1HB      ASP  50   9.127   1.362 -16.955
  408    H    ALA  51           H        ALA  51   8.600   0.655 -13.273
  409    HA   ALA  51           HA       ALA  51   6.860  -1.326 -14.187
  410    HB1  ALA  51           1HB      ALA  51   6.828  -2.148 -12.002
  411    HB2  ALA  51           2HB      ALA  51   6.819  -0.536 -11.287
  412    HB3  ALA  51           3HB      ALA  51   8.297  -1.175 -12.005
  413    H    ASN  52           H        ASN  52   5.733   0.868 -11.592
  414    HA   ASN  52           HA       ASN  52   2.992   0.409 -12.063
  415    HB2  ASN  52           2HB      ASN  52   3.882   1.523 -10.034
  416    HB3  ASN  52           1HB      ASN  52   4.239   2.957 -10.996
  417   HD21  ASN  52          1HD2      ASN  52   1.502   0.884  -9.909
  418   HD22  ASN  52          2HD2      ASN  52   0.325   2.096 -10.079
  419    H    ILE  53           H        ILE  53   5.058   2.994 -13.450
  420    HA   ILE  53           HA       ILE  53   2.962   4.349 -14.809
  421    HB   ILE  53           HB       ILE  53   5.847   4.020 -15.691
  422   HG12  ILE  53          2HG1      ILE  53   4.559   6.165 -13.971
  423   HG13  ILE  53          1HG1      ILE  53   5.578   4.866 -13.352
  424   HG21  ILE  53          1HG2      ILE  53   4.611   6.562 -16.236
  425   HG22  ILE  53          2HG2      ILE  53   3.619   5.267 -16.904
  426   HG23  ILE  53          3HG2      ILE  53   5.313   5.410 -17.374
  427   HD11  ILE  53          3HD1      ILE  53   6.332   7.245 -15.001
  428   HD12  ILE  53          1HD1      ILE  53   7.255   5.757 -15.209
  429   HD13  ILE  53          2HD1      ILE  53   7.169   6.527 -13.626
  430    H    LYS  54           H        LYS  54   5.142   1.758 -15.954
  431    HA   LYS  54           HA       LYS  54   3.975   1.482 -18.542
  432    HB2  LYS  54           2HB      LYS  54   6.144   0.444 -17.820
  433    HB3  LYS  54           1HB      LYS  54   5.222  -0.708 -16.851
  434    HG2  LYS  54           2HG      LYS  54   4.033  -1.453 -18.900
  435    HG3  LYS  54           1HG      LYS  54   5.020  -0.345 -19.855
  436    HD2  LYS  54           2HD      LYS  54   7.064  -1.522 -19.003
  437    HD3  LYS  54           1HD      LYS  54   6.008  -2.697 -18.218
  438    HE2  LYS  54           2HE      LYS  54   5.958  -3.845 -20.153
  439    HE3  LYS  54           1HE      LYS  54   5.071  -2.497 -20.866
  440    HZ1  LYS  54           3HZ      LYS  54   8.029  -2.740 -20.740
  441    HZ2  LYS  54           1HZ      LYS  54   7.170  -1.456 -21.438
  442    HZ3  LYS  54           2HZ      LYS  54   7.074  -3.010 -22.119
  443    H    LYS  55           H        LYS  55   3.160   0.089 -15.401
  444    HA   LYS  55           HA       LYS  55   0.618  -0.935 -16.607
  445    HB2  LYS  55           2HB      LYS  55   2.158  -2.788 -15.974
  446    HB3  LYS  55           1HB      LYS  55   2.197  -2.166 -14.325
  447    HG2  LYS  55           2HG      LYS  55  -0.254  -2.470 -14.156
  448    HG3  LYS  55           1HG      LYS  55  -0.277  -3.125 -15.795
  449    HD2  LYS  55           2HD      LYS  55   1.325  -4.903 -15.044
  450    HD3  LYS  55           1HD      LYS  55   1.157  -4.297 -13.396
  451    HE2  LYS  55           2HE      LYS  55  -0.744  -5.468 -13.133
  452    HE3  LYS  55           1HE      LYS  55  -1.460  -4.646 -14.520
  453    HZ1  LYS  55           3HZ      LYS  55  -1.357  -7.059 -14.817
  454    HZ2  LYS  55           1HZ      LYS  55   0.332  -7.007 -14.679
  455    HZ3  LYS  55           2HZ      LYS  55  -0.437  -6.239 -15.986
  456    H    ASN  56           H        ASN  56  -0.974   0.384 -15.854
  457    HA   ASN  56           HA       ASN  56  -0.700   1.488 -13.100
  458    HB2  ASN  56           2HB      ASN  56  -2.117   2.400 -15.573
  459    HB3  ASN  56           1HB      ASN  56  -2.775   2.867 -14.004
  460   HD21  ASN  56          1HD2      ASN  56  -0.370   3.163 -12.521
  461   HD22  ASN  56          2HD2      ASN  56   0.524   4.451 -13.169
  462    H    VAL  57           H        VAL  57  -2.296   1.139 -11.574
  463    HA   VAL  57           HA       VAL  57  -4.495  -0.733 -12.330
  464    HB   VAL  57           HB       VAL  57  -2.664  -1.980 -11.239
  465   HG11  VAL  57          1HG1      VAL  57  -3.119  -0.553  -8.667
  466   HG12  VAL  57          2HG1      VAL  57  -2.170   0.298  -9.883
  467   HG13  VAL  57          3HG1      VAL  57  -1.644  -1.281  -9.304
  468   HG21  VAL  57          3HG2      VAL  57  -5.067  -1.552  -9.430
  469   HG22  VAL  57          1HG2      VAL  57  -4.000  -2.956  -9.410
  470   HG23  VAL  57          2HG2      VAL  57  -5.017  -2.642 -10.815
  471    H    LEU  58           H        LEU  58  -6.419  -0.477 -11.092
  472    HA   LEU  58           HA       LEU  58  -6.835   2.196 -10.024
  473    HB2  LEU  58           2HB      LEU  58  -8.634   0.964 -11.199
  474    HB3  LEU  58           1HB      LEU  58  -8.624  -0.256  -9.925
  475    HG   LEU  58           HG       LEU  58  -9.192   1.514  -8.265
  476   HD11  LEU  58          1HD1      LEU  58  -8.598   3.598  -8.970
  477   HD12  LEU  58          2HD1      LEU  58 -10.204   3.599  -9.697
  478   HD13  LEU  58          3HD1      LEU  58  -8.793   3.185 -10.673
  479   HD21  LEU  58          3HD2      LEU  58 -11.170   0.510  -8.841
  480   HD22  LEU  58          1HD2      LEU  58 -10.904   0.750 -10.568
  481   HD23  LEU  58          2HD2      LEU  58 -11.495   2.081  -9.575
  482    H    TRP  59           H        TRP  59  -6.559   2.815  -7.923
  483    HA   TRP  59           HA       TRP  59  -5.857   0.701  -5.969
  484    HB2  TRP  59           2HB      TRP  59  -5.555   3.712  -5.942
  485    HB3  TRP  59           1HB      TRP  59  -5.184   2.694  -4.549
  486    HD1  TRP  59           HD       TRP  59  -3.736   3.939  -7.736
  487    HE1  TRP  59           1HE      TRP  59  -1.469   2.794  -8.194
  488    HE3  TRP  59           3HE      TRP  59  -3.895   0.235  -4.227
  489    HZ2  TRP  59           2HZ      TRP  59   0.071   0.594  -7.201
  490    HZ3  TRP  59           3HZ      TRP  59  -2.021  -1.365  -4.004
  491    HH2  TRP  59           HH       TRP  59  -0.040  -1.192  -5.484
  492    H    ASP  60           H        ASP  60  -7.311   0.006  -4.555
  493    HA   ASP  60           HA       ASP  60  -9.235   1.781  -3.274
  494    HB2  ASP  60           2HB      ASP  60 -11.234   0.491  -4.016
  495    HB3  ASP  60           1HB      ASP  60 -10.447   1.327  -5.356
  496    H    GLU  61           H        GLU  61 -10.869   0.028  -2.022
  497    HA   GLU  61           HA       GLU  61  -9.177  -1.254  -0.128
  498    HB2  GLU  61           2HB      GLU  61 -12.090  -1.798  -0.775
  499    HB3  GLU  61           1HB      GLU  61 -11.255  -2.356   0.675
  500    HG2  GLU  61           2HG      GLU  61 -10.763  -0.003   1.281
  501    HG3  GLU  61           1HG      GLU  61 -11.652   0.536  -0.144
  502    H    ASN  62           H        ASN  62 -10.958  -2.610  -2.908
  503    HA   ASN  62           HA       ASN  62 -10.146  -5.332  -2.386
  504    HB2  ASN  62           2HB      ASN  62 -12.115  -4.744  -3.775
  505    HB3  ASN  62           1HB      ASN  62 -11.034  -4.061  -4.992
  506   HD21  ASN  62          1HD2      ASN  62  -9.949  -5.510  -6.407
  507   HD22  ASN  62          2HD2      ASN  62 -10.158  -7.197  -6.353
  508    H    ASN  63           H        ASN  63  -9.058  -2.980  -4.840
  509    HA   ASN  63           HA       ASN  63  -6.966  -4.558  -5.906
  510    HB2  ASN  63           2HB      ASN  63  -7.910  -2.408  -6.854
  511    HB3  ASN  63           1HB      ASN  63  -6.923  -1.545  -5.674
  512   HD21  ASN  63          1HD2      ASN  63  -4.896  -0.963  -6.450
  513   HD22  ASN  63          2HD2      ASN  63  -4.052  -1.769  -7.681
  514    H    MET  64           H        MET  64  -6.949  -2.327  -3.140
  515    HA   MET  64           HA       MET  64  -4.143  -2.297  -2.702
  516    HB2  MET  64           2HB      MET  64  -6.466  -2.098  -0.770
  517    HB3  MET  64           1HB      MET  64  -4.787  -1.865  -0.283
  518    HG2  MET  64           2HG      MET  64  -5.759  -0.347  -2.661
  519    HG3  MET  64           1HG      MET  64  -6.302   0.186  -1.070
  520    HE1  MET  64           3HE      MET  64  -3.833   2.531  -2.476
  521    HE2  MET  64           1HE      MET  64  -4.370   2.732  -0.802
  522    HE3  MET  64           2HE      MET  64  -5.485   2.119  -2.020
  523    H    SER  65           H        SER  65  -6.626  -4.592  -1.607
  524    HA   SER  65           HA       SER  65  -4.844  -6.171   0.005
  525    HB2  SER  65           2HB      SER  65  -6.598  -7.846  -0.016
  526    HB3  SER  65           1HB      SER  65  -7.359  -6.262   0.102
  527    HG   SER  65           HG       SER  65  -7.914  -6.372  -2.020
  528    H    GLU  66           H        GLU  66  -5.693  -6.228  -3.430
  529    HA   GLU  66           HA       GLU  66  -4.430  -8.734  -4.038
  530    HB2  GLU  66           2HB      GLU  66  -4.973  -6.301  -5.767
  531    HB3  GLU  66           1HB      GLU  66  -4.441  -7.864  -6.382
  532    HG2  GLU  66           2HG      GLU  66  -6.450  -8.925  -5.376
  533    HG3  GLU  66           1HG      GLU  66  -6.996  -7.335  -4.840
  534    H    HIS  67           H        HIS  67  -3.262  -5.404  -3.862
  535    HA   HIS  67           HA       HIS  67  -0.724  -5.770  -5.078
  536    HB2  HIS  67           2HB      HIS  67  -1.693  -3.568  -4.447
  537    HB3  HIS  67           1HB      HIS  67  -1.423  -3.958  -2.749
  538    HD1  HIS  67           1HD      HIS  67   0.654  -3.818  -5.949
  539    HD2  HIS  67           2HD      HIS  67   1.029  -3.067  -1.880
  540    HE1  HIS  67           1HE      HIS  67   2.994  -2.913  -5.612
  541    HE2  HIS  67           2HE      HIS  67   3.237  -2.457  -3.127
  542    H    LEU  68           H        LEU  68  -1.691  -6.104  -1.667
  543    HA   LEU  68           HA       LEU  68   0.910  -6.912  -0.749
  544    HB2  LEU  68           2HB      LEU  68  -1.824  -7.444   0.453
  545    HB3  LEU  68           1HB      LEU  68  -0.283  -7.606   1.291
  546    HG   LEU  68           HG       LEU  68  -1.349  -5.040   0.084
  547   HD11  LEU  68          1HD1      LEU  68  -1.199  -6.071   2.923
  548   HD12  LEU  68          2HD1      LEU  68  -2.629  -5.525   2.047
  549   HD13  LEU  68          3HD1      LEU  68  -1.400  -4.361   2.540
  550   HD21  LEU  68          3HD2      LEU  68   1.249  -5.874   1.248
  551   HD22  LEU  68          1HD2      LEU  68   0.633  -4.310   1.767
  552   HD23  LEU  68          2HD2      LEU  68   0.902  -4.626   0.053
  553    H    THR  69           H        THR  69  -1.845  -8.654  -2.079
  554    HA   THR  69           HA       THR  69  -1.166 -11.276  -1.264
  555    HB   THR  69           HB       THR  69  -2.394 -10.502  -3.920
  556    HG1  THR  69           1HG      THR  69  -3.310  -9.648  -1.838
  557   HG21  THR  69          3HG2      THR  69  -1.921 -12.823  -3.933
  558   HG22  THR  69          1HG2      THR  69  -3.610 -12.721  -3.432
  559   HG23  THR  69          2HG2      THR  69  -2.348 -13.002  -2.230
  560    H    ASN  70           H        ASN  70   0.054  -9.393  -4.029
  561    HA   ASN  70           HA       ASN  70   2.412 -11.103  -4.145
  562    HB2  ASN  70           2HB      ASN  70   0.217 -11.336  -6.182
  563    HB3  ASN  70           1HB      ASN  70   1.894 -11.545  -6.687
  564   HD21  ASN  70          1HD2      ASN  70   3.184 -13.177  -5.272
  565   HD22  ASN  70          2HD2      ASN  70   2.346 -14.546  -4.724
  566    HA   PRO  71           HA       PRO  71   2.693  -6.549  -5.395
  567    HB2  PRO  71           2HB      PRO  71   5.224  -6.972  -3.896
  568    HB3  PRO  71           1HB      PRO  71   4.061  -5.639  -3.795
  569    HG2  PRO  71           2HG      PRO  71   4.274  -7.563  -1.914
  570    HG3  PRO  71           1HG      PRO  71   2.764  -6.709  -2.269
  571    HD2  PRO  71           2HD      PRO  71   3.514  -9.505  -2.888
  572    HD3  PRO  71           1HD      PRO  71   1.906  -8.776  -2.737
  573    H    ALA  72           H        ALA  72   4.638  -9.415  -5.764
  574    HA   ALA  72           HA       ALA  72   6.734  -8.282  -7.378
  575    HB1  ALA  72           1HB      ALA  72   7.052 -10.451  -6.352
  576    HB2  ALA  72           2HB      ALA  72   7.092 -10.664  -8.102
  577    HB3  ALA  72           3HB      ALA  72   5.646 -11.104  -7.193
  578    H    LYS  73           H        LYS  73   4.477 -10.697  -8.686
  579    HA   LYS  73           HA       LYS  73   4.660  -9.774 -11.352
  580    HB2  LYS  73           2HB      LYS  73   3.724 -11.988 -10.644
  581    HB3  LYS  73           1HB      LYS  73   2.272 -11.152 -10.092
  582    HG2  LYS  73           2HG      LYS  73   1.935 -10.261 -12.385
  583    HG3  LYS  73           1HG      LYS  73   3.348 -11.166 -12.926
  584    HD2  LYS  73           2HD      LYS  73   2.231 -13.270 -12.134
  585    HD3  LYS  73           1HD      LYS  73   0.785 -12.317 -11.794
  586    HE2  LYS  73           2HE      LYS  73   0.204 -12.772 -13.938
  587    HE3  LYS  73           1HE      LYS  73   1.399 -11.549 -14.370
  588    HZ1  LYS  73           3HZ      LYS  73   1.456 -14.322 -14.869
  589    HZ2  LYS  73           1HZ      LYS  73   2.779 -13.911 -13.890
  590    HZ3  LYS  73           2HZ      LYS  73   2.549 -13.126 -15.381
  591    H    TYR  74           H        TYR  74   2.510  -8.798  -8.740
  592    HA   TYR  74           HA       TYR  74   0.593  -7.314 -10.182
  593    HB2  TYR  74           2HB      TYR  74   0.505  -7.782  -7.755
  594    HB3  TYR  74           1HB      TYR  74   1.856  -6.683  -7.501
  595    HD1  TYR  74           2HD      TYR  74  -1.720  -6.929  -8.384
  596    HD2  TYR  74           1HD      TYR  74   1.584  -4.289  -7.651
  597    HE1  TYR  74           2HE      TYR  74  -3.290  -5.017  -8.169
  598    HE2  TYR  74           1HE      TYR  74   0.017  -2.389  -7.429
  599    HH   TYR  74           HH       TYR  74  -2.076  -1.757  -7.348
  600    H    ILE  75           H        ILE  75   3.704  -6.164  -8.813
  601    HA   ILE  75           HA       ILE  75   3.913  -4.229 -11.036
  602    HB   ILE  75           HB       ILE  75   3.649  -3.450  -8.132
  603   HG12  ILE  75          2HG1      ILE  75   2.638  -2.206 -10.712
  604   HG13  ILE  75          1HG1      ILE  75   1.704  -3.310  -9.704
  605   HG21  ILE  75          1HG2      ILE  75   5.452  -2.269 -10.189
  606   HG22  ILE  75          2HG2      ILE  75   5.574  -2.231  -8.431
  607   HG23  ILE  75          3HG2      ILE  75   4.483  -1.132  -9.261
  608   HD11  ILE  75          3HD1      ILE  75   2.141  -1.669  -7.778
  609   HD12  ILE  75          1HD1      ILE  75   1.020  -1.134  -9.031
  610   HD13  ILE  75          2HD1      ILE  75   2.678  -0.535  -9.017
  611    HA   PRO  76           HA       PRO  76   7.924  -6.106  -9.775
  612    HB2  PRO  76           2HB      PRO  76   8.572  -7.177 -12.176
  613    HB3  PRO  76           1HB      PRO  76   7.481  -7.992 -11.040
  614    HG2  PRO  76           2HG      PRO  76   6.859  -6.521 -13.531
  615    HG3  PRO  76           1HG      PRO  76   6.042  -7.910 -12.801
  616    HD2  PRO  76           2HD      PRO  76   5.196  -5.225 -12.638
  617    HD3  PRO  76           1HD      PRO  76   4.601  -6.570 -11.642
  618    H    GLY  77           H        GLY  77  10.033  -5.280 -10.210
  619    HA2  GLY  77           2HA      GLY  77  11.632  -4.066 -11.572
  620    HA3  GLY  77           1HA      GLY  77  10.284  -3.323 -12.428
  621    H    THR  78           H        THR  78   9.450  -3.238  -9.220
  622    HA   THR  78           HA       THR  78  10.437  -0.436  -9.013
  623    HB   THR  78           HB       THR  78   8.002  -0.749  -8.799
  624    HG1  THR  78           1HG      THR  78   9.509   0.621  -7.292
  625   HG21  THR  78          3HG2      THR  78   8.761  -2.484  -6.436
  626   HG22  THR  78          1HG2      THR  78   7.947  -3.013  -7.907
  627   HG23  THR  78          2HG2      THR  78   7.125  -1.927  -6.786
  628    H    LYS  79           H        LYS  79  10.911   0.232  -6.638
  629    HA   LYS  79           HA       LYS  79  12.984  -1.600  -5.656
  630    HB2  LYS  79           2HB      LYS  79  12.092   1.104  -4.611
  631    HB3  LYS  79           1HB      LYS  79  13.556   0.244  -4.136
  632    HG2  LYS  79           2HG      LYS  79  14.315   0.298  -6.512
  633    HG3  LYS  79           1HG      LYS  79  12.896   1.265  -6.914
  634    HD2  LYS  79           2HD      LYS  79  14.998   2.050  -4.873
  635    HD3  LYS  79           1HD      LYS  79  14.918   2.669  -6.523
  636    HE2  LYS  79           2HE      LYS  79  13.637   4.312  -5.605
  637    HE3  LYS  79           1HE      LYS  79  12.354   3.105  -5.673
  638    HZ1  LYS  79           3HZ      LYS  79  13.619   2.464  -3.390
  639    HZ2  LYS  79           1HZ      LYS  79  12.238   3.444  -3.481
  640    HZ3  LYS  79           2HZ      LYS  79  13.778   4.155  -3.394
  641    H    MET  80           H        MET  80   9.791  -1.757  -5.216
  642    HA   MET  80           HA       MET  80   9.595  -1.789  -2.319
  643    HB2  MET  80           2HB      MET  80   7.793  -3.014  -4.431
  644    HB3  MET  80           1HB      MET  80   7.398  -2.882  -2.715
  645    HG2  MET  80           2HG      MET  80   8.175  -0.313  -3.339
  646    HG3  MET  80           1HG      MET  80   7.348  -0.822  -4.808
  647    HE1  MET  80           3HE      MET  80   5.109  -0.568  -5.198
  648    HE2  MET  80           1HE      MET  80   3.779  -0.973  -4.104
  649    HE3  MET  80           2HE      MET  80   4.924  -2.216  -4.603
  650    H    ALA  81           H        ALA  81  10.454  -3.313  -1.044
  651    HA   ALA  81           HA       ALA  81  10.936  -6.035  -2.178
  652    HB1  ALA  81           1HB      ALA  81  12.151  -5.398   0.422
  653    HB2  ALA  81           2HB      ALA  81  12.691  -4.342  -0.883
  654    HB3  ALA  81           3HB      ALA  81  12.891  -6.089  -1.023
  655    H    PHE  82           H        PHE  82   8.409  -4.914  -1.049
  656    HA   PHE  82           HA       PHE  82   8.022  -6.136   1.563
  657    HB2  PHE  82           2HB      PHE  82   6.736  -4.153   0.709
  658    HB3  PHE  82           1HB      PHE  82   5.948  -5.219  -0.452
  659    HD1  PHE  82           2HD      PHE  82   6.300  -4.365   3.121
  660    HD2  PHE  82           1HD      PHE  82   4.305  -6.857   0.250
  661    HE1  PHE  82           2HE      PHE  82   4.639  -5.020   4.843
  662    HE2  PHE  82           1HE      PHE  82   2.646  -7.515   1.971
  663    HZ   PHE  82           HZ       PHE  82   2.809  -6.589   4.264
  664    H    GLY  83           H        GLY  83   7.356  -8.213   1.979
  665    HA2  GLY  83           2HA      GLY  83   7.116 -10.063  -0.292
  666    HA3  GLY  83           1HA      GLY  83   7.139 -10.515   1.413
  667    H    GLY  84           H        GLY  84   5.264 -11.807   0.029
  668    HA2  GLY  84           2HA      GLY  84   2.744 -10.260   0.127
  669    HA3  GLY  84           1HA      GLY  84   2.926 -11.885  -0.532
  670    H    LEU  85           H        LEU  85   1.014 -10.810   1.521
  671    HA   LEU  85           HA       LEU  85   1.840 -12.375   3.915
  672    HB2  LEU  85           2HB      LEU  85  -0.572 -10.574   3.538
  673    HB3  LEU  85           1HB      LEU  85   0.002 -11.257   5.059
  674    HG   LEU  85           HG       LEU  85   1.484  -9.275   3.308
  675   HD11  LEU  85          1HD1      LEU  85   0.852  -7.648   4.795
  676   HD12  LEU  85          2HD1      LEU  85   0.843  -8.759   6.165
  677   HD13  LEU  85          3HD1      LEU  85  -0.517  -8.732   5.042
  678   HD21  LEU  85          3HD2      LEU  85   2.289 -10.947   5.667
  679   HD22  LEU  85          1HD2      LEU  85   2.966  -9.328   5.499
  680   HD23  LEU  85          2HD2      LEU  85   3.221 -10.525   4.230
  681    H    LYS  86           H        LYS  86   0.832 -14.298   4.413
  682    HA   LYS  86           HA       LYS  86  -1.119 -15.325   2.439
  683    HB2  LYS  86           2HB      LYS  86   0.274 -16.696   4.760
  684    HB3  LYS  86           1HB      LYS  86  -0.752 -17.498   3.569
  685    HG2  LYS  86           2HG      LYS  86   0.801 -16.626   1.777
  686    HG3  LYS  86           1HG      LYS  86   1.880 -16.086   3.063
  687    HD2  LYS  86           2HD      LYS  86   0.933 -18.943   2.691
  688    HD3  LYS  86           1HD      LYS  86   2.508 -18.331   2.182
  689    HE2  LYS  86           2HE      LYS  86   3.107 -19.104   4.264
  690    HE3  LYS  86           1HE      LYS  86   2.556 -17.496   4.733
  691    HZ1  LYS  86           3HZ      LYS  86   0.370 -19.287   4.574
  692    HZ2  LYS  86           1HZ      LYS  86   0.912 -18.379   5.898
  693    HZ3  LYS  86           2HZ      LYS  86   1.563 -19.919   5.605
  694    H    LYS  87           H        LYS  87  -1.266 -13.664   5.343
  695    HA   LYS  87           HA       LYS  87  -3.737 -15.064   6.220
  696    HB2  LYS  87           2HB      LYS  87  -2.058 -12.938   7.573
  697    HB3  LYS  87           1HB      LYS  87  -3.541 -13.613   8.247
  698    HG2  LYS  87           2HG      LYS  87  -2.499 -15.898   8.072
  699    HG3  LYS  87           1HG      LYS  87  -0.988 -15.112   7.607
  700    HD2  LYS  87           2HD      LYS  87  -1.072 -13.794   9.727
  701    HD3  LYS  87           1HD      LYS  87  -2.499 -14.716  10.200
  702    HE2  LYS  87           2HE      LYS  87  -0.456 -16.548   9.361
  703    HE3  LYS  87           1HE      LYS  87   0.228 -15.440  10.549
  704    HZ1  LYS  87           3HZ      LYS  87  -0.931 -17.507  11.416
  705    HZ2  LYS  87           1HZ      LYS  87  -2.386 -16.756  10.972
  706    HZ3  LYS  87           2HZ      LYS  87  -1.370 -16.025  12.123
  707    H    GLU  88           H        GLU  88  -5.683 -14.202   5.764
  708    HA   GLU  88           HA       GLU  88  -5.864 -11.699   4.280
  709    HB2  GLU  88           2HB      GLU  88  -8.002 -13.557   5.364
  710    HB3  GLU  88           1HB      GLU  88  -8.316 -12.175   4.315
  711    HG2  GLU  88           2HG      GLU  88  -6.821 -13.165   2.595
  712    HG3  GLU  88           1HG      GLU  88  -6.587 -14.571   3.634
  713    H    LYS  89           H        LYS  89  -6.691 -12.780   7.563
  714    HA   LYS  89           HA       LYS  89  -8.111 -10.457   8.382
  715    HB2  LYS  89           2HB      LYS  89  -6.359 -12.326  10.005
  716    HB3  LYS  89           1HB      LYS  89  -7.477 -11.147  10.692
  717    HG2  LYS  89           2HG      LYS  89  -9.340 -12.250   9.445
  718    HG3  LYS  89           1HG      LYS  89  -8.201 -13.480   8.896
  719    HD2  LYS  89           2HD      LYS  89  -7.692 -14.014  11.284
  720    HD3  LYS  89           1HD      LYS  89  -8.943 -12.870  11.771
  721    HE2  LYS  89           2HE      LYS  89 -10.320 -14.679  11.682
  722    HE3  LYS  89           1HE      LYS  89 -10.297 -14.391   9.942
  723    HZ1  LYS  89           3HZ      LYS  89  -9.148 -16.244   9.604
  724    HZ2  LYS  89           1HZ      LYS  89  -9.466 -16.661  11.217
  725    HZ3  LYS  89           2HZ      LYS  89  -8.018 -15.870  10.816
  726    H    ASP  90           H        ASP  90  -4.622 -11.211   8.711
  727    HA   ASP  90           HA       ASP  90  -3.937  -8.716   9.931
  728    HB2  ASP  90           2HB      ASP  90  -2.291 -10.647   8.272
  729    HB3  ASP  90           1HB      ASP  90  -1.617  -9.283   9.162
  730    H    ARG  91           H        ARG  91  -4.049  -9.769   6.546
  731    HA   ARG  91           HA       ARG  91  -2.888  -7.457   5.374
  732    HB2  ARG  91           2HB      ARG  91  -3.405  -9.613   4.192
  733    HB3  ARG  91           1HB      ARG  91  -5.111  -9.163   4.215
  734    HG2  ARG  91           2HG      ARG  91  -4.531  -7.065   2.990
  735    HG3  ARG  91           1HG      ARG  91  -2.864  -7.632   2.881
  736    HD2  ARG  91           2HD      ARG  91  -5.287  -9.076   1.768
  737    HD3  ARG  91           1HD      ARG  91  -4.107  -8.172   0.821
  738    HE   ARG  91           HE       ARG  91  -2.504  -9.964   2.092
  739   HH11  ARG  91          1HH2      ARG  91  -5.529 -10.239   0.459
  740   HH12  ARG  91          2HH2      ARG  91  -5.246 -11.863  -0.070
  741   HH21  ARG  91          1HH1      ARG  91  -2.118 -12.084   1.409
  742   HH22  ARG  91          2HH1      ARG  91  -3.315 -12.908   0.468
  743    H    ASN  92           H        ASN  92  -6.280  -8.143   6.246
  744    HA   ASN  92           HA       ASN  92  -7.406  -5.788   5.125
  745    HB2  ASN  92           2HB      ASN  92  -8.246  -7.426   7.532
  746    HB3  ASN  92           1HB      ASN  92  -9.230  -6.157   6.807
  747   HD21  ASN  92          1HD2      ASN  92 -10.209  -8.806   6.835
  748   HD22  ASN  92          2HD2      ASN  92 -10.214  -9.414   5.251
  749    H    ASP  93           H        ASP  93  -5.949  -6.366   8.327
  750    HA   ASP  93           HA       ASP  93  -6.641  -3.853   9.466
  751    HB2  ASP  93           2HB      ASP  93  -4.274  -5.677   9.964
  752    HB3  ASP  93           1HB      ASP  93  -4.676  -4.288  10.970
  753    H    LEU  94           H        LEU  94  -3.835  -4.850   7.516
  754    HA   LEU  94           HA       LEU  94  -2.363  -2.430   7.765
  755    HB2  LEU  94           2HB      LEU  94  -1.452  -4.531   6.797
  756    HB3  LEU  94           1HB      LEU  94  -2.483  -4.303   5.386
  757    HG   LEU  94           HG       LEU  94  -1.383  -2.136   4.930
  758   HD11  LEU  94          1HD1      LEU  94   0.899  -1.966   6.299
  759   HD12  LEU  94          2HD1      LEU  94  -0.048  -2.820   7.517
  760   HD13  LEU  94          3HD1      LEU  94  -0.593  -1.255   6.913
  761   HD21  LEU  94          3HD2      LEU  94   0.192  -3.223   3.727
  762   HD22  LEU  94          1HD2      LEU  94  -0.346  -4.692   4.541
  763   HD23  LEU  94          2HD2      LEU  94   1.020  -3.779   5.182
  764    H    ILE  95           H        ILE  95  -4.827  -3.392   5.371
  765    HA   ILE  95           HA       ILE  95  -4.649  -1.005   3.804
  766    HB   ILE  95           HB       ILE  95  -7.026  -2.821   4.233
  767   HG12  ILE  95          2HG1      ILE  95  -4.904  -2.844   2.066
  768   HG13  ILE  95          1HG1      ILE  95  -4.952  -3.964   3.429
  769   HG21  ILE  95          1HG2      ILE  95  -6.620  -0.397   2.684
  770   HG22  ILE  95          2HG2      ILE  95  -8.105  -1.307   2.958
  771   HG23  ILE  95          3HG2      ILE  95  -7.024  -1.760   1.641
  772   HD11  ILE  95          3HD1      ILE  95  -7.350  -4.513   2.660
  773   HD12  ILE  95          1HD1      ILE  95  -6.028  -5.134   1.672
  774   HD13  ILE  95          2HD1      ILE  95  -6.918  -3.703   1.155
  775    H    THR  96           H        THR  96  -6.718  -1.878   6.561
  776    HA   THR  96           HA       THR  96  -8.285   0.501   6.567
  777    HB   THR  96           HB       THR  96  -7.484  -1.133   8.988
  778    HG1  THR  96           1HG      THR  96  -8.695  -2.649   8.215
  779   HG21  THR  96          3HG2      THR  96  -9.168  -0.068  10.096
  780   HG22  THR  96          1HG2      THR  96 -10.194   0.007   8.665
  781   HG23  THR  96          2HG2      THR  96  -8.903   1.187   8.886
  782    H    TYR  97           H        TYR  97  -5.143  -0.229   8.067
  783    HA   TYR  97           HA       TYR  97  -4.939   2.077   9.695
  784    HB2  TYR  97           2HB      TYR  97  -3.332   0.199   9.777
  785    HB3  TYR  97           1HB      TYR  97  -2.705   0.675   8.199
  786    HD1  TYR  97           2HD      TYR  97  -3.109   1.762  11.729
  787    HD2  TYR  97           1HD      TYR  97  -1.197   2.517   7.958
  788    HE1  TYR  97           2HE      TYR  97  -1.611   3.411  12.820
  789    HE2  TYR  97           1HE      TYR  97   0.300   4.168   9.048
  790    HH   TYR  97           HH       TYR  97   0.990   4.331  12.030
  791    H    LEU  98           H        LEU  98  -3.932   1.661   6.273
  792    HA   LEU  98           HA       LEU  98  -2.998   4.362   6.006
  793    HB2  LEU  98           2HB      LEU  98  -3.957   2.339   3.975
  794    HB3  LEU  98           1HB      LEU  98  -3.352   3.929   3.515
  795    HG   LEU  98           HG       LEU  98  -1.803   1.925   5.184
  796   HD11  LEU  98          1HD1      LEU  98  -2.086   2.331   2.261
  797   HD12  LEU  98          2HD1      LEU  98  -1.593   0.893   3.155
  798   HD13  LEU  98          3HD1      LEU  98  -0.429   2.184   2.849
  799   HD21  LEU  98          3HD2      LEU  98  -0.639   3.813   5.686
  800   HD22  LEU  98          1HD2      LEU  98  -1.427   4.742   4.413
  801   HD23  LEU  98          2HD2      LEU  98  -0.046   3.718   4.028
  802    H    LYS  99           H        LYS  99  -6.169   2.869   5.492
  803    HA   LYS  99           HA       LYS  99  -7.442   5.118   4.310
  804    HB2  LYS  99           2HB      LYS  99  -8.545   2.930   6.092
  805    HB3  LYS  99           1HB      LYS  99  -9.546   4.093   5.226
  806    HG2  LYS  99           2HG      LYS  99  -8.572   3.342   3.084
  807    HG3  LYS  99           1HG      LYS  99  -7.580   2.171   3.952
  808    HD2  LYS  99           2HD      LYS  99  -9.572   1.056   3.079
  809    HD3  LYS  99           1HD      LYS  99  -9.655   1.115   4.840
  810    HE2  LYS  99           2HE      LYS  99 -10.828   3.447   3.444
  811    HE3  LYS  99           1HE      LYS  99 -11.682   1.923   3.212
  812    HZ1  LYS  99           3HZ      LYS  99 -11.543   1.666   5.699
  813    HZ2  LYS  99           1HZ      LYS  99 -12.583   2.884   5.138
  814    HZ3  LYS  99           2HZ      LYS  99 -11.055   3.293   5.760
  815    H    LYS 100           H        LYS 100  -6.816   4.273   7.691
  816    HA   LYS 100           HA       LYS 100  -8.424   6.263   8.924
  817    HB2  LYS 100           2HB      LYS 100  -7.258   4.410  10.129
  818    HB3  LYS 100           1HB      LYS 100  -5.725   5.239   9.850
  819    HG2  LYS 100           2HG      LYS 100  -6.624   7.229  11.055
  820    HG3  LYS 100           1HG      LYS 100  -8.090   6.314  11.413
  821    HD2  LYS 100           2HD      LYS 100  -6.652   4.574  12.514
  822    HD3  LYS 100           1HD      LYS 100  -5.270   5.645  12.292
  823    HE2  LYS 100           2HE      LYS 100  -5.864   6.423  14.353
  824    HE3  LYS 100           1HE      LYS 100  -7.046   7.361  13.439
  825    HZ1  LYS 100           3HZ      LYS 100  -7.856   5.936  15.393
  826    HZ2  LYS 100           1HZ      LYS 100  -7.665   4.620  14.339
  827    HZ3  LYS 100           2HZ      LYS 100  -8.733   5.880  13.937
  828    H    ALA 101           H        ALA 101  -5.083   6.396   7.729
  829    HA   ALA 101           HA       ALA 101  -4.537   9.072   8.577
  830    HB1  ALA 101           1HB      ALA 101  -3.054   7.124   7.402
  831    HB2  ALA 101           2HB      ALA 101  -2.556   8.815   7.462
  832    HB3  ALA 101           3HB      ALA 101  -3.338   8.175   6.015
  833    H    THR 102           H        THR 102  -6.110   7.765   5.692
  834    HA   THR 102           HA       THR 102  -6.218  10.283   4.276
  835    HB   THR 102           HB       THR 102  -7.795   9.155   2.800
  836    HG1  THR 102           1HG      THR 102  -8.614   7.133   3.392
  837   HG21  THR 102          3HG2      THR 102  -6.157   6.797   3.362
  838   HG22  THR 102          1HG2      THR 102  -5.218   8.291   3.347
  839   HG23  THR 102          2HG2      THR 102  -6.176   7.837   1.938
  840    H    GLU 103           H        GLU 103  -8.099   8.847   6.823
  841    HA   GLU 103           HA       GLU 103 -10.428  10.565   6.401
  842    HB2  GLU 103           2HB      GLU 103 -10.576   8.306   7.476
  843    HB3  GLU 103           1HB      GLU 103  -9.671   8.943   8.850
  844    HG2  GLU 103           2HG      GLU 103 -11.431  10.683   9.157
  845    HG3  GLU 103           1HG      GLU 103 -12.355   9.941   7.852
  846    HHA  HEC 201           HA       HEC 104   4.755   3.315  -5.663
  847    HHB  HEC 201           HB       HEC 104   1.117   0.466  -1.357
  848    HHC  HEC 201           HC       HEC 104   6.240  -0.700   2.176
  849    HHD  HEC 201           HD       HEC 104   9.863   2.147  -2.152
  850   HMA1  HEC 201          1HMA      HEC 104  -0.112   2.726  -4.176
  851   HMA2  HEC 201          2HMA      HEC 104  -0.012   2.314  -2.464
  852   HMA3  HEC 201          3HMA      HEC 104  -0.247   1.045  -3.664
  853   HAA1  HEC 201          1HAA      HEC 104   2.651   1.873  -6.605
  854   HAA2  HEC 201          2HAA      HEC 104   1.052   2.391  -6.098
  855   HBA1  HEC 201          1HBA      HEC 104   3.118   3.957  -7.283
  856   HBA2  HEC 201          2HBA      HEC 104   2.847   4.563  -5.649
  857   HMB1  HEC 201          1HMB      HEC 104   1.415  -2.240   1.248
  858   HMB2  HEC 201          2HMB      HEC 104   0.511  -0.727   1.284
  859   HMB3  HEC 201          3HMB      HEC 104   0.909  -1.486  -0.252
  860    HAB  HEC 201           HAB      HEC 104   4.500  -1.482   3.284
  861   HBB1  HEC 201          1HBB      HEC 104   1.492  -1.163   3.252
  862   HBB2  HEC 201          2HBB      HEC 104   2.441  -1.696   4.630
  863   HBB3  HEC 201          3HBB      HEC 104   2.385  -2.684   3.177
  864   HMC1  HEC 201          1HMC      HEC 104   8.503  -0.684   2.957
  865   HMC2  HEC 201          2HMC      HEC 104  10.061  -0.726   2.132
  866   HMC3  HEC 201          3HMC      HEC 104   8.780  -1.844   1.658
  867    HAC  HEC 201           HAC      HEC 104  10.891   2.157  -0.208
  868   HBC1  HEC 201          1HBC      HEC 104  12.498   0.590  -0.397
  869   HBC2  HEC 201          2HBC      HEC 104  12.117  -0.047   1.202
  870   HBC3  HEC 201          3HBC      HEC 104  11.248  -0.639  -0.214
  871   HMD1  HEC 201          1HMD      HEC 104  10.088   2.073  -5.088
  872   HMD2  HEC 201          2HMD      HEC 104  10.510   3.368  -3.967
  873   HMD3  HEC 201          3HMD      HEC 104   9.904   3.757  -5.577
  874   HAD1  HEC 201          1HAD      HEC 104   8.084   5.082  -5.938
  875   HAD2  HEC 201          2HAD      HEC 104   6.335   4.940  -5.945
  876   HBD1  HEC 201          1HBD      HEC 104   8.293   3.902  -7.847
  877   HBD2  HEC 201          2HBD      HEC 104   7.150   2.672  -7.313
  Start of MODEL   13
    1    H1   THR  -5           1HT      THR  -5 -20.574  -5.116   1.222
    2    H2   THR  -5           2HT      THR  -5 -20.854  -6.785   1.076
    3    H3   THR  -5           3HT      THR  -5 -19.502  -6.078   0.327
    4    HA   THR  -5           HA       THR  -5 -19.273  -5.389   2.979
    5    HB   THR  -5           HB       THR  -5 -20.902  -7.058   3.617
    6    HG1  THR  -5           1HG      THR  -5 -18.605  -8.553   4.003
    7   HG21  THR  -5          1HG2      THR  -5 -21.169  -8.500   1.812
    8   HG22  THR  -5          2HG2      THR  -5 -20.253  -9.515   2.926
    9   HG23  THR  -5          3HG2      THR  -5 -19.431  -8.708   1.591
   10    H    GLU  -4           H        GLU  -4 -17.790  -5.308   0.595
   11    HA   GLU  -4           HA       GLU  -4 -15.918  -7.439   0.287
   12    HB2  GLU  -4           2HB      GLU  -4 -15.606  -4.472  -0.265
   13    HB3  GLU  -4           1HB      GLU  -4 -14.488  -5.718  -0.822
   14    HG2  GLU  -4           2HG      GLU  -4 -16.356  -6.826  -2.031
   15    HG3  GLU  -4           1HG      GLU  -4 -17.433  -5.523  -1.523
   16    H    PHE  -3           H        PHE  -3 -16.009  -4.674   2.478
   17    HA   PHE  -3           HA       PHE  -3 -13.371  -5.493   3.596
   18    HB2  PHE  -3           2HB      PHE  -3 -13.718  -3.085   3.032
   19    HB3  PHE  -3           1HB      PHE  -3 -15.033  -3.031   4.205
   20    HD1  PHE  -3           1HD      PHE  -3 -14.584  -3.323   6.623
   21    HD2  PHE  -3           2HD      PHE  -3 -11.404  -3.178   3.737
   22    HE1  PHE  -3           1HE      PHE  -3 -12.944  -2.944   8.447
   23    HE2  PHE  -3           2HE      PHE  -3  -9.767  -2.797   5.562
   24    HZ   PHE  -3           HZ       PHE  -3 -10.540  -2.683   7.915
   25    H    LYS  -2           H        LYS  -2 -13.283  -6.524   5.547
   26    HA   LYS  -2           HA       LYS  -2 -15.845  -6.837   7.041
   27    HB2  LYS  -2           2HB      LYS  -2 -14.816  -8.813   8.043
   28    HB3  LYS  -2           1HB      LYS  -2 -14.683  -8.913   6.287
   29    HG2  LYS  -2           2HG      LYS  -2 -12.378  -7.944   6.461
   30    HG3  LYS  -2           1HG      LYS  -2 -12.517  -8.037   8.217
   31    HD2  LYS  -2           2HD      LYS  -2 -12.764 -10.388   6.322
   32    HD3  LYS  -2           1HD      LYS  -2 -11.343 -10.012   7.297
   33    HE2  LYS  -2           2HE      LYS  -2 -13.228  -9.969   9.226
   34    HE3  LYS  -2           1HE      LYS  -2 -13.964 -11.136   8.128
   35    HZ1  LYS  -2           3HZ      LYS  -2 -11.118 -11.373   8.850
   36    HZ2  LYS  -2           1HZ      LYS  -2 -12.193 -12.577   8.328
   37    HZ3  LYS  -2           2HZ      LYS  -2 -12.313 -11.957   9.906
   38    H    ALA  -1           H        ALA  -1 -15.652  -6.807   9.446
   39    HA   ALA  -1           HA       ALA  -1 -14.427  -4.444  10.405
   40    HB1  ALA  -1           1HB      ALA  -1 -16.104  -6.404  11.462
   41    HB2  ALA  -1           2HB      ALA  -1 -15.521  -4.972  12.309
   42    HB3  ALA  -1           3HB      ALA  -1 -14.656  -6.500  12.464
   43    H    GLY   1           H        GLY   1 -12.329  -3.991  10.860
   44    HA2  GLY   1           2HA      GLY   1 -10.525  -6.231  11.627
   45    HA3  GLY   1           1HA      GLY   1 -10.044  -5.161  10.312
   46    H    SER   2           H        SER   2  -8.464  -5.367  12.615
   47    HA   SER   2           HA       SER   2  -9.030  -2.802  14.052
   48    HB2  SER   2           2HB      SER   2  -8.862  -4.848  15.477
   49    HB3  SER   2           1HB      SER   2  -7.220  -5.089  14.888
   50    HG   SER   2           HG       SER   2  -7.467  -3.899  16.924
   51    H    ALA   3           H        ALA   3  -7.622  -1.140  13.733
   52    HA   ALA   3           HA       ALA   3  -5.489  -1.422  11.784
   53    HB1  ALA   3           1HB      ALA   3  -6.043   0.917  13.630
   54    HB2  ALA   3           2HB      ALA   3  -6.870   0.656  12.094
   55    HB3  ALA   3           3HB      ALA   3  -5.132   0.950  12.119
   56    H    LYS   4           H        LYS   4  -5.674  -1.759  15.213
   57    HA   LYS   4           HA       LYS   4  -3.083  -0.944  15.997
   58    HB2  LYS   4           2HB      LYS   4  -4.911  -1.654  17.554
   59    HB3  LYS   4           1HB      LYS   4  -4.634  -3.324  17.063
   60    HG2  LYS   4           2HG      LYS   4  -3.356  -3.129  19.028
   61    HG3  LYS   4           1HG      LYS   4  -2.163  -2.884  17.755
   62    HD2  LYS   4           2HD      LYS   4  -2.244  -0.487  18.039
   63    HD3  LYS   4           1HD      LYS   4  -3.620  -0.614  19.135
   64    HE2  LYS   4           2HE      LYS   4  -2.270  -0.990  20.897
   65    HE3  LYS   4           1HE      LYS   4  -1.413  -2.271  20.039
   66    HZ1  LYS   4           3HZ      LYS   4   0.273  -0.809  20.154
   67    HZ2  LYS   4           1HZ      LYS   4  -0.743   0.538  20.326
   68    HZ3  LYS   4           2HZ      LYS   4  -0.471  -0.128  18.786
   69    H    LYS   5           H        LYS   5  -4.155  -4.170  14.851
   70    HA   LYS   5           HA       LYS   5  -1.522  -5.325  14.969
   71    HB2  LYS   5           2HB      LYS   5  -3.939  -6.086  13.302
   72    HB3  LYS   5           1HB      LYS   5  -2.491  -7.078  13.479
   73    HG2  LYS   5           2HG      LYS   5  -2.852  -7.093  15.950
   74    HG3  LYS   5           1HG      LYS   5  -4.359  -6.210  15.704
   75    HD2  LYS   5           2HD      LYS   5  -5.155  -8.066  14.230
   76    HD3  LYS   5           1HD      LYS   5  -3.687  -8.963  14.625
   77    HE2  LYS   5           2HE      LYS   5  -5.434  -9.735  16.105
   78    HE3  LYS   5           1HE      LYS   5  -4.315  -8.763  17.060
   79    HZ1  LYS   5           3HZ      LYS   5  -6.994  -8.028  16.055
   80    HZ2  LYS   5           1HZ      LYS   5  -5.871  -6.842  16.517
   81    HZ3  LYS   5           2HZ      LYS   5  -6.411  -7.987  17.650
   82    H    GLY   6           H        GLY   6  -3.414  -4.068  12.209
   83    HA2  GLY   6           2HA      GLY   6  -1.303  -4.362  10.294
   84    HA3  GLY   6           1HA      GLY   6  -2.711  -3.316  10.105
   85    H    ALA   7           H        ALA   7  -2.097  -1.806  12.582
   86    HA   ALA   7           HA       ALA   7  -0.586   0.305  11.453
   87    HB1  ALA   7           1HB      ALA   7  -2.027   0.770  13.320
   88    HB2  ALA   7           2HB      ALA   7  -0.380   1.106  13.851
   89    HB3  ALA   7           3HB      ALA   7  -1.176  -0.390  14.339
   90    H    THR   8           H        THR   8   0.449  -2.244  13.729
   91    HA   THR   8           HA       THR   8   3.183  -1.291  13.809
   92    HB   THR   8           HB       THR   8   3.642  -3.371  14.996
   93    HG1  THR   8           1HG      THR   8   1.077  -4.097  14.047
   94   HG21  THR   8          3HG2      THR   8   2.163  -1.454  15.988
   95   HG22  THR   8          1HG2      THR   8   2.290  -2.982  16.861
   96   HG23  THR   8          2HG2      THR   8   0.866  -2.644  15.877
   97    H    LEU   9           H        LEU   9   1.442  -3.739  11.900
   98    HA   LEU   9           HA       LEU   9   3.712  -4.928  10.657
   99    HB2  LEU   9           2HB      LEU   9   1.332  -5.748  10.456
  100    HB3  LEU   9           1HB      LEU   9   1.021  -4.405   9.356
  101    HG   LEU   9           HG       LEU   9   3.178  -5.356   8.129
  102   HD11  LEU   9          1HD1      LEU   9   3.382  -7.099  10.019
  103   HD12  LEU   9          2HD1      LEU   9   3.509  -7.690   8.362
  104   HD13  LEU   9          3HD1      LEU   9   2.005  -7.895   9.260
  105   HD21  LEU   9          3HD2      LEU   9   1.699  -6.627   6.665
  106   HD22  LEU   9          1HD2      LEU   9   0.864  -5.171   7.204
  107   HD23  LEU   9          2HD2      LEU   9   0.481  -6.729   7.935
  108    H    PHE  10           H        PHE  10   1.809  -2.059   9.851
  109    HA   PHE  10           HA       PHE  10   3.168  -1.380   7.426
  110    HB2  PHE  10           2HB      PHE  10   1.001  -0.381   8.255
  111    HB3  PHE  10           1HB      PHE  10   1.931   0.511   9.455
  112    HD1  PHE  10           1HD      PHE  10   1.409   0.028   5.806
  113    HD2  PHE  10           2HD      PHE  10   3.168   2.464   8.874
  114    HE1  PHE  10           1HE      PHE  10   1.902   1.785   4.128
  115    HE2  PHE  10           2HE      PHE  10   3.654   4.219   7.194
  116    HZ   PHE  10           HZ       PHE  10   3.033   3.878   4.827
  117    H    LYS  11           H        LYS  11   3.658  -0.404  10.802
  118    HA   LYS  11           HA       LYS  11   5.922   1.283  10.367
  119    HB2  LYS  11           2HB      LYS  11   4.494   1.097  12.477
  120    HB3  LYS  11           1HB      LYS  11   5.385  -0.379  12.838
  121    HG2  LYS  11           2HG      LYS  11   7.514   0.889  12.740
  122    HG3  LYS  11           1HG      LYS  11   6.603   2.370  12.447
  123    HD2  LYS  11           2HD      LYS  11   5.385   1.980  14.606
  124    HD3  LYS  11           1HD      LYS  11   6.458   0.614  14.913
  125    HE2  LYS  11           2HE      LYS  11   8.407   2.207  14.653
  126    HE3  LYS  11           1HE      LYS  11   7.236   3.527  14.624
  127    HZ1  LYS  11           3HZ      LYS  11   6.706   1.781  16.787
  128    HZ2  LYS  11           1HZ      LYS  11   7.063   3.440  16.817
  129    HZ3  LYS  11           2HZ      LYS  11   8.323   2.301  16.849
  130    H    THR  12           H        THR  12   5.628  -2.186  11.002
  131    HA   THR  12           HA       THR  12   8.437  -2.664  11.349
  132    HB   THR  12           HB       THR  12   7.864  -5.020  11.153
  133    HG1  THR  12           1HG      THR  12   5.692  -5.534  10.545
  134   HG21  THR  12          3HG2      THR  12   5.470  -4.585  12.539
  135   HG22  THR  12          1HG2      THR  12   6.422  -3.127  12.819
  136   HG23  THR  12          2HG2      THR  12   7.084  -4.706  13.241
  137    H    ARG  13           H        ARG  13   6.371  -2.701   8.435
  138    HA   ARG  13           HA       ARG  13   8.863  -2.747   6.843
  139    HB2  ARG  13           2HB      ARG  13   6.681  -4.829   6.583
  140    HB3  ARG  13           1HB      ARG  13   7.953  -4.583   5.388
  141    HG2  ARG  13           2HG      ARG  13   9.647  -4.972   7.202
  142    HG3  ARG  13           1HG      ARG  13   8.320  -5.381   8.288
  143    HD2  ARG  13           2HD      ARG  13   9.165  -7.449   7.388
  144    HD3  ARG  13           1HD      ARG  13   7.608  -7.137   6.618
  145    HE   ARG  13           HE       ARG  13   9.320  -6.009   4.830
  146   HH11  ARG  13          1HH2      ARG  13   9.325  -8.998   6.549
  147   HH12  ARG  13          2HH2      ARG  13  10.170  -9.864   5.310
  148   HH21  ARG  13          1HH1      ARG  13  10.424  -7.123   3.201
  149   HH22  ARG  13          2HH1      ARG  13  10.792  -8.802   3.414
  150    H    CYS  14           H        CYS  14   7.463  -0.484   6.888
  151    HA   CYS  14           HA       CYS  14   6.601  -0.171   4.170
  152    HB2  CYS  14           2HB      CYS  14   4.613  -1.361   5.392
  153    HB3  CYS  14           1HB      CYS  14   4.321   0.237   6.074
  154    H    LEU  15           H        LEU  15   6.094   1.171   7.442
  155    HA   LEU  15           HA       LEU  15   5.832   3.881   6.675
  156    HB2  LEU  15           2HB      LEU  15   5.420   3.035   8.977
  157    HB3  LEU  15           1HB      LEU  15   7.153   2.796   9.179
  158    HG   LEU  15           HG       LEU  15   7.390   5.303   8.604
  159   HD11  LEU  15          1HD1      LEU  15   5.210   5.791   7.726
  160   HD12  LEU  15          2HD1      LEU  15   5.311   6.598   9.289
  161   HD13  LEU  15          3HD1      LEU  15   4.418   5.087   9.137
  162   HD21  LEU  15          3HD2      LEU  15   7.037   5.923  10.914
  163   HD22  LEU  15          1HD2      LEU  15   7.617   4.257  10.880
  164   HD23  LEU  15          2HD2      LEU  15   5.905   4.590  11.143
  165    H    GLN  16           H        GLN  16   8.738   1.929   7.202
  166    HA   GLN  16           HA       GLN  16  10.658   4.009   7.132
  167    HB2  GLN  16           2HB      GLN  16  10.846   1.178   6.058
  168    HB3  GLN  16           1HB      GLN  16  12.225   2.252   6.296
  169    HG2  GLN  16           2HG      GLN  16  11.713   2.406   8.694
  170    HG3  GLN  16           1HG      GLN  16  10.306   1.367   8.471
  171   HE21  GLN  16          1HE2      GLN  16  12.421   0.587  10.224
  172   HE22  GLN  16          2HE2      GLN  16  13.215  -0.755   9.552
  173    H    CYS  17           H        CYS  17   8.929   2.386   4.509
  174    HA   CYS  17           HA       CYS  17  10.461   3.952   2.512
  175    HB2  CYS  17           2HB      CYS  17   8.390   1.767   2.225
  176    HB3  CYS  17           1HB      CYS  17   9.136   2.604   0.864
  177    H    HIS  18           H        HIS  18   7.079   3.483   3.570
  178    HA   HIS  18           HA       HIS  18   6.339   5.889   1.964
  179    HB2  HIS  18           2HB      HIS  18   4.712   3.615   3.129
  180    HB3  HIS  18           1HB      HIS  18   3.973   5.065   2.444
  181    HD1  HIS  18           1HD      HIS  18   4.721   5.563  -0.165
  182    HD2  HIS  18           2HD      HIS  18   5.362   1.710   1.275
  183    HE1  HIS  18           1HE      HIS  18   4.999   4.073  -2.204
  184    H    THR  19           H        THR  19   6.010   7.767   3.037
  185    HA   THR  19           HA       THR  19   5.967   7.777   5.976
  186    HB   THR  19           HB       THR  19   6.089  10.201   5.764
  187    HG1  THR  19           1HG      THR  19   5.189   9.585   3.212
  188   HG21  THR  19          3HG2      THR  19   8.195   9.058   5.451
  189   HG22  THR  19          1HG2      THR  19   8.116  10.374   4.279
  190   HG23  THR  19          2HG2      THR  19   7.811   8.715   3.765
  191    H    VAL  20           H        VAL  20   3.706   8.119   3.328
  192    HA   VAL  20           HA       VAL  20   1.362   8.259   3.345
  193    HB   VAL  20           HB       VAL  20   1.341   7.905   6.324
  194   HG11  VAL  20          1HG1      VAL  20  -0.680   6.767   5.905
  195   HG12  VAL  20          2HG1      VAL  20  -0.255   6.442   4.225
  196   HG13  VAL  20          3HG1      VAL  20  -0.700   8.074   4.722
  197   HG21  VAL  20          3HG2      VAL  20   2.454   6.028   4.283
  198   HG22  VAL  20          1HG2      VAL  20   1.443   5.345   5.556
  199   HG23  VAL  20          2HG2      VAL  20   2.905   6.241   5.974
  200    H    GLU  21           H        GLU  21   3.367  10.346   5.097
  201    HA   GLU  21           HA       GLU  21   1.139  12.095   5.963
  202    HB2  GLU  21           2HB      GLU  21   4.147  12.410   6.222
  203    HB3  GLU  21           1HB      GLU  21   2.951  13.511   6.907
  204    HG2  GLU  21           2HG      GLU  21   3.157  10.555   7.553
  205    HG3  GLU  21           1HG      GLU  21   3.755  11.859   8.580
  206    H    LYS  22           H        LYS  22   0.339  13.583   4.576
  207    HA   LYS  22           HA       LYS  22   1.587  14.133   2.029
  208    HB2  LYS  22           2HB      LYS  22  -0.245  15.669   1.669
  209    HB3  LYS  22           1HB      LYS  22  -0.890  14.247   2.487
  210    HG2  LYS  22           2HG      LYS  22  -0.648  15.463   4.669
  211    HG3  LYS  22           1HG      LYS  22  -0.183  16.904   3.764
  212    HD2  LYS  22           2HD      LYS  22  -2.366  16.643   2.473
  213    HD3  LYS  22           1HD      LYS  22  -2.830  15.446   3.684
  214    HE2  LYS  22           2HE      LYS  22  -2.519  17.122   5.467
  215    HE3  LYS  22           1HE      LYS  22  -2.055  18.322   4.260
  216    HZ1  LYS  22           3HZ      LYS  22  -4.689  17.061   4.691
  217    HZ2  LYS  22           1HZ      LYS  22  -4.292  17.757   3.196
  218    HZ3  LYS  22           2HZ      LYS  22  -4.300  18.712   4.600
  219    H    GLY  23           H        GLY  23   1.370  15.904   5.102
  220    HA2  GLY  23           2HA      GLY  23   2.558  18.335   4.231
  221    HA3  GLY  23           1HA      GLY  23   2.617  17.730   5.887
  222    H    GLY  24           H        GLY  24   4.000  15.279   5.273
  223    HA2  GLY  24           2HA      GLY  24   6.718  16.307   5.241
  224    HA3  GLY  24           1HA      GLY  24   6.260  14.605   5.336
  225    HA   PRO  25           HA       PRO  25   7.556  15.924   0.918
  226    HB2  PRO  25           2HB      PRO  25  10.194  15.246   0.924
  227    HB3  PRO  25           1HB      PRO  25   9.620  16.859   1.391
  228    HG2  PRO  25           2HG      PRO  25  10.430  14.567   3.116
  229    HG3  PRO  25           1HG      PRO  25  10.779  16.293   3.296
  230    HD2  PRO  25           2HD      PRO  25   8.813  15.027   4.714
  231    HD3  PRO  25           1HD      PRO  25   8.732  16.748   4.276
  232    H    HIS  26           H        HIS  26   9.455  14.151  -0.282
  233    HA   HIS  26           HA       HIS  26   8.003  11.565   0.051
  234    HB2  HIS  26           2HB      HIS  26   9.624  12.681  -2.255
  235    HB3  HIS  26           1HB      HIS  26   8.966  11.044  -2.216
  236    HD1  HIS  26           1HD      HIS  26   6.309  10.848  -2.094
  237    HD2  HIS  26           2HD      HIS  26   7.767  14.663  -2.938
  238    HE1  HIS  26           1HE      HIS  26   4.352  12.182  -2.992
  239    HE2  HIS  26           2HE      HIS  26   5.226  14.507  -3.506
  240    H    LYS  27           H        LYS  27   9.119   9.775   0.718
  241    HA   LYS  27           HA       LYS  27  12.103   9.956   0.832
  242    HB2  LYS  27           2HB      LYS  27  11.073  10.358   3.082
  243    HB3  LYS  27           1HB      LYS  27  10.320   8.766   2.979
  244    HG2  LYS  27           2HG      LYS  27  12.570   7.741   2.736
  245    HG3  LYS  27           1HG      LYS  27  13.298   9.338   2.920
  246    HD2  LYS  27           2HD      LYS  27  12.154   9.538   5.145
  247    HD3  LYS  27           1HD      LYS  27  11.617   7.867   4.967
  248    HE2  LYS  27           2HE      LYS  27  14.257   7.558   4.453
  249    HE3  LYS  27           1HE      LYS  27  14.322   8.928   5.561
  250    HZ1  LYS  27           3HZ      LYS  27  12.580   6.704   6.287
  251    HZ2  LYS  27           1HZ      LYS  27  13.529   7.705   7.274
  252    HZ3  LYS  27           2HZ      LYS  27  14.255   6.440   6.402
  253    H    VAL  28           H        VAL  28  13.037   8.225  -0.153
  254    HA   VAL  28           HA       VAL  28  13.211   6.151  -1.240
  255    HB   VAL  28           HB       VAL  28  11.479   5.460   1.143
  256   HG11  VAL  28          1HG1      VAL  28  10.969   3.698  -0.312
  257   HG12  VAL  28          2HG1      VAL  28  12.391   3.079   0.530
  258   HG13  VAL  28          3HG1      VAL  28  12.550   3.755  -1.092
  259   HG21  VAL  28          3HG2      VAL  28  14.351   4.702   0.597
  260   HG22  VAL  28          1HG2      VAL  28  13.501   4.731   2.142
  261   HG23  VAL  28          2HG2      VAL  28  13.935   6.244   1.346
  262    H    GLY  29           H        GLY  29   9.929   5.548  -0.062
  263    HA2  GLY  29           2HA      GLY  29   9.051   5.367  -2.901
  264    HA3  GLY  29           1HA      GLY  29   8.226   4.622  -1.530
  265    HA   PRO  30           HA       PRO  30   6.506   8.947  -2.778
  266    HB2  PRO  30           2HB      PRO  30   4.107   7.981  -3.786
  267    HB3  PRO  30           1HB      PRO  30   5.516   8.422  -4.770
  268    HG2  PRO  30           2HG      PRO  30   4.592   5.742  -3.882
  269    HG3  PRO  30           1HG      PRO  30   5.333   6.236  -5.414
  270    HD2  PRO  30           2HD      PRO  30   6.735   4.931  -3.485
  271    HD3  PRO  30           1HD      PRO  30   7.492   6.125  -4.565
  272    H    ASN  31           H        ASN  31   4.814   9.990  -1.565
  273    HA   ASN  31           HA       ASN  31   4.040   8.551   0.866
  274    HB2  ASN  31           2HB      ASN  31   3.213  11.327  -0.023
  275    HB3  ASN  31           1HB      ASN  31   3.169  10.680   1.616
  276   HD21  ASN  31          1HD2      ASN  31   5.731   9.390   1.675
  277   HD22  ASN  31          2HD2      ASN  31   6.930  10.584   1.576
  278    H    LEU  32           H        LEU  32   1.949   7.838   1.366
  279    HA   LEU  32           HA       LEU  32   0.038   7.815  -0.912
  280    HB2  LEU  32           2HB      LEU  32   0.111   6.216   1.665
  281    HB3  LEU  32           1HB      LEU  32  -1.155   6.082   0.449
  282    HG   LEU  32           HG       LEU  32   0.678   5.579  -1.244
  283   HD11  LEU  32          1HD1      LEU  32   2.286   6.003   1.162
  284   HD12  LEU  32          2HD1      LEU  32   2.792   5.919  -0.524
  285   HD13  LEU  32          3HD1      LEU  32   2.603   4.440   0.416
  286   HD21  LEU  32          3HD2      LEU  32   1.086   3.260   0.230
  287   HD22  LEU  32          1HD2      LEU  32  -0.277   3.569  -0.845
  288   HD23  LEU  32          2HD2      LEU  32  -0.423   3.897   0.882
  289    H    HIS  33           H        HIS  33  -1.974   8.773  -0.773
  290    HA   HIS  33           HA       HIS  33  -3.208   9.579   1.697
  291    HB2  HIS  33           2HB      HIS  33  -1.362  11.260   1.612
  292    HB3  HIS  33           1HB      HIS  33  -1.974  11.811   0.052
  293    HD1  HIS  33           1HD      HIS  33  -3.412  11.237   3.552
  294    HD2  HIS  33           2HD      HIS  33  -3.759  13.890   0.351
  295    HE1  HIS  33           1HE      HIS  33  -5.065  13.020   4.273
  296    HE2  HIS  33           2HE      HIS  33  -5.283  14.638   2.332
  297    H    GLY  34           H        GLY  34  -5.079   8.717   0.758
  298    HA2  GLY  34           2HA      GLY  34  -7.161   9.139  -0.335
  299    HA3  GLY  34           1HA      GLY  34  -6.394  10.448  -1.236
  300    H    ILE  35           H        ILE  35  -4.410   7.754  -1.279
  301    HA   ILE  35           HA       ILE  35  -4.603   7.355  -4.080
  302    HB   ILE  35           HB       ILE  35  -2.718   6.634  -2.503
  303   HG12  ILE  35          2HG1      ILE  35  -3.682   4.462  -4.381
  304   HG13  ILE  35          1HG1      ILE  35  -3.004   5.984  -4.960
  305   HG21  ILE  35          1HG2      ILE  35  -4.348   5.386  -0.989
  306   HG22  ILE  35          2HG2      ILE  35  -2.887   4.501  -1.429
  307   HG23  ILE  35          3HG2      ILE  35  -4.413   4.141  -2.236
  308   HD11  ILE  35          3HD1      ILE  35  -1.620   3.977  -3.159
  309   HD12  ILE  35          1HD1      ILE  35  -0.947   5.538  -3.627
  310   HD13  ILE  35          2HD1      ILE  35  -1.237   4.301  -4.850
  311    H    PHE  36           H        PHE  36  -6.522   6.086  -1.467
  312    HA   PHE  36           HA       PHE  36  -7.567   3.794  -2.875
  313    HB2  PHE  36           2HB      PHE  36  -8.653   5.415  -0.555
  314    HB3  PHE  36           1HB      PHE  36  -9.364   3.908  -1.124
  315    HD1  PHE  36           1HD      PHE  36  -6.471   5.445   0.559
  316    HD2  PHE  36           2HD      PHE  36  -8.220   1.771  -0.824
  317    HE1  PHE  36           1HE      PHE  36  -4.838   4.155   1.909
  318    HE2  PHE  36           2HE      PHE  36  -6.585   0.485   0.525
  319    HZ   PHE  36           HZ       PHE  36  -4.894   1.677   1.890
  320    H    GLY  37           H        GLY  37  -9.179   3.722  -4.382
  321    HA2  GLY  37           2HA      GLY  37 -11.025   4.418  -5.674
  322    HA3  GLY  37           1HA      GLY  37 -11.245   5.761  -4.552
  323    H    ARG  38           H        ARG  38  -8.086   5.361  -5.909
  324    HA   ARG  38           HA       ARG  38  -8.669   7.366  -8.018
  325    HB2  ARG  38           2HB      ARG  38  -6.548   7.686  -5.876
  326    HB3  ARG  38           1HB      ARG  38  -6.701   8.717  -7.300
  327    HG2  ARG  38           2HG      ARG  38  -9.068   9.218  -6.578
  328    HG3  ARG  38           1HG      ARG  38  -8.726   8.363  -5.075
  329    HD2  ARG  38           2HD      ARG  38  -8.325  10.677  -4.622
  330    HD3  ARG  38           1HD      ARG  38  -6.736   9.931  -4.787
  331    HE   ARG  38           HE       ARG  38  -7.153  10.787  -7.322
  332   HH11  ARG  38          1HH2      ARG  38  -7.677  12.263  -4.247
  333   HH12  ARG  38          2HH2      ARG  38  -7.418  13.873  -4.830
  334   HH21  ARG  38          1HH1      ARG  38  -6.812  12.882  -8.096
  335   HH22  ARG  38          2HH1      ARG  38  -6.928  14.223  -7.007
  336    H    HIS  39           H        HIS  39  -6.701   7.657  -9.470
  337    HA   HIS  39           HA       HIS  39  -5.534   4.986  -9.970
  338    HB2  HIS  39           2HB      HIS  39  -5.576   7.525 -11.626
  339    HB3  HIS  39           1HB      HIS  39  -4.814   6.019 -12.138
  340    HD1  HIS  39           1HD      HIS  39  -8.173   7.586 -11.527
  341    HD2  HIS  39           2HD      HIS  39  -6.633   3.942 -12.850
  342    HE1  HIS  39           1HE      HIS  39 -10.127   6.287 -12.485
  343    HE2  HIS  39           2HE      HIS  39  -9.201   4.068 -13.293
  344    H    SER  40           H        SER  40  -3.225   4.770 -10.401
  345    HA   SER  40           HA       SER  40  -1.585   6.105  -8.460
  346    HB2  SER  40           2HB      SER  40   0.190   4.782  -9.285
  347    HB3  SER  40           1HB      SER  40  -1.239   3.797  -9.581
  348    HG   SER  40           HG       SER  40  -0.600   3.836 -11.579
  349    H    GLY  41           H        GLY  41   0.458   7.313  -9.102
  350    HA2  GLY  41           2HA      GLY  41   1.608   8.810 -10.620
  351    HA3  GLY  41           1HA      GLY  41   0.128   8.926 -11.571
  352    H    GLN  42           H        GLN  42  -1.066   9.118  -8.603
  353    HA   GLN  42           HA       GLN  42  -1.601  11.916  -8.700
  354    HB2  GLN  42           2HB      GLN  42  -2.941  10.178  -7.447
  355    HB3  GLN  42           1HB      GLN  42  -1.667  10.167  -6.227
  356    HG2  GLN  42           2HG      GLN  42  -1.981  12.638  -5.954
  357    HG3  GLN  42           1HG      GLN  42  -3.356  12.543  -7.057
  358   HE21  GLN  42          1HE2      GLN  42  -5.344  11.708  -6.239
  359   HE22  GLN  42          2HE2      GLN  42  -5.551  11.223  -4.626
  360    H    ALA  43           H        ALA  43   0.871  10.055  -6.952
  361    HA   ALA  43           HA       ALA  43   1.853  12.311  -5.439
  362    HB1  ALA  43           1HB      ALA  43   2.260   9.737  -5.109
  363    HB2  ALA  43           2HB      ALA  43   3.527  10.883  -4.681
  364    HB3  ALA  43           3HB      ALA  43   3.614  10.006  -6.207
  365    H    GLU  44           H        GLU  44   1.841  13.819  -7.327
  366    HA   GLU  44           HA       GLU  44   3.664  13.549  -9.513
  367    HB2  GLU  44           2HB      GLU  44   2.539  16.033  -8.182
  368    HB3  GLU  44           1HB      GLU  44   3.405  16.029  -9.717
  369    HG2  GLU  44           2HG      GLU  44   0.867  14.469  -9.155
  370    HG3  GLU  44           1HG      GLU  44   0.942  15.991 -10.044
  371    H    GLY  45           H        GLY  45   4.047  14.707  -6.214
  372    HA2  GLY  45           2HA      GLY  45   6.503  16.078  -6.442
  373    HA3  GLY  45           1HA      GLY  45   5.990  15.205  -4.997
  374    H    TYR  46           H        TYR  46   5.860  12.593  -6.279
  375    HA   TYR  46           HA       TYR  46   8.796  12.122  -6.629
  376    HB2  TYR  46           2HB      TYR  46   7.665  11.090  -4.607
  377    HB3  TYR  46           1HB      TYR  46   6.718  10.111  -5.728
  378    HD1  TYR  46           1HD      TYR  46  10.160  10.879  -4.568
  379    HD2  TYR  46           2HD      TYR  46   7.682   8.225  -6.866
  380    HE1  TYR  46           1HE      TYR  46  12.046   9.283  -4.759
  381    HE2  TYR  46           2HE      TYR  46   9.576   6.626  -7.057
  382    HH   TYR  46           HH       TYR  46  12.706   7.295  -5.484
  383    H    SER  47           H        SER  47   9.448  11.221  -8.534
  384    HA   SER  47           HA       SER  47   7.594  10.925 -10.712
  385    HB2  SER  47           2HB      SER  47  10.442   9.916 -10.468
  386    HB3  SER  47           1HB      SER  47   9.532  10.071 -11.966
  387    HG   SER  47           HG       SER  47  10.970  11.909 -10.734
  388    H    TYR  48           H        TYR  48   7.113   8.938 -11.877
  389    HA   TYR  48           HA       TYR  48   7.042   6.551 -10.075
  390    HB2  TYR  48           2HB      TYR  48   5.174   7.522 -12.239
  391    HB3  TYR  48           1HB      TYR  48   5.157   5.845 -11.696
  392    HD1  TYR  48           2HD      TYR  48   4.588   9.359 -10.680
  393    HD2  TYR  48           1HD      TYR  48   4.354   5.234  -9.505
  394    HE1  TYR  48           2HE      TYR  48   3.210   9.994  -8.719
  395    HE2  TYR  48           1HE      TYR  48   2.976   5.868  -7.545
  396    HH   TYR  48           HH       TYR  48   1.720   7.556  -6.655
  397    H    THR  49           H        THR  49   7.701   4.548 -10.922
  398    HA   THR  49           HA       THR  49   9.606   4.680 -13.118
  399    HB   THR  49           HB       THR  49  10.069   2.380 -12.619
  400    HG1  THR  49           1HG      THR  49   7.621   2.051 -12.438
  401   HG21  THR  49          3HG2      THR  49  10.351   4.307 -10.778
  402   HG22  THR  49          1HG2      THR  49  10.803   2.634 -10.455
  403   HG23  THR  49          2HG2      THR  49   9.251   3.254  -9.890
  404    H    ASP  50           H        ASP  50   9.446   3.226 -15.028
  405    HA   ASP  50           HA       ASP  50   7.071   3.620 -16.505
  406    HB2  ASP  50           2HB      ASP  50   9.251   1.555 -16.832
  407    HB3  ASP  50           1HB      ASP  50   7.985   1.836 -18.025
  408    H    ALA  51           H        ALA  51   8.046   0.935 -14.430
  409    HA   ALA  51           HA       ALA  51   6.220  -1.041 -15.135
  410    HB1  ALA  51           1HB      ALA  51   6.443  -0.528 -12.222
  411    HB2  ALA  51           2HB      ALA  51   7.963  -0.740 -13.087
  412    HB3  ALA  51           3HB      ALA  51   6.739  -2.010 -13.131
  413    H    ASN  52           H        ASN  52   5.498   1.091 -12.346
  414    HA   ASN  52           HA       ASN  52   2.742   0.569 -12.285
  415    HB2  ASN  52           2HB      ASN  52   3.983   1.808 -10.522
  416    HB3  ASN  52           1HB      ASN  52   4.072   3.203 -11.598
  417   HD21  ASN  52          1HD2      ASN  52   1.592   0.978 -10.190
  418   HD22  ASN  52          2HD2      ASN  52   0.399   2.177 -10.038
  419    H    ILE  53           H        ILE  53   4.446   3.087 -14.169
  420    HA   ILE  53           HA       ILE  53   2.134   4.381 -15.177
  421    HB   ILE  53           HB       ILE  53   4.812   3.931 -16.526
  422   HG12  ILE  53          2HG1      ILE  53   3.797   6.281 -14.895
  423   HG13  ILE  53          1HG1      ILE  53   4.889   5.041 -14.275
  424   HG21  ILE  53          1HG2      ILE  53   3.172   4.638 -18.146
  425   HG22  ILE  53          2HG2      ILE  53   4.167   6.035 -17.741
  426   HG23  ILE  53          3HG2      ILE  53   2.554   5.871 -17.050
  427   HD11  ILE  53          3HD1      ILE  53   5.876   6.034 -16.799
  428   HD12  ILE  53          1HD1      ILE  53   6.658   6.064 -15.218
  429   HD13  ILE  53          2HD1      ILE  53   5.590   7.383 -15.699
  430    H    LYS  54           H        LYS  54   4.092   1.809 -16.723
  431    HA   LYS  54           HA       LYS  54   2.247   1.363 -18.870
  432    HB2  LYS  54           2HB      LYS  54   4.303  -0.490 -17.624
  433    HB3  LYS  54           1HB      LYS  54   3.460  -0.806 -19.141
  434    HG2  LYS  54           2HG      LYS  54   4.362   1.344 -20.041
  435    HG3  LYS  54           1HG      LYS  54   5.289   1.539 -18.554
  436    HD2  LYS  54           2HD      LYS  54   6.396  -0.652 -19.000
  437    HD3  LYS  54           1HD      LYS  54   5.532  -0.744 -20.536
  438    HE2  LYS  54           2HE      LYS  54   6.971   1.796 -20.078
  439    HE3  LYS  54           1HE      LYS  54   8.006   0.379 -20.242
  440    HZ1  LYS  54           3HZ      LYS  54   5.944   0.293 -22.166
  441    HZ2  LYS  54           1HZ      LYS  54   7.622   0.343 -22.407
  442    HZ3  LYS  54           2HZ      LYS  54   6.743   1.790 -22.264
  443    H    LYS  55           H        LYS  55   2.551  -0.023 -15.626
  444    HA   LYS  55           HA       LYS  55   0.148  -1.707 -16.145
  445    HB2  LYS  55           2HB      LYS  55   2.342  -2.598 -15.030
  446    HB3  LYS  55           1HB      LYS  55   1.761  -1.742 -13.607
  447    HG2  LYS  55           2HG      LYS  55  -0.383  -2.982 -13.743
  448    HG3  LYS  55           1HG      LYS  55   0.241  -3.874 -15.130
  449    HD2  LYS  55           2HD      LYS  55   2.149  -4.650 -13.679
  450    HD3  LYS  55           1HD      LYS  55   1.334  -3.902 -12.304
  451    HE2  LYS  55           2HE      LYS  55  -0.126  -5.862 -14.065
  452    HE3  LYS  55           1HE      LYS  55   0.911  -6.429 -12.757
  453    HZ1  LYS  55           3HZ      LYS  55  -0.364  -4.904 -11.270
  454    HZ2  LYS  55           1HZ      LYS  55  -1.260  -6.208 -11.882
  455    HZ3  LYS  55           2HZ      LYS  55  -1.457  -4.656 -12.547
  456    H    ASN  56           H        ASN  56  -0.034   1.229 -15.794
  457    HA   ASN  56           HA       ASN  56  -0.680   2.093 -13.231
  458    HB2  ASN  56           2HB      ASN  56  -0.892   3.342 -15.523
  459    HB3  ASN  56           1HB      ASN  56  -2.555   2.753 -15.490
  460   HD21  ASN  56          1HD2      ASN  56  -1.904   2.948 -12.308
  461   HD22  ASN  56          2HD2      ASN  56  -2.341   4.555 -11.982
  462    H    VAL  57           H        VAL  57  -2.215   1.552 -11.756
  463    HA   VAL  57           HA       VAL  57  -4.535  -0.089 -12.673
  464    HB   VAL  57           HB       VAL  57  -2.782  -1.554 -11.702
  465   HG11  VAL  57          1HG1      VAL  57  -3.167  -0.598  -8.962
  466   HG12  VAL  57          2HG1      VAL  57  -2.382   0.597  -9.992
  467   HG13  VAL  57          3HG1      VAL  57  -1.673  -1.007  -9.807
  468   HG21  VAL  57          3HG2      VAL  57  -4.254  -2.775 -10.311
  469   HG22  VAL  57          1HG2      VAL  57  -5.341  -1.848 -11.345
  470   HG23  VAL  57          2HG2      VAL  57  -5.024  -1.314  -9.694
  471    H    LEU  58           H        LEU  58  -6.429   0.140 -11.383
  472    HA   LEU  58           HA       LEU  58  -6.672   2.721 -10.043
  473    HB2  LEU  58           2HB      LEU  58  -8.542   1.779 -11.365
  474    HB3  LEU  58           1HB      LEU  58  -8.633   0.411 -10.258
  475    HG   LEU  58           HG       LEU  58  -9.095   2.002  -8.388
  476   HD11  LEU  58          1HD1      LEU  58  -8.405   4.124  -8.815
  477   HD12  LEU  58          2HD1      LEU  58  -9.975   4.297  -9.597
  478   HD13  LEU  58          3HD1      LEU  58  -8.547   3.921 -10.561
  479   HD21  LEU  58          3HD2      LEU  58 -11.112   2.647 -10.499
  480   HD22  LEU  58          1HD2      LEU  58 -11.359   2.081  -8.848
  481   HD23  LEU  58          2HD2      LEU  58 -10.846   0.950 -10.099
  482    H    TRP  59           H        TRP  59  -6.449   3.064  -7.862
  483    HA   TRP  59           HA       TRP  59  -5.885   0.687  -6.192
  484    HB2  TRP  59           2HB      TRP  59  -5.403   3.646  -5.805
  485    HB3  TRP  59           1HB      TRP  59  -5.097   2.449  -4.546
  486    HD1  TRP  59           HD       TRP  59  -3.586   3.960  -7.587
  487    HE1  TRP  59           1HE      TRP  59  -1.403   2.729  -8.201
  488    HE3  TRP  59           3HE      TRP  59  -3.964  -0.082  -4.507
  489    HZ2  TRP  59           2HZ      TRP  59  -0.006   0.339  -7.480
  490    HZ3  TRP  59           3HZ      TRP  59  -2.201  -1.814  -4.482
  491    HH2  TRP  59           HH       TRP  59  -0.221  -1.613  -5.963
  492    H    ASP  60           H        ASP  60  -7.402  -0.088  -4.889
  493    HA   ASP  60           HA       ASP  60  -9.301   1.715  -3.534
  494    HB2  ASP  60           2HB      ASP  60 -11.269   0.424  -4.241
  495    HB3  ASP  60           1HB      ASP  60 -10.447   1.092  -5.652
  496    H    GLU  61           H        GLU  61 -10.740   0.176  -2.028
  497    HA   GLU  61           HA       GLU  61  -8.957  -1.122  -0.252
  498    HB2  GLU  61           2HB      GLU  61 -11.947  -1.506  -0.561
  499    HB3  GLU  61           1HB      GLU  61 -10.999  -1.987   0.847
  500    HG2  GLU  61           2HG      GLU  61 -10.315   0.367   1.183
  501    HG3  GLU  61           1HG      GLU  61 -11.294   0.842  -0.207
  502    H    ASN  62           H        ASN  62 -11.033  -2.527  -2.788
  503    HA   ASN  62           HA       ASN  62 -10.376  -5.258  -2.089
  504    HB2  ASN  62           2HB      ASN  62 -12.407  -4.589  -3.381
  505    HB3  ASN  62           1HB      ASN  62 -11.362  -4.175  -4.742
  506   HD21  ASN  62          1HD2      ASN  62 -10.671  -5.873  -6.094
  507   HD22  ASN  62          2HD2      ASN  62 -10.989  -7.514  -5.793
  508    H    ASN  63           H        ASN  63  -9.389  -3.265  -4.878
  509    HA   ASN  63           HA       ASN  63  -7.456  -5.082  -5.881
  510    HB2  ASN  63           2HB      ASN  63  -8.411  -3.085  -7.083
  511    HB3  ASN  63           1HB      ASN  63  -7.343  -2.070  -6.112
  512   HD21  ASN  63          1HD2      ASN  63  -5.405  -1.612  -7.134
  513   HD22  ASN  63          2HD2      ASN  63  -4.629  -2.616  -8.259
  514    H    MET  64           H        MET  64  -7.108  -2.439  -3.532
  515    HA   MET  64           HA       MET  64  -4.275  -2.486  -3.357
  516    HB2  MET  64           2HB      MET  64  -5.786  -0.770  -2.310
  517    HB3  MET  64           1HB      MET  64  -6.195  -1.957  -1.071
  518    HG2  MET  64           2HG      MET  64  -4.438  -0.721  -0.096
  519    HG3  MET  64           1HG      MET  64  -3.633  -2.160  -0.721
  520    HE1  MET  64           3HE      MET  64  -3.436   1.907  -0.966
  521    HE2  MET  64           1HE      MET  64  -4.976   1.163  -1.420
  522    HE3  MET  64           2HE      MET  64  -3.971   1.935  -2.645
  523    H    SER  65           H        SER  65  -6.718  -4.470  -1.692
  524    HA   SER  65           HA       SER  65  -4.938  -5.795   0.097
  525    HB2  SER  65           2HB      SER  65  -7.398  -6.974  -1.223
  526    HB3  SER  65           1HB      SER  65  -6.656  -7.504   0.283
  527    HG   SER  65           HG       SER  65  -8.454  -6.104   0.608
  528    H    GLU  66           H        GLU  66  -5.859  -6.546  -3.258
  529    HA   GLU  66           HA       GLU  66  -4.504  -9.045  -3.436
  530    HB2  GLU  66           2HB      GLU  66  -5.056  -6.956  -5.565
  531    HB3  GLU  66           1HB      GLU  66  -4.517  -8.603  -5.892
  532    HG2  GLU  66           2HG      GLU  66  -6.525  -9.476  -4.722
  533    HG3  GLU  66           1HG      GLU  66  -7.078  -7.820  -4.475
  534    H    HIS  67           H        HIS  67  -3.364  -5.723  -3.758
  535    HA   HIS  67           HA       HIS  67  -0.828  -6.270  -4.922
  536    HB2  HIS  67           2HB      HIS  67  -1.799  -4.006  -4.685
  537    HB3  HIS  67           1HB      HIS  67  -1.531  -4.088  -2.944
  538    HD1  HIS  67           1HD      HIS  67   0.614  -4.782  -6.016
  539    HD2  HIS  67           2HD      HIS  67   0.872  -2.846  -2.336
  540    HE1  HIS  67           1HE      HIS  67   2.934  -3.786  -5.893
  541    HE2  HIS  67           2HE      HIS  67   3.107  -2.610  -3.653
  542    H    LEU  68           H        LEU  68  -1.738  -5.993  -1.482
  543    HA   LEU  68           HA       LEU  68   0.844  -6.463  -0.418
  544    HB2  LEU  68           2HB      LEU  68  -1.939  -6.949   0.620
  545    HB3  LEU  68           1HB      LEU  68  -0.532  -7.431   1.564
  546    HG   LEU  68           HG       LEU  68   0.292  -5.175   1.648
  547   HD11  LEU  68          1HD1      LEU  68  -1.907  -4.585  -0.348
  548   HD12  LEU  68          2HD1      LEU  68  -0.170  -4.434  -0.607
  549   HD13  LEU  68          3HD1      LEU  68  -0.997  -3.334   0.495
  550   HD21  LEU  68          3HD2      LEU  68  -1.394  -5.511   3.304
  551   HD22  LEU  68          1HD2      LEU  68  -2.688  -5.384   2.113
  552   HD23  LEU  68          2HD2      LEU  68  -1.763  -3.951   2.564
  553    H    THR  69           H        THR  69  -1.538  -8.717  -1.712
  554    HA   THR  69           HA       THR  69   0.012 -11.026  -0.744
  555    HB   THR  69           HB       THR  69  -2.262 -11.016  -2.747
  556    HG1  THR  69           1HG      THR  69  -3.364 -11.673  -0.655
  557   HG21  THR  69          3HG2      THR  69  -1.385 -13.161  -0.803
  558   HG22  THR  69          1HG2      THR  69  -0.789 -13.072  -2.461
  559   HG23  THR  69          2HG2      THR  69  -2.507 -13.323  -2.153
  560    H    ASN  70           H        ASN  70   1.712 -11.846  -1.844
  561    HA   ASN  70           HA       ASN  70   3.354 -11.990  -3.533
  562    HB2  ASN  70           2HB      ASN  70   0.870 -12.464  -5.204
  563    HB3  ASN  70           1HB      ASN  70   2.501 -13.040  -5.551
  564   HD21  ASN  70          1HD2      ASN  70   3.179 -13.802  -2.816
  565   HD22  ASN  70          2HD2      ASN  70   2.233 -15.154  -2.420
  566    HA   PRO  71           HA       PRO  71   2.256  -7.685  -5.223
  567    HB2  PRO  71           2HB      PRO  71   4.440  -6.439  -4.088
  568    HB3  PRO  71           1HB      PRO  71   2.835  -6.502  -3.343
  569    HG2  PRO  71           2HG      PRO  71   5.241  -8.149  -2.797
  570    HG3  PRO  71           1HG      PRO  71   4.034  -7.506  -1.670
  571    HD2  PRO  71           2HD      PRO  71   4.037 -10.110  -2.449
  572    HD3  PRO  71           1HD      PRO  71   2.537  -9.232  -2.072
  573    H    ALA  72           H        ALA  72   5.099  -9.719  -5.121
  574    HA   ALA  72           HA       ALA  72   6.834  -8.301  -6.841
  575    HB1  ALA  72           1HB      ALA  72   6.633 -11.257  -7.185
  576    HB2  ALA  72           2HB      ALA  72   7.033 -10.654  -5.578
  577    HB3  ALA  72           3HB      ALA  72   8.060 -10.248  -6.952
  578    H    LYS  73           H        LYS  73   4.574 -10.916  -7.819
  579    HA   LYS  73           HA       LYS  73   4.884 -10.450 -10.620
  580    HB2  LYS  73           2HB      LYS  73   2.551 -11.635  -9.084
  581    HB3  LYS  73           1HB      LYS  73   2.747 -11.723 -10.834
  582    HG2  LYS  73           2HG      LYS  73   4.940 -12.868 -10.490
  583    HG3  LYS  73           1HG      LYS  73   4.629 -12.872  -8.754
  584    HD2  LYS  73           2HD      LYS  73   2.512 -14.134  -9.182
  585    HD3  LYS  73           1HD      LYS  73   2.953 -14.223 -10.888
  586    HE2  LYS  73           2HE      LYS  73   4.869 -15.167  -8.764
  587    HE3  LYS  73           1HE      LYS  73   3.584 -16.225  -9.347
  588    HZ1  LYS  73           3HZ      LYS  73   5.092 -16.736 -10.908
  589    HZ2  LYS  73           1HZ      LYS  73   5.980 -15.307 -10.691
  590    HZ3  LYS  73           2HZ      LYS  73   4.573 -15.294 -11.642
  591    H    TYR  74           H        TYR  74   2.794  -9.004  -8.196
  592    HA   TYR  74           HA       TYR  74   0.907  -7.725  -9.868
  593    HB2  TYR  74           2HB      TYR  74   0.767  -7.831  -7.399
  594    HB3  TYR  74           1HB      TYR  74   2.116  -6.703  -7.285
  595    HD1  TYR  74           2HD      TYR  74  -1.431  -7.092  -8.225
  596    HD2  TYR  74           1HD      TYR  74   1.859  -4.368  -7.836
  597    HE1  TYR  74           2HE      TYR  74  -2.995  -5.176  -8.416
  598    HE2  TYR  74           1HE      TYR  74   0.306  -2.452  -8.021
  599    HH   TYR  74           HH       TYR  74  -1.902  -1.857  -7.935
  600    H    ILE  75           H        ILE  75   4.054  -6.444  -8.693
  601    HA   ILE  75           HA       ILE  75   4.406  -4.954 -11.159
  602    HB   ILE  75           HB       ILE  75   2.749  -3.577  -9.792
  603   HG12  ILE  75          2HG1      ILE  75   4.340  -1.471 -10.002
  604   HG13  ILE  75          1HG1      ILE  75   5.361  -2.623 -10.868
  605   HG21  ILE  75          1HG2      ILE  75   3.311  -2.640  -7.795
  606   HG22  ILE  75          2HG2      ILE  75   5.018  -2.532  -8.197
  607   HG23  ILE  75          3HG2      ILE  75   4.333  -4.072  -7.671
  608   HD11  ILE  75          3HD1      ILE  75   3.497  -3.177 -12.365
  609   HD12  ILE  75          1HD1      ILE  75   3.812  -1.442 -12.403
  610   HD13  ILE  75          2HD1      ILE  75   2.447  -2.068 -11.481
  611    HA   PRO  76           HA       PRO  76   8.245  -6.028  -8.845
  612    HB2  PRO  76           2HB      PRO  76   9.434  -7.447 -10.838
  613    HB3  PRO  76           1HB      PRO  76   8.261  -8.158  -9.715
  614    HG2  PRO  76           2HG      PRO  76   7.926  -7.355 -12.537
  615    HG3  PRO  76           1HG      PRO  76   7.124  -8.638 -11.620
  616    HD2  PRO  76           2HD      PRO  76   6.032  -6.115 -12.239
  617    HD3  PRO  76           1HD      PRO  76   5.388  -7.267 -11.054
  618    H    GLY  77           H        GLY  77   7.685  -4.529 -11.941
  619    HA2  GLY  77           2HA      GLY  77  10.310  -3.769 -12.665
  620    HA3  GLY  77           1HA      GLY  77   8.866  -2.838 -13.059
  621    H    THR  78           H        THR  78   8.219  -2.539 -10.137
  622    HA   THR  78           HA       THR  78   9.751  -0.095  -9.725
  623    HB   THR  78           HB       THR  78   8.345   0.251  -7.804
  624    HG1  THR  78           1HG      THR  78   8.584  -1.962  -7.071
  625   HG21  THR  78          3HG2      THR  78   6.070  -0.215  -8.785
  626   HG22  THR  78          1HG2      THR  78   6.876  -1.124 -10.061
  627   HG23  THR  78          2HG2      THR  78   7.180   0.603  -9.884
  628    H    LYS  79           H        LYS  79  10.898   0.336  -7.658
  629    HA   LYS  79           HA       LYS  79  12.821  -1.785  -7.078
  630    HB2  LYS  79           2HB      LYS  79  12.449   0.845  -5.621
  631    HB3  LYS  79           1HB      LYS  79  13.924  -0.110  -5.754
  632    HG2  LYS  79           2HG      LYS  79  14.064   0.335  -8.139
  633    HG3  LYS  79           1HG      LYS  79  12.508   1.164  -8.109
  634    HD2  LYS  79           2HD      LYS  79  13.644   2.675  -6.293
  635    HD3  LYS  79           1HD      LYS  79  15.147   2.061  -6.982
  636    HE2  LYS  79           2HE      LYS  79  12.962   3.272  -8.695
  637    HE3  LYS  79           1HE      LYS  79  14.248   4.235  -7.985
  638    HZ1  LYS  79           3HZ      LYS  79  14.538   1.979  -9.883
  639    HZ2  LYS  79           1HZ      LYS  79  15.845   2.677  -9.057
  640    HZ3  LYS  79           2HZ      LYS  79  14.937   3.610 -10.149
  641    H    MET  80           H        MET  80   9.738  -1.428  -6.139
  642    HA   MET  80           HA       MET  80   9.984  -1.748  -3.255
  643    HB2  MET  80           2HB      MET  80   8.025  -0.673  -4.299
  644    HB3  MET  80           1HB      MET  80   7.615  -2.195  -5.086
  645    HG2  MET  80           2HG      MET  80   7.227  -3.275  -2.973
  646    HG3  MET  80           1HG      MET  80   7.886  -1.899  -2.087
  647    HE1  MET  80           3HE      MET  80   5.356  -3.371  -1.571
  648    HE2  MET  80           1HE      MET  80   4.592  -3.549  -3.157
  649    HE3  MET  80           2HE      MET  80   3.837  -2.549  -1.918
  650    H    ALA  81           H        ALA  81   9.810  -3.615  -2.063
  651    HA   ALA  81           HA       ALA  81   9.259  -6.184  -3.417
  652    HB1  ALA  81           1HB      ALA  81  11.905  -5.358  -2.304
  653    HB2  ALA  81           2HB      ALA  81  11.544  -6.408  -3.674
  654    HB3  ALA  81           3HB      ALA  81  11.379  -7.017  -2.026
  655    H    PHE  82           H        PHE  82   7.377  -6.094  -2.052
  656    HA   PHE  82           HA       PHE  82   7.884  -6.284   0.878
  657    HB2  PHE  82           2HB      PHE  82   6.216  -4.619   0.144
  658    HB3  PHE  82           1HB      PHE  82   5.289  -5.894  -0.644
  659    HD1  PHE  82           1HD      PHE  82   6.471  -4.614   2.635
  660    HD2  PHE  82           2HD      PHE  82   3.889  -7.384   0.608
  661    HE1  PHE  82           1HE      PHE  82   5.317  -5.106   4.774
  662    HE2  PHE  82           2HE      PHE  82   2.737  -7.878   2.746
  663    HZ   PHE  82           HZ       PHE  82   3.449  -6.740   4.831
  664    H    GLY  83           H        GLY  83   7.518  -8.197   1.957
  665    HA2  GLY  83           2HA      GLY  83   7.105 -10.613   0.404
  666    HA3  GLY  83           1HA      GLY  83   7.227 -10.528   2.162
  667    H    GLY  84           H        GLY  84   5.228 -11.872   0.261
  668    HA2  GLY  84           2HA      GLY  84   2.705 -10.506   0.659
  669    HA3  GLY  84           1HA      GLY  84   2.896 -12.180   0.135
  670    H    LEU  85           H        LEU  85   1.011 -11.131   2.149
  671    HA   LEU  85           HA       LEU  85   2.097 -12.263   4.672
  672    HB2  LEU  85           2HB      LEU  85  -0.564 -10.901   4.165
  673    HB3  LEU  85           1HB      LEU  85   0.135 -11.285   5.737
  674    HG   LEU  85           HG       LEU  85   1.285  -9.370   3.688
  675   HD11  LEU  85          1HD1      LEU  85   0.562  -8.607   6.482
  676   HD12  LEU  85          2HD1      LEU  85  -0.755  -8.836   5.334
  677   HD13  LEU  85          3HD1      LEU  85   0.503  -7.645   5.005
  678   HD21  LEU  85          3HD2      LEU  85   2.787  -8.907   5.815
  679   HD22  LEU  85          1HD2      LEU  85   3.193 -10.223   4.714
  680   HD23  LEU  85          2HD2      LEU  85   2.352 -10.566   6.225
  681    H    LYS  86           H        LYS  86   1.626 -14.328   5.216
  682    HA   LYS  86           HA       LYS  86   0.039 -16.030   3.554
  683    HB2  LYS  86           2HB      LYS  86   1.880 -16.818   5.046
  684    HB3  LYS  86           1HB      LYS  86   0.850 -16.485   6.438
  685    HG2  LYS  86           2HG      LYS  86  -0.818 -18.081   5.631
  686    HG3  LYS  86           1HG      LYS  86   0.134 -18.372   4.176
  687    HD2  LYS  86           2HD      LYS  86   0.581 -20.167   5.744
  688    HD3  LYS  86           1HD      LYS  86   2.020 -19.154   5.635
  689    HE2  LYS  86           2HE      LYS  86  -0.036 -18.524   7.727
  690    HE3  LYS  86           1HE      LYS  86   1.078 -19.867   7.998
  691    HZ1  LYS  86           3HZ      LYS  86   2.507 -17.658   7.003
  692    HZ2  LYS  86           1HZ      LYS  86   2.668 -18.435   8.504
  693    HZ3  LYS  86           2HZ      LYS  86   1.570 -17.149   8.326
  694    H    LYS  87           H        LYS  87  -0.702 -14.369   6.621
  695    HA   LYS  87           HA       LYS  87  -3.397 -15.548   6.643
  696    HB2  LYS  87           2HB      LYS  87  -2.057 -13.546   8.477
  697    HB3  LYS  87           1HB      LYS  87  -3.685 -14.181   8.717
  698    HG2  LYS  87           2HG      LYS  87  -2.710 -16.497   8.715
  699    HG3  LYS  87           1HG      LYS  87  -1.104 -15.766   8.675
  700    HD2  LYS  87           2HD      LYS  87  -1.667 -14.519  10.765
  701    HD3  LYS  87           1HD      LYS  87  -3.203 -15.386  10.826
  702    HE2  LYS  87           2HE      LYS  87  -1.625 -16.545  12.259
  703    HE3  LYS  87           1HE      LYS  87  -1.909 -17.542  10.832
  704    HZ1  LYS  87           3HZ      LYS  87   0.407 -15.753  11.325
  705    HZ2  LYS  87           1HZ      LYS  87   0.110 -16.540   9.852
  706    HZ3  LYS  87           2HZ      LYS  87   0.424 -17.451  11.251
  707    H    GLU  88           H        GLU  88  -5.144 -14.596   5.778
  708    HA   GLU  88           HA       GLU  88  -4.898 -12.068   4.362
  709    HB2  GLU  88           2HB      GLU  88  -7.299 -13.828   4.936
  710    HB3  GLU  88           1HB      GLU  88  -7.324 -12.421   3.872
  711    HG2  GLU  88           2HG      GLU  88  -5.547 -13.465   2.484
  712    HG3  GLU  88           1HG      GLU  88  -5.600 -14.890   3.521
  713    H    LYS  89           H        LYS  89  -6.341 -13.117   7.422
  714    HA   LYS  89           HA       LYS  89  -7.881 -10.808   7.985
  715    HB2  LYS  89           2HB      LYS  89  -6.366 -12.624   9.884
  716    HB3  LYS  89           1HB      LYS  89  -7.583 -11.445  10.381
  717    HG2  LYS  89           2HG      LYS  89  -9.234 -12.587   8.893
  718    HG3  LYS  89           1HG      LYS  89  -8.018 -13.814   8.539
  719    HD2  LYS  89           2HD      LYS  89  -7.862 -14.307  10.984
  720    HD3  LYS  89           1HD      LYS  89  -9.177 -13.166  11.264
  721    HE2  LYS  89           2HE      LYS  89  -9.842 -15.059   9.155
  722    HE3  LYS  89           1HE      LYS  89  -9.446 -15.883  10.662
  723    HZ1  LYS  89           3HZ      LYS  89 -11.804 -14.574  10.021
  724    HZ2  LYS  89           1HZ      LYS  89 -11.041 -13.619  11.198
  725    HZ3  LYS  89           2HZ      LYS  89 -11.372 -15.255  11.517
  726    H    ASP  90           H        ASP  90  -4.444 -11.471   8.725
  727    HA   ASP  90           HA       ASP  90  -3.946  -9.001  10.066
  728    HB2  ASP  90           2HB      ASP  90  -2.109 -10.791   8.447
  729    HB3  ASP  90           1HB      ASP  90  -1.555  -9.443   9.436
  730    H    ARG  91           H        ARG  91  -3.846  -9.936   6.661
  731    HA   ARG  91           HA       ARG  91  -2.707  -7.571   5.588
  732    HB2  ARG  91           2HB      ARG  91  -3.086  -9.648   4.294
  733    HB3  ARG  91           1HB      ARG  91  -4.825  -9.366   4.370
  734    HG2  ARG  91           2HG      ARG  91  -4.523  -7.217   3.183
  735    HG3  ARG  91           1HG      ARG  91  -2.788  -7.527   3.082
  736    HD2  ARG  91           2HD      ARG  91  -3.796  -8.213   0.989
  737    HD3  ARG  91           1HD      ARG  91  -3.306  -9.663   1.863
  738    HE   ARG  91           HE       ARG  91  -6.009  -9.074   2.548
  739   HH11  ARG  91          1HH2      ARG  91  -4.027 -10.050  -0.098
  740   HH12  ARG  91          2HH2      ARG  91  -5.282 -10.957  -0.876
  741   HH21  ARG  91          1HH1      ARG  91  -7.658 -10.252   1.548
  742   HH22  ARG  91          2HH1      ARG  91  -7.338 -11.071   0.057
  743    H    ASN  92           H        ASN  92  -6.098  -8.355   6.346
  744    HA   ASN  92           HA       ASN  92  -7.279  -6.031   5.230
  745    HB2  ASN  92           2HB      ASN  92  -8.467  -8.079   6.169
  746    HB3  ASN  92           1HB      ASN  92  -8.215  -7.378   7.768
  747   HD21  ASN  92          1HD2      ASN  92 -10.690  -7.281   7.784
  748   HD22  ASN  92          2HD2      ASN  92 -11.438  -5.944   7.053
  749    H    ASP  93           H        ASP  93  -5.890  -6.552   8.477
  750    HA   ASP  93           HA       ASP  93  -6.633  -4.024   9.548
  751    HB2  ASP  93           2HB      ASP  93  -4.280  -5.828  10.164
  752    HB3  ASP  93           1HB      ASP  93  -4.740  -4.431  11.132
  753    H    LEU  94           H        LEU  94  -3.772  -5.043   7.693
  754    HA   LEU  94           HA       LEU  94  -2.278  -2.648   7.968
  755    HB2  LEU  94           2HB      LEU  94  -1.369  -4.726   6.982
  756    HB3  LEU  94           1HB      LEU  94  -2.416  -4.513   5.578
  757    HG   LEU  94           HG       LEU  94  -1.309  -2.387   5.049
  758   HD11  LEU  94          1HD1      LEU  94  -0.023  -2.921   7.694
  759   HD12  LEU  94          2HD1      LEU  94  -0.586  -1.398   7.006
  760   HD13  LEU  94          3HD1      LEU  94   0.936  -2.106   6.458
  761   HD21  LEU  94          3HD2      LEU  94   1.177  -3.729   5.257
  762   HD22  LEU  94          1HD2      LEU  94   0.094  -3.696   3.866
  763   HD23  LEU  94          2HD2      LEU  94  -0.048  -4.983   5.065
  764    H    ILE  95           H        ILE  95  -4.761  -3.528   5.559
  765    HA   ILE  95           HA       ILE  95  -4.564  -1.096   4.055
  766    HB   ILE  95           HB       ILE  95  -6.935  -2.929   4.459
  767   HG12  ILE  95          2HG1      ILE  95  -4.881  -2.822   2.230
  768   HG13  ILE  95          1HG1      ILE  95  -4.879  -4.009   3.535
  769   HG21  ILE  95          1HG2      ILE  95  -6.570  -0.436   2.980
  770   HG22  ILE  95          2HG2      ILE  95  -8.055  -1.317   3.337
  771   HG23  ILE  95          3HG2      ILE  95  -7.080  -1.763   1.936
  772   HD11  ILE  95          3HD1      ILE  95  -6.705  -3.768   1.194
  773   HD12  ILE  95          1HD1      ILE  95  -7.416  -4.316   2.713
  774   HD13  ILE  95          2HD1      ILE  95  -6.082  -5.214   1.989
  775    H    THR  96           H        THR  96  -6.430  -2.028   6.900
  776    HA   THR  96           HA       THR  96  -8.143   0.228   7.051
  777    HB   THR  96           HB       THR  96  -6.932  -1.180   9.439
  778    HG1  THR  96           1HG      THR  96  -7.921  -2.907   8.817
  779   HG21  THR  96          3HG2      THR  96  -8.763   0.879   9.243
  780   HG22  THR  96          1HG2      THR  96  -8.607  -0.216  10.618
  781   HG23  THR  96          2HG2      THR  96  -9.796  -0.547   9.357
  782    H    TYR  97           H        TYR  97  -4.830  -0.234   8.276
  783    HA   TYR  97           HA       TYR  97  -4.653   2.210   9.718
  784    HB2  TYR  97           2HB      TYR  97  -2.990   0.392   9.902
  785    HB3  TYR  97           1HB      TYR  97  -2.442   0.736   8.262
  786    HD1  TYR  97           1HD      TYR  97  -2.769   2.170  11.678
  787    HD2  TYR  97           2HD      TYR  97  -0.963   2.550   7.800
  788    HE1  TYR  97           1HE      TYR  97  -1.271   3.945  12.550
  789    HE2  TYR  97           2HE      TYR  97   0.535   4.325   8.670
  790    HH   TYR  97           HH       TYR  97   1.236   4.818  11.689
  791    H    LEU  98           H        LEU  98  -3.764   1.519   6.305
  792    HA   LEU  98           HA       LEU  98  -2.920   4.217   5.784
  793    HB2  LEU  98           2HB      LEU  98  -3.881   2.046   3.904
  794    HB3  LEU  98           1HB      LEU  98  -3.182   3.575   3.372
  795    HG   LEU  98           HG       LEU  98  -1.796   1.559   5.167
  796   HD11  LEU  98          1HD1      LEU  98  -1.366   0.497   3.215
  797   HD12  LEU  98          2HD1      LEU  98  -0.354   1.883   2.805
  798   HD13  LEU  98          3HD1      LEU  98  -2.032   1.825   2.265
  799   HD21  LEU  98          3HD2      LEU  98   0.131   3.204   4.189
  800   HD22  LEU  98          1HD2      LEU  98  -0.680   3.483   5.728
  801   HD23  LEU  98          2HD2      LEU  98  -1.216   4.335   4.279
  802    H    LYS  99           H        LYS  99  -6.053   2.591   5.435
  803    HA   LYS  99           HA       LYS  99  -7.396   4.650   4.032
  804    HB2  LYS  99           2HB      LYS  99  -8.398   2.664   6.088
  805    HB3  LYS  99           1HB      LYS  99  -9.461   3.727   5.169
  806    HG2  LYS  99           2HG      LYS  99  -8.706   2.765   3.073
  807    HG3  LYS  99           1HG      LYS  99  -7.489   1.804   3.908
  808    HD2  LYS  99           2HD      LYS  99  -9.508   0.466   3.348
  809    HD3  LYS  99           1HD      LYS  99  -9.241   0.561   5.087
  810    HE2  LYS  99           2HE      LYS  99 -10.994   2.596   3.743
  811    HE3  LYS  99           1HE      LYS  99 -11.643   1.003   4.130
  812    HZ1  LYS  99           3HZ      LYS  99 -11.506   1.372   6.344
  813    HZ2  LYS  99           1HZ      LYS  99 -11.688   2.984   5.850
  814    HZ3  LYS  99           2HZ      LYS  99 -10.144   2.379   6.220
  815    H    LYS 100           H        LYS 100  -6.825   4.244   7.525
  816    HA   LYS 100           HA       LYS 100  -8.410   6.452   8.398
  817    HB2  LYS 100           2HB      LYS 100  -5.895   5.234   9.564
  818    HB3  LYS 100           1HB      LYS 100  -6.888   6.429  10.398
  819    HG2  LYS 100           2HG      LYS 100  -8.840   4.908  10.215
  820    HG3  LYS 100           1HG      LYS 100  -7.807   3.703   9.446
  821    HD2  LYS 100           2HD      LYS 100  -6.379   3.623  11.437
  822    HD3  LYS 100           1HD      LYS 100  -7.362   4.868  12.203
  823    HE2  LYS 100           2HE      LYS 100  -9.312   3.394  12.180
  824    HE3  LYS 100           1HE      LYS 100  -8.400   2.164  11.305
  825    HZ1  LYS 100           3HZ      LYS 100  -8.063   1.409  13.391
  826    HZ2  LYS 100           1HZ      LYS 100  -8.271   2.932  14.111
  827    HZ3  LYS 100           2HZ      LYS 100  -6.795   2.539  13.367
  828    H    ALA 101           H        ALA 101  -4.979   6.254   7.510
  829    HA   ALA 101           HA       ALA 101  -4.335   8.984   8.024
  830    HB1  ALA 101           1HB      ALA 101  -3.057   6.705   6.829
  831    HB2  ALA 101           2HB      ALA 101  -2.312   8.170   7.468
  832    HB3  ALA 101           3HB      ALA 101  -2.821   8.104   5.781
  833    H    THR 102           H        THR 102  -5.822   7.405   5.244
  834    HA   THR 102           HA       THR 102  -5.607   9.670   3.465
  835    HB   THR 102           HB       THR 102  -7.216   8.482   2.078
  836    HG1  THR 102           1HG      THR 102  -8.751   7.624   3.238
  837   HG21  THR 102          3HG2      THR 102  -5.431   7.199   1.587
  838   HG22  THR 102          1HG2      THR 102  -6.065   6.019   2.734
  839   HG23  THR 102          2HG2      THR 102  -4.882   7.217   3.263
  840    H    GLU 103           H        GLU 103  -7.696   8.895   6.117
  841    HA   GLU 103           HA       GLU 103  -9.989  10.437   5.385
  842    HB2  GLU 103           2HB      GLU 103  -9.893   8.827   7.303
  843    HB3  GLU 103           1HB      GLU 103  -8.887   9.984   8.174
  844    HG2  GLU 103           2HG      GLU 103 -10.704  11.679   7.949
  845    HG3  GLU 103           1HG      GLU 103 -11.715  10.453   7.184
  846    HHA  HEC 201           HA       HEC 104   4.685   2.742  -5.705
  847    HHB  HEC 201           HB       HEC 104   1.065  -0.110  -1.373
  848    HHC  HEC 201           HC       HEC 104   6.189  -1.249   2.143
  849    HHD  HEC 201           HD       HEC 104   9.833   1.373  -2.317
  850   HMA1  HEC 201          1HMA      HEC 104  -0.123   1.479  -2.515
  851   HMA2  HEC 201          2HMA      HEC 104  -0.251   0.405  -3.909
  852   HMA3  HEC 201          3HMA      HEC 104  -0.173   2.150  -4.147
  853   HAA1  HEC 201          1HAA      HEC 104   2.572   1.398  -6.656
  854   HAA2  HEC 201          2HAA      HEC 104   0.971   1.852  -6.095
  855   HBA1  HEC 201          1HBA      HEC 104   2.905   3.520  -7.297
  856   HBA2  HEC 201          2HBA      HEC 104   2.795   4.022  -5.610
  857   HMB1  HEC 201          1HMB      HEC 104   0.458  -1.215   1.266
  858   HMB2  HEC 201          2HMB      HEC 104   0.881  -2.066  -0.212
  859   HMB3  HEC 201          3HMB      HEC 104   1.359  -2.729   1.342
  860    HAB  HEC 201           HAB      HEC 104   4.426  -2.082   3.253
  861   HBB1  HEC 201          1HBB      HEC 104   2.211  -3.000   3.361
  862   HBB2  HEC 201          2HBB      HEC 104   1.479  -1.399   3.247
  863   HBB3  HEC 201          3HBB      HEC 104   2.367  -1.859   4.690
  864   HMC1  HEC 201          1HMC      HEC 104   8.462  -1.273   2.893
  865   HMC2  HEC 201          2HMC      HEC 104  10.014  -1.370   2.058
  866   HMC3  HEC 201          3HMC      HEC 104   8.707  -2.471   1.622
  867    HAC  HEC 201           HAC      HEC 104  10.886   1.415  -0.384
  868   HBC1  HEC 201          1HBC      HEC 104  12.448  -0.193  -0.580
  869   HBC2  HEC 201          2HBC      HEC 104  12.084  -0.798   1.036
  870   HBC3  HEC 201          3HBC      HEC 104  11.169  -1.387  -0.351
  871   HMD1  HEC 201          1HMD      HEC 104  10.487   2.546  -4.173
  872   HMD2  HEC 201          2HMD      HEC 104   9.855   2.919  -5.776
  873   HMD3  HEC 201          3HMD      HEC 104   9.987   1.241  -5.249
  874   HAD1  HEC 201          1HAD      HEC 104   8.094   4.345  -6.083
  875   HAD2  HEC 201          2HAD      HEC 104   6.339   4.284  -6.048
  876   HBD1  HEC 201          1HBD      HEC 104   8.229   2.704  -7.781
  877   HBD2  HEC 201          2HBD      HEC 104   6.566   2.179  -7.521
  Start of MODEL   14
    1    H1   THR  -5           1HT      THR  -5 -15.103  -7.808  -3.843
    2    H2   THR  -5           2HT      THR  -5 -14.629  -7.857  -2.213
    3    H3   THR  -5           3HT      THR  -5 -13.563  -7.259  -3.393
    4    HA   THR  -5           HA       THR  -5 -14.422  -5.225  -3.316
    5    HB   THR  -5           HB       THR  -5 -16.963  -4.938  -3.268
    6    HG1  THR  -5           1HG      THR  -5 -16.693  -7.744  -3.320
    7   HG21  THR  -5          1HG2      THR  -5 -16.979  -6.391  -5.608
    8   HG22  THR  -5          2HG2      THR  -5 -15.258  -6.105  -5.356
    9   HG23  THR  -5          3HG2      THR  -5 -16.375  -4.742  -5.446
   10    H    GLU  -4           H        GLU  -4 -14.056  -4.128  -1.459
   11    HA   GLU  -4           HA       GLU  -4 -14.107  -3.538   0.810
   12    HB2  GLU  -4           2HB      GLU  -4 -16.525  -3.200   0.222
   13    HB3  GLU  -4           1HB      GLU  -4 -16.839  -4.852   0.753
   14    HG2  GLU  -4           2HG      GLU  -4 -15.910  -4.275   2.994
   15    HG3  GLU  -4           1HG      GLU  -4 -15.721  -2.605   2.454
   16    H    PHE  -3           H        PHE  -3 -13.725  -4.450   2.897
   17    HA   PHE  -3           HA       PHE  -3 -13.755  -7.435   2.999
   18    HB2  PHE  -3           2HB      PHE  -3 -11.576  -7.391   4.102
   19    HB3  PHE  -3           1HB      PHE  -3 -11.469  -6.570   2.547
   20    HD1  PHE  -3           1HD      PHE  -3 -11.364  -4.092   2.433
   21    HD2  PHE  -3           2HD      PHE  -3 -11.339  -6.195   6.169
   22    HE1  PHE  -3           1HE      PHE  -3 -10.552  -2.045   3.578
   23    HE2  PHE  -3           2HE      PHE  -3 -10.532  -4.149   7.322
   24    HZ   PHE  -3           HZ       PHE  -3 -10.140  -2.076   6.023
   25    H    LYS  -2           H        LYS  -2 -13.591  -8.227   5.328
   26    HA   LYS  -2           HA       LYS  -2 -15.653  -7.031   6.902
   27    HB2  LYS  -2           2HB      LYS  -2 -14.965  -9.426   7.044
   28    HB3  LYS  -2           1HB      LYS  -2 -13.475  -8.918   7.839
   29    HG2  LYS  -2           2HG      LYS  -2 -14.744  -7.930   9.675
   30    HG3  LYS  -2           1HG      LYS  -2 -16.264  -8.310   8.862
   31    HD2  LYS  -2           2HD      LYS  -2 -15.863 -10.018  10.532
   32    HD3  LYS  -2           1HD      LYS  -2 -15.617 -10.742   8.941
   33    HE2  LYS  -2           2HE      LYS  -2 -13.282 -10.768   9.174
   34    HE3  LYS  -2           1HE      LYS  -2 -13.297  -9.529  10.430
   35    HZ1  LYS  -2           3HZ      LYS  -2 -14.662 -11.308  11.709
   36    HZ2  LYS  -2           1HZ      LYS  -2 -12.971 -11.423  11.652
   37    HZ3  LYS  -2           2HZ      LYS  -2 -13.922 -12.393  10.632
   38    H    ALA  -1           H        ALA  -1 -15.583  -5.355   8.315
   39    HA   ALA  -1           HA       ALA  -1 -13.530  -3.549   8.634
   40    HB1  ALA  -1           1HB      ALA  -1 -14.560  -2.835  10.706
   41    HB2  ALA  -1           2HB      ALA  -1 -15.338  -4.404  10.912
   42    HB3  ALA  -1           3HB      ALA  -1 -15.841  -3.334   9.602
   43    H    GLY   1           H        GLY   1 -11.471  -4.469   8.783
   44    HA2  GLY   1           2HA      GLY   1 -10.895  -6.312  11.026
   45    HA3  GLY   1           1HA      GLY   1  -9.779  -5.886   9.728
   46    H    SER   2           H        SER   2  -9.281  -5.789  12.629
   47    HA   SER   2           HA       SER   2  -9.358  -3.040  13.508
   48    HB2  SER   2           2HB      SER   2  -8.024  -3.769  15.351
   49    HB3  SER   2           1HB      SER   2  -9.079  -5.127  14.967
   50    HG   SER   2           HG       SER   2  -6.978  -5.874  15.166
   51    H    ALA   3           H        ALA   3  -7.502  -1.597  13.690
   52    HA   ALA   3           HA       ALA   3  -5.612  -1.965  11.421
   53    HB1  ALA   3           1HB      ALA   3  -6.070   0.208  11.060
   54    HB2  ALA   3           2HB      ALA   3  -5.266   0.589  12.584
   55    HB3  ALA   3           3HB      ALA   3  -7.005   0.294  12.554
   56    H    LYS   4           H        LYS   4  -5.727  -2.282  14.794
   57    HA   LYS   4           HA       LYS   4  -3.185  -1.301  15.589
   58    HB2  LYS   4           2HB      LYS   4  -4.963  -2.125  17.146
   59    HB3  LYS   4           1HB      LYS   4  -4.585  -3.773  16.646
   60    HG2  LYS   4           2HG      LYS   4  -2.240  -3.440  17.395
   61    HG3  LYS   4           1HG      LYS   4  -2.667  -1.823  17.953
   62    HD2  LYS   4           2HD      LYS   4  -4.388  -2.842  19.452
   63    HD3  LYS   4           1HD      LYS   4  -3.827  -4.439  18.957
   64    HE2  LYS   4           2HE      LYS   4  -1.878  -4.280  20.158
   65    HE3  LYS   4           1HE      LYS   4  -1.745  -2.539  19.913
   66    HZ1  LYS   4           3HZ      LYS   4  -4.012  -3.403  21.495
   67    HZ2  LYS   4           1HZ      LYS   4  -2.954  -2.100  21.734
   68    HZ3  LYS   4           2HZ      LYS   4  -2.494  -3.666  22.210
   69    H    LYS   5           H        LYS   5  -4.084  -4.585  14.457
   70    HA   LYS   5           HA       LYS   5  -1.402  -5.603  14.541
   71    HB2  LYS   5           2HB      LYS   5  -3.772  -6.445  12.843
   72    HB3  LYS   5           1HB      LYS   5  -2.281  -7.371  13.013
   73    HG2  LYS   5           2HG      LYS   5  -2.657  -7.450  15.480
   74    HG3  LYS   5           1HG      LYS   5  -4.203  -6.636  15.239
   75    HD2  LYS   5           2HD      LYS   5  -4.899  -8.500  13.725
   76    HD3  LYS   5           1HD      LYS   5  -3.394  -9.332  14.113
   77    HE2  LYS   5           2HE      LYS   5  -3.998  -9.523  16.430
   78    HE3  LYS   5           1HE      LYS   5  -5.377  -8.443  16.220
   79    HZ1  LYS   5           3HZ      LYS   5  -5.033 -11.198  15.199
   80    HZ2  LYS   5           1HZ      LYS   5  -6.198 -10.147  14.556
   81    HZ3  LYS   5           2HZ      LYS   5  -6.267 -10.588  16.196
   82    H    GLY   6           H        GLY   6  -3.339  -4.225  11.883
   83    HA2  GLY   6           2HA      GLY   6  -1.303  -4.443   9.887
   84    HA3  GLY   6           1HA      GLY   6  -2.677  -3.340   9.819
   85    H    ALA   7           H        ALA   7  -1.943  -2.035  12.377
   86    HA   ALA   7           HA       ALA   7  -0.370   0.092  11.349
   87    HB1  ALA   7           1HB      ALA   7  -1.880   0.201  13.367
   88    HB2  ALA   7           2HB      ALA   7  -0.296   0.935  13.614
   89    HB3  ALA   7           3HB      ALA   7  -0.638  -0.667  14.269
   90    H    THR   8           H        THR   8   0.588  -2.627  13.456
   91    HA   THR   8           HA       THR   8   3.363  -1.803  13.537
   92    HB   THR   8           HB       THR   8   3.751  -3.962  14.593
   93    HG1  THR   8           1HG      THR   8   2.116  -5.509  14.616
   94   HG21  THR   8          3HG2      THR   8   2.836  -2.997  16.403
   95   HG22  THR   8          1HG2      THR   8   1.307  -3.759  15.970
   96   HG23  THR   8          2HG2      THR   8   1.671  -2.130  15.402
   97    H    LEU   9           H        LEU   9   1.486  -4.090  11.551
   98    HA   LEU   9           HA       LEU   9   3.683  -5.263  10.167
   99    HB2  LEU   9           2HB      LEU   9   1.280  -6.023  10.014
  100    HB3  LEU   9           1HB      LEU   9   0.956  -4.614   9.002
  101    HG   LEU   9           HG       LEU   9   3.013  -5.519   7.615
  102   HD11  LEU   9          1HD1      LEU   9   3.042  -8.017   7.643
  103   HD12  LEU   9          2HD1      LEU   9   1.994  -7.981   9.061
  104   HD13  LEU   9          3HD1      LEU   9   3.622  -7.311   9.152
  105   HD21  LEU   9          3HD2      LEU   9   1.403  -6.925   6.288
  106   HD22  LEU   9          1HD2      LEU   9   0.780  -5.325   6.689
  107   HD23  LEU   9          2HD2      LEU   9   0.235  -6.736   7.596
  108    H    PHE  10           H        PHE  10   1.827  -2.314   9.608
  109    HA   PHE  10           HA       PHE  10   3.095  -1.516   7.169
  110    HB2  PHE  10           2HB      PHE  10   0.993  -0.521   8.127
  111    HB3  PHE  10           1HB      PHE  10   1.972   0.247   9.372
  112    HD1  PHE  10           2HD      PHE  10   1.246   0.137   5.742
  113    HD2  PHE  10           1HD      PHE  10   3.346   2.157   8.896
  114    HE1  PHE  10           2HE      PHE  10   1.741   2.023   4.207
  115    HE2  PHE  10           1HE      PHE  10   3.834   4.041   7.364
  116    HZ   PHE  10           HZ       PHE  10   3.039   3.974   5.023
  117    H    LYS  11           H        LYS  11   3.755  -0.756  10.574
  118    HA   LYS  11           HA       LYS  11   6.027   0.917  10.142
  119    HB2  LYS  11           2HB      LYS  11   4.700   0.617  12.302
  120    HB3  LYS  11           1HB      LYS  11   5.575  -0.895  12.524
  121    HG2  LYS  11           2HG      LYS  11   7.724   0.337  12.407
  122    HG3  LYS  11           1HG      LYS  11   6.830   1.851  12.253
  123    HD2  LYS  11           2HD      LYS  11   5.715   1.361  14.437
  124    HD3  LYS  11           1HD      LYS  11   6.742  -0.063  14.603
  125    HE2  LYS  11           2HE      LYS  11   8.526   1.170  15.241
  126    HE3  LYS  11           1HE      LYS  11   8.265   2.352  13.958
  127    HZ1  LYS  11           3HZ      LYS  11   6.545   2.254  16.361
  128    HZ2  LYS  11           1HZ      LYS  11   6.736   3.524  15.253
  129    HZ3  LYS  11           2HZ      LYS  11   7.991   3.146  16.333
  130    H    THR  12           H        THR  12   5.709  -2.584  10.576
  131    HA   THR  12           HA       THR  12   8.532  -3.107  10.729
  132    HB   THR  12           HB       THR  12   7.916  -5.445  10.444
  133    HG1  THR  12           1HG      THR  12   6.080  -4.468   8.896
  134   HG21  THR  12          3HG2      THR  12   5.616  -5.057  11.998
  135   HG22  THR  12          1HG2      THR  12   6.613  -3.634  12.300
  136   HG23  THR  12          2HG2      THR  12   7.266  -5.246  12.590
  137    H    ARG  13           H        ARG  13   6.295  -2.901   7.966
  138    HA   ARG  13           HA       ARG  13   8.678  -2.950   6.213
  139    HB2  ARG  13           2HB      ARG  13   6.346  -4.859   5.907
  140    HB3  ARG  13           1HB      ARG  13   7.606  -4.619   4.697
  141    HG2  ARG  13           2HG      ARG  13   9.309  -5.260   6.427
  142    HG3  ARG  13           1HG      ARG  13   7.982  -5.647   7.524
  143    HD2  ARG  13           2HD      ARG  13   7.099  -7.225   5.760
  144    HD3  ARG  13           1HD      ARG  13   8.593  -6.953   4.861
  145    HE   ARG  13           HE       ARG  13   8.323  -8.533   7.314
  146   HH11  ARG  13          1HH2      ARG  13  10.353  -6.719   5.200
  147   HH12  ARG  13          2HH2      ARG  13  11.808  -7.519   5.695
  148   HH21  ARG  13          1HH1      ARG  13  10.211  -9.588   7.972
  149   HH22  ARG  13          2HH1      ARG  13  11.727  -9.142   7.265
  150    H    CYS  14           H        CYS  14   7.415  -0.623   6.537
  151    HA   CYS  14           HA       CYS  14   6.405  -0.044   3.914
  152    HB2  CYS  14           2HB      CYS  14   4.444  -1.214   5.260
  153    HB3  CYS  14           1HB      CYS  14   4.262   0.400   5.946
  154    H    LEU  15           H        LEU  15   6.040   1.106   7.285
  155    HA   LEU  15           HA       LEU  15   5.992   3.870   6.675
  156    HB2  LEU  15           2HB      LEU  15   5.507   2.897   8.925
  157    HB3  LEU  15           1HB      LEU  15   7.227   2.573   9.121
  158    HG   LEU  15           HG       LEU  15   7.544   5.108   8.634
  159   HD11  LEU  15          1HD1      LEU  15   5.545   6.432   9.453
  160   HD12  LEU  15          2HD1      LEU  15   4.594   4.957   9.301
  161   HD13  LEU  15          3HD1      LEU  15   5.334   5.681   7.873
  162   HD21  LEU  15          3HD2      LEU  15   6.197   4.173  11.184
  163   HD22  LEU  15          1HD2      LEU  15   7.179   5.629  11.015
  164   HD23  LEU  15          2HD2      LEU  15   7.919   4.039  10.824
  165    H    GLN  16           H        GLN  16   8.744   1.681   7.124
  166    HA   GLN  16           HA       GLN  16  10.804   3.626   7.173
  167    HB2  GLN  16           2HB      GLN  16  10.821   0.827   6.007
  168    HB3  GLN  16           1HB      GLN  16  12.265   1.798   6.302
  169    HG2  GLN  16           2HG      GLN  16  11.714   1.915   8.695
  170    HG3  GLN  16           1HG      GLN  16  10.253   0.969   8.413
  171   HE21  GLN  16          1HE2      GLN  16  12.308   0.027  10.174
  172   HE22  GLN  16          2HE2      GLN  16  13.022  -1.346   9.475
  173    H    CYS  17           H        CYS  17   9.042   2.214   4.448
  174    HA   CYS  17           HA       CYS  17  10.722   3.762   2.554
  175    HB2  CYS  17           2HB      CYS  17   8.554   1.697   2.138
  176    HB3  CYS  17           1HB      CYS  17   9.358   2.550   0.822
  177    H    HIS  18           H        HIS  18   7.299   3.451   3.518
  178    HA   HIS  18           HA       HIS  18   6.726   5.943   1.979
  179    HB2  HIS  18           2HB      HIS  18   4.945   3.734   3.041
  180    HB3  HIS  18           1HB      HIS  18   4.311   5.246   2.377
  181    HD1  HIS  18           1HD      HIS  18   5.119   5.760  -0.197
  182    HD2  HIS  18           2HD      HIS  18   5.553   1.845   1.155
  183    HE1  HIS  18           1HE      HIS  18   5.359   4.308  -2.269
  184    H    THR  19           H        THR  19   6.466   7.798   3.111
  185    HA   THR  19           HA       THR  19   6.281   7.666   6.055
  186    HB   THR  19           HB       THR  19   6.705  10.063   5.993
  187    HG1  THR  19           1HG      THR  19   5.616   9.804   3.571
  188   HG21  THR  19          3HG2      THR  19   8.669   9.729   4.029
  189   HG22  THR  19          1HG2      THR  19   8.383   8.104   4.654
  190   HG23  THR  19          2HG2      THR  19   8.844   9.404   5.753
  191    H    VAL  20           H        VAL  20   4.242   8.189   3.311
  192    HA   VAL  20           HA       VAL  20   2.021   8.987   3.139
  193    HB   VAL  20           HB       VAL  20   1.718   7.548   5.782
  194   HG11  VAL  20          1HG1      VAL  20  -0.162   8.846   4.419
  195   HG12  VAL  20          2HG1      VAL  20  -0.506   7.295   5.185
  196   HG13  VAL  20          3HG1      VAL  20  -0.159   7.367   3.457
  197   HG21  VAL  20          3HG2      VAL  20   1.449   5.487   4.392
  198   HG22  VAL  20          1HG2      VAL  20   3.086   6.142   4.329
  199   HG23  VAL  20          2HG2      VAL  20   1.978   6.406   2.983
  200    H    GLU  21           H        GLU  21   3.012  11.211   3.714
  201    HA   GLU  21           HA       GLU  21   1.884  12.174   6.314
  202    HB2  GLU  21           2HB      GLU  21   4.145  13.314   4.647
  203    HB3  GLU  21           1HB      GLU  21   3.542  14.006   6.154
  204    HG2  GLU  21           2HG      GLU  21   4.705  11.219   5.866
  205    HG3  GLU  21           1HG      GLU  21   5.568  12.613   6.519
  206    H    LYS  22           H        LYS  22   0.827  14.270   6.259
  207    HA   LYS  22           HA       LYS  22  -0.898  14.650   4.018
  208    HB2  LYS  22           2HB      LYS  22  -1.627  16.674   5.132
  209    HB3  LYS  22           1HB      LYS  22  -1.338  15.447   6.367
  210    HG2  LYS  22           2HG      LYS  22   0.955  16.406   6.704
  211    HG3  LYS  22           1HG      LYS  22   0.533  17.702   5.585
  212    HD2  LYS  22           2HD      LYS  22  -1.473  18.175   7.083
  213    HD3  LYS  22           1HD      LYS  22  -0.735  17.090   8.260
  214    HE2  LYS  22           2HE      LYS  22   1.214  18.477   8.447
  215    HE3  LYS  22           1HE      LYS  22   0.725  19.454   7.064
  216    HZ1  LYS  22           3HZ      LYS  22  -0.165  19.569   9.811
  217    HZ2  LYS  22           1HZ      LYS  22  -1.411  19.669   8.665
  218    HZ3  LYS  22           2HZ      LYS  22  -0.130  20.786   8.627
  219    H    GLY  23           H        GLY  23   2.199  16.127   4.891
  220    HA2  GLY  23           2HA      GLY  23   2.473  17.072   2.110
  221    HA3  GLY  23           1HA      GLY  23   2.491  18.326   3.349
  222    H    GLY  24           H        GLY  24   3.774  15.229   4.209
  223    HA2  GLY  24           2HA      GLY  24   6.371  16.363   4.778
  224    HA3  GLY  24           1HA      GLY  24   5.958  14.652   4.881
  225    HA   PRO  25           HA       PRO  25   8.559  15.679   1.022
  226    HB2  PRO  25           2HB      PRO  25  10.930  14.609   1.851
  227    HB3  PRO  25           1HB      PRO  25  10.488  16.306   2.124
  228    HG2  PRO  25           2HG      PRO  25  10.348  13.991   3.995
  229    HG3  PRO  25           1HG      PRO  25  10.883  15.651   4.293
  230    HD2  PRO  25           2HD      PRO  25   8.408  14.769   5.015
  231    HD3  PRO  25           1HD      PRO  25   8.718  16.454   4.541
  232    H    HIS  26           H        HIS  26  10.044  13.872  -0.110
  233    HA   HIS  26           HA       HIS  26   8.551  11.305   0.186
  234    HB2  HIS  26           2HB      HIS  26  10.119  12.457  -2.141
  235    HB3  HIS  26           1HB      HIS  26   9.393  10.850  -2.134
  236    HD1  HIS  26           1HD      HIS  26   6.801  10.702  -2.233
  237    HD2  HIS  26           2HD      HIS  26   8.263  14.604  -2.389
  238    HE1  HIS  26           1HE      HIS  26   4.870  12.160  -2.978
  239    HE2  HIS  26           2HE      HIS  26   5.742  14.540  -3.060
  240    H    LYS  27           H        LYS  27   9.684   9.442   0.683
  241    HA   LYS  27           HA       LYS  27  12.619   9.777   1.137
  242    HB2  LYS  27           2HB      LYS  27  11.006   9.079   3.034
  243    HB3  LYS  27           1HB      LYS  27  10.921   7.523   2.209
  244    HG2  LYS  27           2HG      LYS  27  13.400   7.350   2.325
  245    HG3  LYS  27           1HG      LYS  27  13.444   8.872   3.213
  246    HD2  LYS  27           2HD      LYS  27  11.955   7.837   4.946
  247    HD3  LYS  27           1HD      LYS  27  12.108   6.301   4.093
  248    HE2  LYS  27           2HE      LYS  27  14.529   7.863   4.994
  249    HE3  LYS  27           1HE      LYS  27  13.726   6.699   6.051
  250    HZ1  LYS  27           3HZ      LYS  27  14.053   5.502   3.554
  251    HZ2  LYS  27           1HZ      LYS  27  14.806   5.087   5.017
  252    HZ3  LYS  27           2HZ      LYS  27  15.544   6.204   3.971
  253    H    VAL  28           H        VAL  28  12.192   6.585   1.298
  254    HA   VAL  28           HA       VAL  28  13.497   6.031  -1.186
  255    HB   VAL  28           HB       VAL  28  11.970   4.211   0.698
  256   HG11  VAL  28          1HG1      VAL  28  13.308   2.406  -0.464
  257   HG12  VAL  28          2HG1      VAL  28  13.729   3.601  -1.690
  258   HG13  VAL  28          3HG1      VAL  28  12.045   3.134  -1.457
  259   HG21  VAL  28          3HG2      VAL  28  14.387   3.526   1.232
  260   HG22  VAL  28          1HG2      VAL  28  13.881   5.115   1.807
  261   HG23  VAL  28          2HG2      VAL  28  14.878   4.977   0.357
  262    H    GLY  29           H        GLY  29  10.093   5.838  -0.195
  263    HA2  GLY  29           2HA      GLY  29   9.382   5.478  -3.082
  264    HA3  GLY  29           1HA      GLY  29   8.481   4.687  -1.788
  265    HA   PRO  30           HA       PRO  30   6.876   9.075  -2.857
  266    HB2  PRO  30           2HB      PRO  30   4.482   8.242  -3.955
  267    HB3  PRO  30           1HB      PRO  30   5.934   8.628  -4.895
  268    HG2  PRO  30           2HG      PRO  30   4.872   5.979  -4.065
  269    HG3  PRO  30           1HG      PRO  30   5.634   6.469  -5.588
  270    HD2  PRO  30           2HD      PRO  30   6.984   5.075  -3.684
  271    HD3  PRO  30           1HD      PRO  30   7.789   6.261  -4.737
  272    H    ASN  31           H        ASN  31   5.249  10.112  -1.574
  273    HA   ASN  31           HA       ASN  31   4.376   8.564   0.752
  274    HB2  ASN  31           2HB      ASN  31   3.627  11.411   0.033
  275    HB3  ASN  31           1HB      ASN  31   3.607  10.669   1.632
  276   HD21  ASN  31          1HD2      ASN  31   6.191   9.296   1.392
  277   HD22  ASN  31          2HD2      ASN  31   7.389  10.498   1.400
  278    H    LEU  32           H        LEU  32   2.274   7.851   1.152
  279    HA   LEU  32           HA       LEU  32   0.376   8.077  -1.127
  280    HB2  LEU  32           2HB      LEU  32   0.458   6.249   1.287
  281    HB3  LEU  32           1HB      LEU  32  -0.882   6.283   0.142
  282    HG   LEU  32           HG       LEU  32   0.748   5.807  -1.700
  283   HD11  LEU  32          1HD1      LEU  32   2.613   5.812   0.654
  284   HD12  LEU  32          2HD1      LEU  32   2.844   6.502  -0.951
  285   HD13  LEU  32          3HD1      LEU  32   2.952   4.758  -0.718
  286   HD21  LEU  32          3HD2      LEU  32   0.141   3.984   0.572
  287   HD22  LEU  32          1HD2      LEU  32   1.359   3.426  -0.576
  288   HD23  LEU  32          2HD2      LEU  32  -0.264   3.826  -1.138
  289    H    HIS  33           H        HIS  33  -1.569   9.128  -0.935
  290    HA   HIS  33           HA       HIS  33  -2.772   9.767   1.625
  291    HB2  HIS  33           2HB      HIS  33  -0.932  11.454   1.550
  292    HB3  HIS  33           1HB      HIS  33  -1.586  12.062   0.030
  293    HD1  HIS  33           1HD      HIS  33  -2.910  11.375   3.555
  294    HD2  HIS  33           2HD      HIS  33  -3.379  14.114   0.442
  295    HE1  HIS  33           1HE      HIS  33  -4.544  13.128   4.379
  296    HE2  HIS  33           2HE      HIS  33  -4.837  14.798   2.494
  297    H    GLY  34           H        GLY  34  -4.724   9.042   0.802
  298    HA2  GLY  34           2HA      GLY  34  -6.819   9.504  -0.242
  299    HA3  GLY  34           1HA      GLY  34  -6.043  10.792  -1.169
  300    H    ILE  35           H        ILE  35  -4.152   8.031  -1.237
  301    HA   ILE  35           HA       ILE  35  -4.418   7.628  -4.035
  302    HB   ILE  35           HB       ILE  35  -2.511   6.880  -2.487
  303   HG12  ILE  35          2HG1      ILE  35  -3.527   4.712  -4.338
  304   HG13  ILE  35          1HG1      ILE  35  -2.872   6.232  -4.946
  305   HG21  ILE  35          1HG2      ILE  35  -4.233   4.409  -2.204
  306   HG22  ILE  35          2HG2      ILE  35  -4.149   5.651  -0.956
  307   HG23  ILE  35          3HG2      ILE  35  -2.697   4.756  -1.408
  308   HD11  ILE  35          3HD1      ILE  35  -1.447   4.167  -3.250
  309   HD12  ILE  35          1HD1      ILE  35  -0.800   5.779  -3.561
  310   HD13  ILE  35          2HD1      ILE  35  -1.054   4.657  -4.898
  311    H    PHE  36           H        PHE  36  -6.321   6.452  -1.378
  312    HA   PHE  36           HA       PHE  36  -7.419   4.123  -2.639
  313    HB2  PHE  36           2HB      PHE  36  -8.445   5.959  -0.466
  314    HB3  PHE  36           1HB      PHE  36  -9.316   4.520  -0.986
  315    HD1  PHE  36           1HD      PHE  36  -6.271   5.779   0.684
  316    HD2  PHE  36           2HD      PHE  36  -8.461   2.290  -0.545
  317    HE1  PHE  36           1HE      PHE  36  -4.834   4.362   2.128
  318    HE2  PHE  36           2HE      PHE  36  -7.021   0.879   0.894
  319    HZ   PHE  36           HZ       PHE  36  -5.209   1.913   2.228
  320    H    GLY  37           H        GLY  37  -9.017   3.942  -4.157
  321    HA2  GLY  37           2HA      GLY  37 -10.761   4.567  -5.607
  322    HA3  GLY  37           1HA      GLY  37 -11.023   5.985  -4.591
  323    H    ARG  38           H        ARG  38  -7.809   5.480  -5.735
  324    HA   ARG  38           HA       ARG  38  -8.240   7.410  -7.960
  325    HB2  ARG  38           2HB      ARG  38  -6.040   7.612  -5.884
  326    HB3  ARG  38           1HB      ARG  38  -6.270   8.692  -7.258
  327    HG2  ARG  38           2HG      ARG  38  -8.379   8.274  -5.126
  328    HG3  ARG  38           1HG      ARG  38  -7.169   9.551  -5.038
  329    HD2  ARG  38           2HD      ARG  38  -7.960  10.275  -7.357
  330    HD3  ARG  38           1HD      ARG  38  -9.327   9.186  -7.128
  331    HE   ARG  38           HE       ARG  38  -8.924  11.099  -4.943
  332   HH11  ARG  38          1HH2      ARG  38 -10.401  10.336  -7.964
  333   HH12  ARG  38          2HH2      ARG  38 -11.707  11.454  -7.759
  334   HH21  ARG  38          1HH1      ARG  38 -10.621  12.564  -4.658
  335   HH22  ARG  38          2HH1      ARG  38 -11.832  12.716  -5.886
  336    H    HIS  39           H        HIS  39  -6.348   7.459  -9.464
  337    HA   HIS  39           HA       HIS  39  -5.315   4.721  -9.829
  338    HB2  HIS  39           2HB      HIS  39  -5.167   7.196 -11.574
  339    HB3  HIS  39           1HB      HIS  39  -4.513   5.621 -12.024
  340    HD1  HIS  39           1HD      HIS  39  -7.743   7.465 -11.548
  341    HD2  HIS  39           2HD      HIS  39  -6.483   3.642 -12.641
  342    HE1  HIS  39           1HE      HIS  39  -9.782   6.273 -12.469
  343    HE2  HIS  39           2HE      HIS  39  -9.025   3.945 -13.136
  344    H    SER  40           H        SER  40  -2.982   4.429 -10.357
  345    HA   SER  40           HA       SER  40  -1.294   5.572  -8.355
  346    HB2  SER  40           2HB      SER  40  -0.893   3.375  -9.492
  347    HB3  SER  40           1HB      SER  40  -0.448   4.253 -10.951
  348    HG   SER  40           HG       SER  40   1.020   5.398  -9.301
  349    H    GLY  41           H        GLY  41   0.368   7.140  -8.546
  350    HA2  GLY  41           2HA      GLY  41   1.674   8.765  -9.772
  351    HA3  GLY  41           1HA      GLY  41   0.487   8.689 -11.071
  352    H    GLN  42           H        GLN  42  -1.497   8.781  -8.559
  353    HA   GLN  42           HA       GLN  42  -2.232  11.516  -8.899
  354    HB2  GLN  42           2HB      GLN  42  -3.749   9.727  -8.017
  355    HB3  GLN  42           1HB      GLN  42  -2.840   9.758  -6.505
  356    HG2  GLN  42           2HG      GLN  42  -3.345  12.213  -6.324
  357    HG3  GLN  42           1HG      GLN  42  -4.387  12.055  -7.738
  358   HE21  GLN  42          1HE2      GLN  42  -6.496  12.139  -6.924
  359   HE22  GLN  42          2HE2      GLN  42  -7.067  11.200  -5.631
  360    H    ALA  43           H        ALA  43  -0.197   9.918  -6.469
  361    HA   ALA  43           HA       ALA  43   0.116  12.161  -4.735
  362    HB1  ALA  43           1HB      ALA  43   2.385  10.995  -4.223
  363    HB2  ALA  43           2HB      ALA  43   1.815   9.742  -5.329
  364    HB3  ALA  43           3HB      ALA  43   0.898  10.112  -3.869
  365    H    GLU  44           H        GLU  44   1.636  11.319  -7.786
  366    HA   GLU  44           HA       GLU  44   3.229  12.466  -9.081
  367    HB2  GLU  44           2HB      GLU  44   1.892  14.805  -7.682
  368    HB3  GLU  44           1HB      GLU  44   2.915  14.931  -9.116
  369    HG2  GLU  44           2HG      GLU  44   1.351  13.428 -10.333
  370    HG3  GLU  44           1HG      GLU  44   0.307  13.395  -8.911
  371    H    GLY  45           H        GLY  45   5.025  14.306  -8.827
  372    HA2  GLY  45           2HA      GLY  45   6.833  15.189  -7.571
  373    HA3  GLY  45           1HA      GLY  45   6.065  14.580  -6.102
  374    H    TYR  46           H        TYR  46   8.360  13.899  -5.634
  375    HA   TYR  46           HA       TYR  46  10.145  12.342  -5.735
  376    HB2  TYR  46           2HB      TYR  46   8.237  11.286  -4.412
  377    HB3  TYR  46           1HB      TYR  46   7.826  10.399  -5.880
  378    HD1  TYR  46           1HD      TYR  46  10.912  11.237  -3.898
  379    HD2  TYR  46           2HD      TYR  46   8.714   8.249  -6.068
  380    HE1  TYR  46           1HE      TYR  46  12.667   9.566  -3.377
  381    HE2  TYR  46           2HE      TYR  46  10.474   6.579  -5.549
  382    HH   TYR  46           HH       TYR  46  13.269   7.003  -4.885
  383    H    SER  47           H        SER  47   9.083   9.621  -7.089
  384    HA   SER  47           HA       SER  47   9.264  10.344  -9.918
  385    HB2  SER  47           2HB      SER  47  11.648  10.366  -9.173
  386    HB3  SER  47           1HB      SER  47  11.472   8.692  -8.655
  387    HG   SER  47           HG       SER  47  11.747   9.760 -11.172
  388    H    TYR  48           H        TYR  48   8.556   8.634 -11.250
  389    HA   TYR  48           HA       TYR  48   7.612   6.202  -9.784
  390    HB2  TYR  48           2HB      TYR  48   6.425   7.724 -12.109
  391    HB3  TYR  48           1HB      TYR  48   5.948   6.066 -11.739
  392    HD1  TYR  48           2HD      TYR  48   6.017   9.545 -10.459
  393    HD2  TYR  48           1HD      TYR  48   4.606   5.536  -9.812
  394    HE1  TYR  48           2HE      TYR  48   4.489  10.367  -8.688
  395    HE2  TYR  48           1HE      TYR  48   3.080   6.361  -8.040
  396    HH   TYR  48           HH       TYR  48   2.345   8.120  -6.923
  397    H    THR  49           H        THR  49   8.186   4.214 -10.618
  398    HA   THR  49           HA       THR  49  10.330   4.184 -12.603
  399    HB   THR  49           HB       THR  49  10.469   1.812 -12.125
  400    HG1  THR  49           1HG      THR  49   7.855   2.196 -11.545
  401   HG21  THR  49          3HG2      THR  49   9.943   2.276  -9.397
  402   HG22  THR  49          1HG2      THR  49  10.411   3.841 -10.063
  403   HG23  THR  49          2HG2      THR  49  11.488   2.454 -10.226
  404    H    ASP  50           H        ASP  50  10.225   2.725 -14.511
  405    HA   ASP  50           HA       ASP  50   8.052   3.333 -16.221
  406    HB2  ASP  50           2HB      ASP  50  10.090   1.110 -16.357
  407    HB3  ASP  50           1HB      ASP  50   8.980   1.500 -17.669
  408    H    ALA  51           H        ALA  51   8.562   0.598 -14.052
  409    HA   ALA  51           HA       ALA  51   6.671  -1.219 -15.029
  410    HB1  ALA  51           1HB      ALA  51   8.239  -1.138 -12.825
  411    HB2  ALA  51           2HB      ALA  51   6.928  -2.299 -13.033
  412    HB3  ALA  51           3HB      ALA  51   6.666  -0.836 -12.088
  413    H    ASN  52           H        ASN  52   5.832   0.811 -12.195
  414    HA   ASN  52           HA       ASN  52   3.047   0.530 -12.495
  415    HB2  ASN  52           2HB      ASN  52   4.157   1.495 -10.485
  416    HB3  ASN  52           1HB      ASN  52   4.482   2.968 -11.402
  417   HD21  ASN  52          1HD2      ASN  52   1.805   0.953 -10.104
  418   HD22  ASN  52          2HD2      ASN  52   0.647   2.194 -10.146
  419    H    ILE  53           H        ILE  53   5.170   3.038 -13.915
  420    HA   ILE  53           HA       ILE  53   3.101   4.611 -15.056
  421    HB   ILE  53           HB       ILE  53   5.906   4.085 -16.075
  422   HG12  ILE  53          2HG1      ILE  53   4.812   6.368 -14.402
  423   HG13  ILE  53          1HG1      ILE  53   5.701   4.997 -13.739
  424   HG21  ILE  53          1HG2      ILE  53   4.641   5.046 -17.855
  425   HG22  ILE  53          2HG2      ILE  53   5.533   6.377 -17.118
  426   HG23  ILE  53          3HG2      ILE  53   3.821   6.158 -16.760
  427   HD11  ILE  53          3HD1      ILE  53   7.058   6.235 -16.022
  428   HD12  ILE  53          1HD1      ILE  53   7.693   5.824 -14.429
  429   HD13  ILE  53          2HD1      ILE  53   6.837   7.347 -14.671
  430    H    LYS  54           H        LYS  54   4.998   1.948 -16.512
  431    HA   LYS  54           HA       LYS  54   3.585   1.890 -18.988
  432    HB2  LYS  54           2HB      LYS  54   5.748   0.701 -18.537
  433    HB3  LYS  54           1HB      LYS  54   4.859  -0.460 -17.549
  434    HG2  LYS  54           2HG      LYS  54   3.443  -1.015 -19.514
  435    HG3  LYS  54           1HG      LYS  54   4.400   0.094 -20.496
  436    HD2  LYS  54           2HD      LYS  54   6.443  -1.240 -19.902
  437    HD3  LYS  54           1HD      LYS  54   5.391  -2.402 -19.092
  438    HE2  LYS  54           2HE      LYS  54   5.273  -3.425 -21.113
  439    HE3  LYS  54           1HE      LYS  54   4.165  -2.121 -21.545
  440    HZ1  LYS  54           3HZ      LYS  54   5.626  -1.409 -23.024
  441    HZ2  LYS  54           1HZ      LYS  54   6.686  -2.670 -22.619
  442    HZ3  LYS  54           2HZ      LYS  54   6.789  -1.181 -21.806
  443    H    LYS  55           H        LYS  55   2.997   0.311 -15.878
  444    HA   LYS  55           HA       LYS  55   0.341  -0.596 -16.923
  445    HB2  LYS  55           2HB      LYS  55   1.841  -2.470 -16.307
  446    HB3  LYS  55           1HB      LYS  55   2.015  -1.789 -14.689
  447    HG2  LYS  55           2HG      LYS  55  -0.419  -2.012 -14.331
  448    HG3  LYS  55           1HG      LYS  55  -0.588  -2.713 -15.943
  449    HD2  LYS  55           2HD      LYS  55   1.013  -4.522 -15.255
  450    HD3  LYS  55           1HD      LYS  55   0.982  -3.863 -13.619
  451    HE2  LYS  55           2HE      LYS  55  -1.468  -4.200 -13.535
  452    HE3  LYS  55           1HE      LYS  55  -1.423  -4.884 -15.160
  453    HZ1  LYS  55           3HZ      LYS  55   0.355  -6.432 -14.099
  454    HZ2  LYS  55           1HZ      LYS  55  -1.294  -6.756 -13.876
  455    HZ3  LYS  55           2HZ      LYS  55  -0.404  -5.999 -12.642
  456    H    ASN  56           H        ASN  56  -1.148   0.858 -16.179
  457    HA   ASN  56           HA       ASN  56  -0.736   2.040 -13.483
  458    HB2  ASN  56           2HB      ASN  56  -1.268   3.526 -15.460
  459    HB3  ASN  56           1HB      ASN  56  -2.859   2.763 -15.521
  460   HD21  ASN  56          1HD2      ASN  56  -0.700   4.287 -13.053
  461   HD22  ASN  56          2HD2      ASN  56  -1.955   5.074 -12.227
  462    H    VAL  57           H        VAL  57  -2.129   1.612 -11.806
  463    HA   VAL  57           HA       VAL  57  -4.427  -0.211 -12.376
  464    HB   VAL  57           HB       VAL  57  -2.522  -1.485 -11.446
  465   HG11  VAL  57          1HG1      VAL  57  -2.794  -0.017  -8.854
  466   HG12  VAL  57          2HG1      VAL  57  -1.843   0.739 -10.134
  467   HG13  VAL  57          3HG1      VAL  57  -1.394  -0.855  -9.528
  468   HG21  VAL  57          3HG2      VAL  57  -3.770  -2.617  -9.774
  469   HG22  VAL  57          1HG2      VAL  57  -4.998  -1.889 -10.810
  470   HG23  VAL  57          2HG2      VAL  57  -4.588  -1.139  -9.268
  471    H    LEU  58           H        LEU  58  -6.252   0.099 -11.048
  472    HA   LEU  58           HA       LEU  58  -6.472   2.747  -9.830
  473    HB2  LEU  58           2HB      LEU  58  -8.372   1.757 -11.062
  474    HB3  LEU  58           1HB      LEU  58  -8.432   0.428  -9.906
  475    HG   LEU  58           HG       LEU  58  -8.853   2.083  -8.083
  476   HD11  LEU  58          1HD1      LEU  58  -8.166   4.186  -8.604
  477   HD12  LEU  58          2HD1      LEU  58  -9.762   4.336  -9.340
  478   HD13  LEU  58          3HD1      LEU  58  -8.366   3.926 -10.337
  479   HD21  LEU  58          3HD2      LEU  58 -10.721   1.999 -10.461
  480   HD22  LEU  58          1HD2      LEU  58 -11.174   2.741  -8.926
  481   HD23  LEU  58          2HD2      LEU  58 -10.788   1.021  -8.993
  482    H    TRP  59           H        TRP  59  -6.246   3.190  -7.667
  483    HA   TRP  59           HA       TRP  59  -5.594   0.900  -5.908
  484    HB2  TRP  59           2HB      TRP  59  -5.216   3.885  -5.634
  485    HB3  TRP  59           1HB      TRP  59  -4.905   2.761  -4.310
  486    HD1  TRP  59           HD       TRP  59  -3.254   4.297  -7.196
  487    HE1  TRP  59           1HE      TRP  59  -1.061   3.067  -7.772
  488    HE3  TRP  59           3HE      TRP  59  -3.847   0.085  -4.385
  489    HZ2  TRP  59           2HZ      TRP  59   0.259   0.614  -7.127
  490    HZ3  TRP  59           3HZ      TRP  59  -2.110  -1.677  -4.378
  491    HH2  TRP  59           HH       TRP  59  -0.057  -1.419  -5.744
  492    H    ASP  60           H        ASP  60  -7.036   0.126  -4.541
  493    HA   ASP  60           HA       ASP  60  -9.029   1.858  -3.243
  494    HB2  ASP  60           2HB      ASP  60 -10.055   1.052  -5.431
  495    HB3  ASP  60           1HB      ASP  60  -9.929  -0.588  -4.793
  496    H    GLU  61           H        GLU  61 -10.218   0.498  -1.529
  497    HA   GLU  61           HA       GLU  61  -8.363  -0.892   0.081
  498    HB2  GLU  61           2HB      GLU  61 -11.383  -1.179   0.003
  499    HB3  GLU  61           1HB      GLU  61 -10.346  -1.738   1.318
  500    HG2  GLU  61           2HG      GLU  61  -9.541   0.587   1.646
  501    HG3  GLU  61           1HG      GLU  61 -10.635   1.130   0.372
  502    H    ASN  62           H        ASN  62 -10.663  -2.135  -2.322
  503    HA   ASN  62           HA       ASN  62 -10.099  -4.920  -1.821
  504    HB2  ASN  62           2HB      ASN  62 -12.141  -4.187  -2.983
  505    HB3  ASN  62           1HB      ASN  62 -11.165  -3.561  -4.313
  506   HD21  ASN  62          1HD2      ASN  62 -10.226  -5.085  -5.800
  507   HD22  ASN  62          2HD2      ASN  62 -10.617  -6.739  -5.772
  508    H    ASN  63           H        ASN  63  -8.936  -2.636  -4.310
  509    HA   ASN  63           HA       ASN  63  -7.235  -4.473  -5.652
  510    HB2  ASN  63           2HB      ASN  63  -7.939  -2.186  -6.458
  511    HB3  ASN  63           1HB      ASN  63  -6.734  -1.507  -5.361
  512   HD21  ASN  63          1HD2      ASN  63  -4.743  -1.159  -6.348
  513   HD22  ASN  63          2HD2      ASN  63  -4.131  -2.047  -7.658
  514    H    MET  64           H        MET  64  -6.563  -2.324  -2.891
  515    HA   MET  64           HA       MET  64  -3.761  -2.812  -2.777
  516    HB2  MET  64           2HB      MET  64  -5.745  -2.161  -0.583
  517    HB3  MET  64           1HB      MET  64  -4.000  -2.218  -0.330
  518    HG2  MET  64           2HG      MET  64  -3.747  -0.548  -2.193
  519    HG3  MET  64           1HG      MET  64  -5.502  -0.401  -2.229
  520    HE1  MET  64           3HE      MET  64  -4.424   1.775  -2.305
  521    HE2  MET  64           1HE      MET  64  -3.544   2.587  -1.000
  522    HE3  MET  64           2HE      MET  64  -5.301   2.689  -1.079
  523    H    SER  65           H        SER  65  -6.498  -4.654  -1.483
  524    HA   SER  65           HA       SER  65  -5.004  -6.473   0.118
  525    HB2  SER  65           2HB      SER  65  -7.507  -7.069  -1.485
  526    HB3  SER  65           1HB      SER  65  -6.920  -7.975  -0.094
  527    HG   SER  65           HG       SER  65  -7.576  -6.416   1.206
  528    H    GLU  66           H        GLU  66  -5.854  -6.577  -3.344
  529    HA   GLU  66           HA       GLU  66  -4.596  -9.121  -3.839
  530    HB2  GLU  66           2HB      GLU  66  -5.224  -6.804  -5.695
  531    HB3  GLU  66           1HB      GLU  66  -4.696  -8.397  -6.231
  532    HG2  GLU  66           2HG      GLU  66  -6.660  -9.411  -5.097
  533    HG3  GLU  66           1HG      GLU  66  -7.205  -7.797  -4.639
  534    H    HIS  67           H        HIS  67  -3.484  -5.779  -3.859
  535    HA   HIS  67           HA       HIS  67  -0.986  -6.114  -5.152
  536    HB2  HIS  67           2HB      HIS  67  -2.027  -3.934  -4.508
  537    HB3  HIS  67           1HB      HIS  67  -1.631  -4.275  -2.827
  538    HD1  HIS  67           1HD      HIS  67   0.289  -4.241  -6.138
  539    HD2  HIS  67           2HD      HIS  67   0.770  -3.108  -2.157
  540    HE1  HIS  67           1HE      HIS  67   2.584  -3.178  -5.963
  541    HE2  HIS  67           2HE      HIS  67   2.878  -2.477  -3.549
  542    H    LEU  68           H        LEU  68  -1.838  -6.443  -1.712
  543    HA   LEU  68           HA       LEU  68   0.818  -7.117  -0.848
  544    HB2  LEU  68           2HB      LEU  68  -1.852  -7.786   0.426
  545    HB3  LEU  68           1HB      LEU  68  -0.283  -7.829   1.227
  546    HG   LEU  68           HG       LEU  68  -1.576  -5.373   0.019
  547   HD11  LEU  68          1HD1      LEU  68  -1.191  -6.332   2.857
  548   HD12  LEU  68          2HD1      LEU  68  -2.698  -5.877   2.062
  549   HD13  LEU  68          3HD1      LEU  68  -1.507  -4.642   2.466
  550   HD21  LEU  68          3HD2      LEU  68   1.135  -5.972   1.094
  551   HD22  LEU  68          1HD2      LEU  68   0.429  -4.413   1.506
  552   HD23  LEU  68          2HD2      LEU  68   0.659  -4.857  -0.185
  553    H    THR  69           H        THR  69  -1.842  -9.008  -2.155
  554    HA   THR  69           HA       THR  69  -1.042 -11.584  -1.310
  555    HB   THR  69           HB       THR  69  -2.240 -10.902  -4.005
  556    HG1  THR  69           1HG      THR  69  -4.092 -10.641  -3.002
  557   HG21  THR  69          3HG2      THR  69  -3.346 -13.173  -3.543
  558   HG22  THR  69          1HG2      THR  69  -2.134 -13.376  -2.277
  559   HG23  THR  69          2HG2      THR  69  -1.633 -13.197  -3.959
  560    H    ASN  70           H        ASN  70   0.132  -9.654  -4.058
  561    HA   ASN  70           HA       ASN  70   2.600 -11.203  -4.107
  562    HB2  ASN  70           2HB      ASN  70   0.512 -11.553  -6.258
  563    HB3  ASN  70           1HB      ASN  70   2.225 -11.787  -6.604
  564   HD21  ASN  70          1HD2      ASN  70   3.359 -13.301  -4.876
  565   HD22  ASN  70          2HD2      ASN  70   2.474 -14.671  -4.408
  566    HA   PRO  71           HA       PRO  71   2.569  -6.660  -5.416
  567    HB2  PRO  71           2HB      PRO  71   5.116  -6.792  -3.924
  568    HB3  PRO  71           1HB      PRO  71   3.786  -5.628  -3.789
  569    HG2  PRO  71           2HG      PRO  71   4.326  -7.599  -1.976
  570    HG3  PRO  71           1HG      PRO  71   2.752  -6.818  -2.181
  571    HD2  PRO  71           2HD      PRO  71   3.560  -9.551  -2.874
  572    HD3  PRO  71           1HD      PRO  71   1.935  -8.866  -2.731
  573    H    ALA  72           H        ALA  72   4.956  -9.263  -5.559
  574    HA   ALA  72           HA       ALA  72   6.859  -7.974  -7.251
  575    HB1  ALA  72           1HB      ALA  72   7.865  -9.947  -6.839
  576    HB2  ALA  72           2HB      ALA  72   6.767 -10.697  -7.998
  577    HB3  ALA  72           3HB      ALA  72   6.344 -10.650  -6.286
  578    H    LYS  73           H        LYS  73   4.371 -10.360  -8.239
  579    HA   LYS  73           HA       LYS  73   4.603  -9.810 -11.029
  580    HB2  LYS  73           2HB      LYS  73   2.249 -10.874  -9.439
  581    HB3  LYS  73           1HB      LYS  73   2.367 -10.909 -11.198
  582    HG2  LYS  73           2HG      LYS  73   4.479 -12.227 -10.988
  583    HG3  LYS  73           1HG      LYS  73   4.237 -12.274  -9.241
  584    HD2  LYS  73           2HD      LYS  73   2.018 -13.360  -9.621
  585    HD3  LYS  73           1HD      LYS  73   2.377 -13.411 -11.347
  586    HE2  LYS  73           2HE      LYS  73   4.015 -14.729  -9.162
  587    HE3  LYS  73           1HE      LYS  73   2.943 -15.559 -10.289
  588    HZ1  LYS  73           3HZ      LYS  73   5.218 -13.875 -11.167
  589    HZ2  LYS  73           1HZ      LYS  73   4.305 -14.955 -12.102
  590    HZ3  LYS  73           2HZ      LYS  73   5.354 -15.548 -10.904
  591    H    TYR  74           H        TYR  74   2.802  -8.266  -8.459
  592    HA   TYR  74           HA       TYR  74   0.907  -6.800  -9.970
  593    HB2  TYR  74           2HB      TYR  74   1.102  -7.022  -7.440
  594    HB3  TYR  74           1HB      TYR  74   2.359  -5.793  -7.515
  595    HD1  TYR  74           1HD      TYR  74  -1.239  -6.476  -7.947
  596    HD2  TYR  74           2HD      TYR  74   1.827  -3.489  -8.070
  597    HE1  TYR  74           1HE      TYR  74  -2.966  -4.695  -7.913
  598    HE2  TYR  74           2HE      TYR  74   0.117  -1.710  -8.039
  599    HH   TYR  74           HH       TYR  74  -2.061  -1.295  -7.602
  600    H    ILE  75           H        ILE  75   4.226  -5.816  -8.973
  601    HA   ILE  75           HA       ILE  75   4.277  -4.015 -11.350
  602    HB   ILE  75           HB       ILE  75   5.515  -2.338  -9.844
  603   HG12  ILE  75          2HG1      ILE  75   3.998  -3.845  -7.699
  604   HG13  ILE  75          1HG1      ILE  75   5.735  -3.966  -7.945
  605   HG21  ILE  75          1HG2      ILE  75   2.622  -2.864 -10.084
  606   HG22  ILE  75          2HG2      ILE  75   3.539  -1.409 -10.458
  607   HG23  ILE  75          3HG2      ILE  75   3.080  -1.754  -8.793
  608   HD11  ILE  75          3HD1      ILE  75   6.144  -1.890  -7.097
  609   HD12  ILE  75          1HD1      ILE  75   4.608  -2.160  -6.275
  610   HD13  ILE  75          2HD1      ILE  75   4.657  -1.214  -7.762
  611    HA   PRO  76           HA       PRO  76   8.107  -6.624 -10.844
  612    HB2  PRO  76           2HB      PRO  76   7.871  -6.890 -13.759
  613    HB3  PRO  76           1HB      PRO  76   7.953  -8.155 -12.522
  614    HG2  PRO  76           2HG      PRO  76   5.710  -7.591 -13.924
  615    HG3  PRO  76           1HG      PRO  76   5.696  -8.250 -12.281
  616    HD2  PRO  76           2HD      PRO  76   5.166  -5.449 -13.189
  617    HD3  PRO  76           1HD      PRO  76   4.447  -6.352 -11.838
  618    H    GLY  77           H        GLY  77  10.177  -5.805 -11.120
  619    HA2  GLY  77           2HA      GLY  77  11.894  -4.630 -12.343
  620    HA3  GLY  77           1HA      GLY  77  10.638  -3.774 -13.228
  621    H    THR  78           H        THR  78   9.520  -3.577 -10.184
  622    HA   THR  78           HA       THR  78  10.657  -0.875  -9.856
  623    HB   THR  78           HB       THR  78   8.954  -0.587  -8.129
  624    HG1  THR  78           1HG      THR  78   9.047  -3.305  -8.191
  625   HG21  THR  78          3HG2      THR  78   8.418  -0.517 -10.632
  626   HG22  THR  78          1HG2      THR  78   7.051  -0.702  -9.537
  627   HG23  THR  78          2HG2      THR  78   7.684  -2.102 -10.406
  628    H    LYS  79           H        LYS  79  11.369  -0.180  -7.658
  629    HA   LYS  79           HA       LYS  79  13.283  -2.131  -6.573
  630    HB2  LYS  79           2HB      LYS  79  12.711   0.740  -5.771
  631    HB3  LYS  79           1HB      LYS  79  14.083  -0.227  -5.229
  632    HG2  LYS  79           2HG      LYS  79  14.768  -0.484  -7.634
  633    HG3  LYS  79           1HG      LYS  79  13.488   0.651  -8.068
  634    HD2  LYS  79           2HD      LYS  79  15.749   1.253  -6.138
  635    HD3  LYS  79           1HD      LYS  79  15.698   1.773  -7.821
  636    HE2  LYS  79           2HE      LYS  79  13.261   2.640  -6.957
  637    HE3  LYS  79           1HE      LYS  79  14.211   2.809  -5.481
  638    HZ1  LYS  79           3HZ      LYS  79  15.432   3.746  -7.957
  639    HZ2  LYS  79           1HZ      LYS  79  15.522   4.391  -6.391
  640    HZ3  LYS  79           2HZ      LYS  79  14.142   4.668  -7.343
  641    H    MET  80           H        MET  80  10.080  -1.629  -6.068
  642    HA   MET  80           HA       MET  80  10.070  -1.677  -3.141
  643    HB2  MET  80           2HB      MET  80   8.224  -0.595  -4.333
  644    HB3  MET  80           1HB      MET  80   7.842  -2.110  -5.153
  645    HG2  MET  80           2HG      MET  80   7.179  -3.160  -3.115
  646    HG3  MET  80           1HG      MET  80   7.871  -1.865  -2.139
  647    HE1  MET  80           3HE      MET  80   4.476  -3.195  -3.443
  648    HE2  MET  80           1HE      MET  80   3.840  -2.202  -2.124
  649    HE3  MET  80           2HE      MET  80   5.271  -3.193  -1.871
  650    H    ALA  81           H        ALA  81  10.201  -3.478  -1.913
  651    HA   ALA  81           HA       ALA  81   9.553  -6.108  -3.174
  652    HB1  ALA  81           1HB      ALA  81  11.454  -6.976  -1.621
  653    HB2  ALA  81           2HB      ALA  81  11.999  -5.299  -1.617
  654    HB3  ALA  81           3HB      ALA  81  11.902  -6.190  -3.136
  655    H    PHE  82           H        PHE  82   7.519  -6.001  -2.082
  656    HA   PHE  82           HA       PHE  82   7.635  -6.057   0.896
  657    HB2  PHE  82           2HB      PHE  82   6.058  -4.455  -0.137
  658    HB3  PHE  82           1HB      PHE  82   5.258  -5.783  -0.971
  659    HD1  PHE  82           1HD      PHE  82   5.879  -4.201   2.309
  660    HD2  PHE  82           2HD      PHE  82   3.833  -7.345   0.221
  661    HE1  PHE  82           1HE      PHE  82   4.447  -4.593   4.298
  662    HE2  PHE  82           2HE      PHE  82   2.404  -7.736   2.203
  663    HZ   PHE  82           HZ       PHE  82   2.705  -6.362   4.240
  664    H    GLY  83           H        GLY  83   7.272  -7.963   1.955
  665    HA2  GLY  83           2HA      GLY  83   7.132 -10.431   0.482
  666    HA3  GLY  83           1HA      GLY  83   6.959 -10.275   2.230
  667    H    GLY  84           H        GLY  84   5.364 -11.794   0.114
  668    HA2  GLY  84           2HA      GLY  84   2.746 -10.521   0.097
  669    HA3  GLY  84           1HA      GLY  84   3.096 -12.165  -0.439
  670    H    LEU  85           H        LEU  85   0.952 -11.073   1.402
  671    HA   LEU  85           HA       LEU  85   1.669 -12.455   3.938
  672    HB2  LEU  85           2HB      LEU  85  -0.820 -10.856   3.278
  673    HB3  LEU  85           1HB      LEU  85  -0.292 -11.380   4.878
  674    HG   LEU  85           HG       LEU  85   1.178  -9.450   3.061
  675   HD11  LEU  85          1HD1      LEU  85  -0.988  -8.829   4.468
  676   HD12  LEU  85          2HD1      LEU  85   0.393  -7.733   4.401
  677   HD13  LEU  85          3HD1      LEU  85   0.169  -8.787   5.799
  678   HD21  LEU  85          3HD2      LEU  85   1.864 -10.772   5.680
  679   HD22  LEU  85          1HD2      LEU  85   2.504  -9.171   5.302
  680   HD23  LEU  85          2HD2      LEU  85   2.881 -10.541   4.256
  681    H    LYS  86           H        LYS  86   0.757 -14.414   4.467
  682    HA   LYS  86           HA       LYS  86  -1.011 -15.656   2.440
  683    HB2  LYS  86           2HB      LYS  86   0.364 -16.839   4.871
  684    HB3  LYS  86           1HB      LYS  86  -0.547 -17.753   3.669
  685    HG2  LYS  86           2HG      LYS  86   1.025 -16.841   1.913
  686    HG3  LYS  86           1HG      LYS  86   2.002 -16.177   3.224
  687    HD2  LYS  86           2HD      LYS  86   1.275 -19.107   2.929
  688    HD3  LYS  86           1HD      LYS  86   2.823 -18.404   2.461
  689    HE2  LYS  86           2HE      LYS  86   2.799 -17.480   4.937
  690    HE3  LYS  86           1HE      LYS  86   1.684 -18.819   5.203
  691    HZ1  LYS  86           3HZ      LYS  86   3.676 -19.931   3.735
  692    HZ2  LYS  86           1HZ      LYS  86   3.506 -20.056   5.418
  693    HZ3  LYS  86           2HZ      LYS  86   4.516 -18.862   4.754
  694    H    LYS  87           H        LYS  87  -1.373 -13.931   5.299
  695    HA   LYS  87           HA       LYS  87  -3.894 -15.377   5.982
  696    HB2  LYS  87           2HB      LYS  87  -2.120 -15.083   7.778
  697    HB3  LYS  87           1HB      LYS  87  -2.443 -13.351   7.695
  698    HG2  LYS  87           2HG      LYS  87  -4.823 -13.774   8.216
  699    HG3  LYS  87           1HG      LYS  87  -4.486 -15.502   8.327
  700    HD2  LYS  87           2HD      LYS  87  -2.791 -14.970  10.120
  701    HD3  LYS  87           1HD      LYS  87  -3.375 -13.307  10.094
  702    HE2  LYS  87           2HE      LYS  87  -5.728 -14.680  10.299
  703    HE3  LYS  87           1HE      LYS  87  -4.642 -15.730  11.210
  704    HZ1  LYS  87           3HZ      LYS  87  -4.820 -12.804  11.645
  705    HZ2  LYS  87           1HZ      LYS  87  -4.033 -13.949  12.620
  706    HZ3  LYS  87           2HZ      LYS  87  -5.730 -13.934  12.529
  707    H    GLU  88           H        GLU  88  -5.697 -14.405   5.234
  708    HA   GLU  88           HA       GLU  88  -5.686 -11.754   4.107
  709    HB2  GLU  88           2HB      GLU  88  -7.979 -13.576   4.888
  710    HB3  GLU  88           1HB      GLU  88  -8.158 -12.088   3.956
  711    HG2  GLU  88           2HG      GLU  88  -6.614 -12.999   2.239
  712    HG3  GLU  88           1HG      GLU  88  -6.509 -14.505   3.154
  713    H    LYS  89           H        LYS  89  -6.624 -13.034   7.272
  714    HA   LYS  89           HA       LYS  89  -8.099 -10.810   8.223
  715    HB2  LYS  89           2HB      LYS  89  -7.789 -13.028   9.395
  716    HB3  LYS  89           1HB      LYS  89  -6.184 -12.480   9.872
  717    HG2  LYS  89           2HG      LYS  89  -7.204 -10.505  10.978
  718    HG3  LYS  89           1HG      LYS  89  -8.805 -11.114  10.554
  719    HD2  LYS  89           2HD      LYS  89  -8.272 -13.218  11.814
  720    HD3  LYS  89           1HD      LYS  89  -6.766 -12.466  12.345
  721    HE2  LYS  89           2HE      LYS  89  -7.890 -10.830  13.618
  722    HE3  LYS  89           1HE      LYS  89  -9.415 -11.091  12.772
  723    HZ1  LYS  89           3HZ      LYS  89  -8.184 -12.652  14.914
  724    HZ2  LYS  89           1HZ      LYS  89  -9.083 -13.495  13.750
  725    HZ3  LYS  89           2HZ      LYS  89  -9.817 -12.261  14.658
  726    H    ASP  90           H        ASP  90  -4.613 -11.469   8.733
  727    HA   ASP  90           HA       ASP  90  -4.048  -8.926   9.897
  728    HB2  ASP  90           2HB      ASP  90  -2.277 -10.871   8.394
  729    HB3  ASP  90           1HB      ASP  90  -1.673  -9.453   9.245
  730    H    ARG  91           H        ARG  91  -4.001 -10.059   6.541
  731    HA   ARG  91           HA       ARG  91  -2.805  -7.780   5.347
  732    HB2  ARG  91           2HB      ARG  91  -3.311  -9.952   4.192
  733    HB3  ARG  91           1HB      ARG  91  -5.016  -9.495   4.175
  734    HG2  ARG  91           2HG      ARG  91  -4.387  -7.410   2.936
  735    HG3  ARG  91           1HG      ARG  91  -2.732  -8.013   2.849
  736    HD2  ARG  91           2HD      ARG  91  -5.171  -9.430   1.739
  737    HD3  ARG  91           1HD      ARG  91  -3.979  -8.548   0.787
  738    HE   ARG  91           HE       ARG  91  -2.497 -10.421   2.226
  739   HH11  ARG  91          1HH2      ARG  91  -5.162 -10.401   0.042
  740   HH12  ARG  91          2HH2      ARG  91  -4.797 -11.956  -0.628
  741   HH21  ARG  91          1HH1      ARG  91  -2.005 -12.453   1.367
  742   HH22  ARG  91          2HH1      ARG  91  -3.009 -13.118   0.123
  743    H    ASN  92           H        ASN  92  -6.219  -8.431   6.145
  744    HA   ASN  92           HA       ASN  92  -7.304  -6.087   4.963
  745    HB2  ASN  92           2HB      ASN  92  -8.195  -7.736   7.337
  746    HB3  ASN  92           1HB      ASN  92  -9.145  -6.415   6.667
  747   HD21  ASN  92          1HD2      ASN  92 -10.355  -8.880   6.542
  748   HD22  ASN  92          2HD2      ASN  92 -10.318  -9.496   4.962
  749    H    ASP  93           H        ASP  93  -5.912  -6.626   8.193
  750    HA   ASP  93           HA       ASP  93  -6.632  -4.107   9.296
  751    HB2  ASP  93           2HB      ASP  93  -4.249  -5.891   9.866
  752    HB3  ASP  93           1HB      ASP  93  -4.750  -4.532  10.869
  753    H    LEU  94           H        LEU  94  -3.823  -5.096   7.348
  754    HA   LEU  94           HA       LEU  94  -2.314  -2.712   7.655
  755    HB2  LEU  94           2HB      LEU  94  -1.436  -4.774   6.592
  756    HB3  LEU  94           1HB      LEU  94  -2.487  -4.490   5.206
  757    HG   LEU  94           HG       LEU  94  -1.379  -2.315   4.810
  758   HD11  LEU  94          1HD1      LEU  94   0.919  -2.197   6.154
  759   HD12  LEU  94          2HD1      LEU  94  -0.013  -3.092   7.354
  760   HD13  LEU  94          3HD1      LEU  94  -0.564  -1.506   6.813
  761   HD21  LEU  94          3HD2      LEU  94  -0.303  -4.887   4.394
  762   HD22  LEU  94          1HD2      LEU  94   1.048  -3.890   4.929
  763   HD23  LEU  94          2HD2      LEU  94   0.105  -3.412   3.519
  764    H    ILE  95           H        ILE  95  -4.811  -3.521   5.216
  765    HA   ILE  95           HA       ILE  95  -4.597  -1.008   3.831
  766    HB   ILE  95           HB       ILE  95  -7.033  -2.789   4.051
  767   HG12  ILE  95          2HG1      ILE  95  -4.781  -2.861   2.016
  768   HG13  ILE  95          1HG1      ILE  95  -4.957  -4.010   3.344
  769   HG21  ILE  95          1HG2      ILE  95  -6.777  -0.303   2.901
  770   HG22  ILE  95          2HG2      ILE  95  -7.947  -1.523   2.396
  771   HG23  ILE  95          3HG2      ILE  95  -6.409  -1.370   1.545
  772   HD11  ILE  95          3HD1      ILE  95  -7.412  -4.251   2.337
  773   HD12  ILE  95          1HD1      ILE  95  -6.062  -5.174   1.678
  774   HD13  ILE  95          2HD1      ILE  95  -6.607  -3.705   0.868
  775    H    THR  96           H        THR  96  -6.621  -2.145   6.496
  776    HA   THR  96           HA       THR  96  -8.294   0.116   6.764
  777    HB   THR  96           HB       THR  96  -7.240  -1.604   9.023
  778    HG1  THR  96           1HG      THR  96  -8.672  -3.087   8.426
  779   HG21  THR  96          3HG2      THR  96  -8.663  -0.393  10.270
  780   HG22  THR  96          1HG2      THR  96  -9.992  -0.937   9.246
  781   HG23  THR  96          2HG2      THR  96  -9.127   0.551   8.854
  782    H    TYR  97           H        TYR  97  -5.038  -0.512   8.077
  783    HA   TYR  97           HA       TYR  97  -4.891   1.754   9.790
  784    HB2  TYR  97           2HB      TYR  97  -3.213  -0.098   9.726
  785    HB3  TYR  97           1HB      TYR  97  -2.628   0.528   8.185
  786    HD1  TYR  97           2HD      TYR  97  -3.069   1.348  11.785
  787    HD2  TYR  97           1HD      TYR  97  -1.187   2.425   8.079
  788    HE1  TYR  97           2HE      TYR  97  -1.637   2.977  12.988
  789    HE2  TYR  97           1HE      TYR  97   0.244   4.057   9.279
  790    HH   TYR  97           HH       TYR  97   0.984   4.070  12.173
  791    H    LEU  98           H        LEU  98  -3.792   1.438   6.386
  792    HA   LEU  98           HA       LEU  98  -3.170   4.238   6.124
  793    HB2  LEU  98           2HB      LEU  98  -3.845   2.149   4.029
  794    HB3  LEU  98           1HB      LEU  98  -3.236   3.763   3.662
  795    HG   LEU  98           HG       LEU  98  -1.802   1.689   5.352
  796   HD11  LEU  98          1HD1      LEU  98  -0.259   2.356   3.128
  797   HD12  LEU  98          2HD1      LEU  98  -1.896   2.229   2.482
  798   HD13  LEU  98          3HD1      LEU  98  -1.178   0.865   3.339
  799   HD21  LEU  98          3HD2      LEU  98   0.058   3.537   4.694
  800   HD22  LEU  98          1HD2      LEU  98  -0.901   3.640   6.171
  801   HD23  LEU  98          2HD2      LEU  98  -1.368   4.571   4.749
  802    H    LYS  99           H        LYS  99  -6.060   2.304   5.694
  803    HA   LYS  99           HA       LYS  99  -7.683   4.141   4.288
  804    HB2  LYS  99           2HB      LYS  99  -8.282   1.760   4.914
  805    HB3  LYS  99           1HB      LYS  99  -8.585   2.339   6.552
  806    HG2  LYS  99           2HG      LYS  99 -10.235   3.967   5.618
  807    HG3  LYS  99           1HG      LYS  99 -10.007   3.220   4.038
  808    HD2  LYS  99           2HD      LYS  99 -10.756   1.060   4.918
  809    HD3  LYS  99           1HD      LYS  99 -10.934   1.761   6.527
  810    HE2  LYS  99           2HE      LYS  99 -12.982   1.580   4.760
  811    HE3  LYS  99           1HE      LYS  99 -12.876   2.842   5.988
  812    HZ1  LYS  99           3HZ      LYS  99 -11.895   4.320   4.419
  813    HZ2  LYS  99           1HZ      LYS  99 -13.299   3.681   3.713
  814    HZ3  LYS  99           2HZ      LYS  99 -11.772   3.098   3.245
  815    H    LYS 100           H        LYS 100  -7.013   3.840   7.769
  816    HA   LYS 100           HA       LYS 100  -8.777   5.882   8.674
  817    HB2  LYS 100           2HB      LYS 100  -7.592   4.270  10.165
  818    HB3  LYS 100           1HB      LYS 100  -6.078   5.104   9.821
  819    HG2  LYS 100           2HG      LYS 100  -6.926   5.967  11.913
  820    HG3  LYS 100           1HG      LYS 100  -7.136   7.223  10.694
  821    HD2  LYS 100           2HD      LYS 100  -9.446   6.915  10.577
  822    HD3  LYS 100           1HD      LYS 100  -9.354   5.265  11.193
  823    HE2  LYS 100           2HE      LYS 100  -8.584   7.641  12.890
  824    HE3  LYS 100           1HE      LYS 100 -10.249   7.062  12.806
  825    HZ1  LYS 100           3HZ      LYS 100  -8.826   6.124  14.642
  826    HZ2  LYS 100           1HZ      LYS 100  -7.976   5.276  13.444
  827    HZ3  LYS 100           2HZ      LYS 100  -9.635   4.988  13.673
  828    H    ALA 101           H        ALA 101  -5.459   6.000   7.479
  829    HA   ALA 101           HA       ALA 101  -4.900   8.724   8.053
  830    HB1  ALA 101           1HB      ALA 101  -3.529   6.687   6.847
  831    HB2  ALA 101           2HB      ALA 101  -2.996   8.369   6.859
  832    HB3  ALA 101           3HB      ALA 101  -3.874   7.733   5.469
  833    H    THR 102           H        THR 102  -6.790   7.254   5.470
  834    HA   THR 102           HA       THR 102  -6.941   9.592   3.797
  835    HB   THR 102           HB       THR 102  -8.782   8.457   2.693
  836    HG1  THR 102           1HG      THR 102  -9.287   7.611   5.120
  837   HG21  THR 102          3HG2      THR 102  -6.636   6.567   3.686
  838   HG22  THR 102          1HG2      THR 102  -6.616   7.515   2.199
  839   HG23  THR 102          2HG2      THR 102  -7.754   6.178   2.378
  840    H    GLU 103           H        GLU 103  -8.547   8.647   6.736
  841    HA   GLU 103           HA       GLU 103 -10.812  10.442   6.442
  842    HB2  GLU 103           2HB      GLU 103 -10.801   8.445   7.956
  843    HB3  GLU 103           1HB      GLU 103  -9.634   9.281   8.983
  844    HG2  GLU 103           2HG      GLU 103 -11.264  11.149   9.255
  845    HG3  GLU 103           1HG      GLU 103 -12.438  10.224   8.318
  846    HHA  HEC 201           HA       HEC 104   4.999   3.071  -5.805
  847    HHB  HEC 201           HB       HEC 104   1.191   0.378  -1.541
  848    HHC  HEC 201           HC       HEC 104   6.226  -1.185   1.954
  849    HHD  HEC 201           HD       HEC 104  10.037   1.368  -2.402
  850   HMA1  HEC 201          1HMA      HEC 104   0.131   2.116  -2.606
  851   HMA2  HEC 201          2HMA      HEC 104  -0.113   1.065  -4.002
  852   HMA3  HEC 201          3HMA      HEC 104   0.108   2.801  -4.232
  853   HAA1  HEC 201          1HAA      HEC 104   2.804   1.950  -6.783
  854   HAA2  HEC 201          2HAA      HEC 104   1.222   2.442  -6.200
  855   HBA1  HEC 201          1HBA      HEC 104   3.126   4.090  -7.393
  856   HBA2  HEC 201          2HBA      HEC 104   3.227   4.485  -5.679
  857   HMB1  HEC 201          1HMB      HEC 104   0.509  -0.815   1.083
  858   HMB2  HEC 201          2HMB      HEC 104   0.862  -1.575  -0.464
  859   HMB3  HEC 201          3HMB      HEC 104   1.318  -2.379   1.026
  860    HAB  HEC 201           HAB      HEC 104   4.447  -1.851   3.067
  861   HBB1  HEC 201          1HBB      HEC 104   2.264  -2.918   2.942
  862   HBB2  HEC 201          2HBB      HEC 104   1.465  -1.347   3.045
  863   HBB3  HEC 201          3HBB      HEC 104   2.379  -1.960   4.412
  864   HMC1  HEC 201          1HMC      HEC 104   8.682  -2.524   1.404
  865   HMC2  HEC 201          2HMC      HEC 104   8.478  -1.361   2.715
  866   HMC3  HEC 201          3HMC      HEC 104  10.033  -1.501   1.895
  867    HAC  HEC 201           HAC      HEC 104  11.065   1.317  -0.450
  868   HBC1  HEC 201          1HBC      HEC 104  11.192  -1.543  -0.368
  869   HBC2  HEC 201          2HBC      HEC 104  12.470  -0.404  -0.793
  870   HBC3  HEC 201          3HBC      HEC 104  12.253  -0.899   0.886
  871   HMD1  HEC 201          1HMD      HEC 104  10.653   3.127  -4.620
  872   HMD2  HEC 201          2HMD      HEC 104  10.017   2.357  -6.074
  873   HMD3  HEC 201          3HMD      HEC 104  10.485   1.371  -4.686
  874   HAD1  HEC 201          1HAD      HEC 104   8.569   4.323  -6.293
  875   HAD2  HEC 201          2HAD      HEC 104   6.856   4.610  -6.044
  876   HBD1  HEC 201          1HBD      HEC 104   8.208   3.121  -8.169
  877   HBD2  HEC 201          2HBD      HEC 104   6.880   2.220  -7.437
  Start of MODEL   15
    1    H1   THR  -5           1HT      THR  -5 -11.805 -11.527  -1.850
    2    H2   THR  -5           2HT      THR  -5 -13.378 -10.949  -1.575
    3    H3   THR  -5           3HT      THR  -5 -12.452 -11.548  -0.282
    4    HA   THR  -5           HA       THR  -5 -10.892  -9.735  -0.493
    5    HB   THR  -5           HB       THR  -5 -10.991  -8.166  -2.204
    6    HG1  THR  -5           1HG      THR  -5 -12.978  -7.379  -2.155
    7   HG21  THR  -5          1HG2      THR  -5 -11.167  -9.342  -4.276
    8   HG22  THR  -5          2HG2      THR  -5 -12.328 -10.488  -3.605
    9   HG23  THR  -5          3HG2      THR  -5 -10.644 -10.534  -3.085
   10    H    GLU  -4           H        GLU  -4 -13.627 -10.581   0.671
   11    HA   GLU  -4           HA       GLU  -4 -15.229  -8.288   1.134
   12    HB2  GLU  -4           2HB      GLU  -4 -14.678 -10.637   2.978
   13    HB3  GLU  -4           1HB      GLU  -4 -15.999  -9.482   3.174
   14    HG2  GLU  -4           2HG      GLU  -4 -15.575 -11.237   0.737
   15    HG3  GLU  -4           1HG      GLU  -4 -16.742 -11.555   2.020
   16    H    PHE  -3           H        PHE  -3 -15.157  -6.677   2.743
   17    HA   PHE  -3           HA       PHE  -3 -12.481  -6.300   3.976
   18    HB2  PHE  -3           2HB      PHE  -3 -13.474  -4.440   2.646
   19    HB3  PHE  -3           1HB      PHE  -3 -14.818  -4.375   3.787
   20    HD1  PHE  -3           1HD      PHE  -3 -11.193  -3.793   3.345
   21    HD2  PHE  -3           2HD      PHE  -3 -14.539  -3.474   6.020
   22    HE1  PHE  -3           1HE      PHE  -3  -9.854  -2.341   4.848
   23    HE2  PHE  -3           2HE      PHE  -3 -13.199  -2.024   7.521
   24    HZ   PHE  -3           HZ       PHE  -3 -10.859  -1.459   6.937
   25    H    LYS  -2           H        LYS  -2 -12.195  -6.609   6.132
   26    HA   LYS  -2           HA       LYS  -2 -14.522  -7.345   7.780
   27    HB2  LYS  -2           2HB      LYS  -2 -11.545  -7.284   8.361
   28    HB3  LYS  -2           1HB      LYS  -2 -12.772  -7.851   9.495
   29    HG2  LYS  -2           2HG      LYS  -2 -13.455  -9.607   7.952
   30    HG3  LYS  -2           1HG      LYS  -2 -12.349  -8.996   6.719
   31    HD2  LYS  -2           2HD      LYS  -2 -11.400 -10.943   7.939
   32    HD3  LYS  -2           1HD      LYS  -2 -10.429  -9.485   8.156
   33    HE2  LYS  -2           2HE      LYS  -2 -11.130  -9.183  10.356
   34    HE3  LYS  -2           1HE      LYS  -2 -12.613 -10.109  10.119
   35    HZ1  LYS  -2           3HZ      LYS  -2 -11.576 -12.036  10.530
   36    HZ2  LYS  -2           1HZ      LYS  -2 -10.410 -11.070  11.294
   37    HZ3  LYS  -2           2HZ      LYS  -2 -10.164 -11.589   9.695
   38    H    ALA  -1           H        ALA  -1 -14.459  -6.390  10.118
   39    HA   ALA  -1           HA       ALA  -1 -15.155  -3.729  10.173
   40    HB1  ALA  -1           1HB      ALA  -1 -14.574  -5.667  12.115
   41    HB2  ALA  -1           2HB      ALA  -1 -15.277  -4.075  12.400
   42    HB3  ALA  -1           3HB      ALA  -1 -13.531  -4.302  12.514
   43    H    GLY   1           H        GLY   1 -11.967  -5.012   9.753
   44    HA2  GLY   1           2HA      GLY   1 -10.027  -3.865   9.051
   45    HA3  GLY   1           1HA      GLY   1 -10.934  -2.356   9.145
   46    H    SER   2           H        SER   2  -9.200  -4.755  11.107
   47    HA   SER   2           HA       SER   2  -9.310  -3.165  13.531
   48    HB2  SER   2           2HB      SER   2  -7.837  -4.786  14.464
   49    HB3  SER   2           1HB      SER   2  -8.853  -5.689  13.344
   50    HG   SER   2           HG       SER   2  -7.081  -6.208  12.363
   51    H    ALA   3           H        ALA   3  -7.218  -2.300  14.526
   52    HA   ALA   3           HA       ALA   3  -5.412  -1.193  12.417
   53    HB1  ALA   3           1HB      ALA   3  -5.528   0.977  13.330
   54    HB2  ALA   3           2HB      ALA   3  -6.217   0.397  14.846
   55    HB3  ALA   3           3HB      ALA   3  -7.202   0.425  13.383
   56    H    LYS   4           H        LYS   4  -5.273  -3.404  14.539
   57    HA   LYS   4           HA       LYS   4  -3.104  -2.362  16.259
   58    HB2  LYS   4           2HB      LYS   4  -4.875  -3.871  17.192
   59    HB3  LYS   4           1HB      LYS   4  -4.279  -5.154  16.137
   60    HG2  LYS   4           2HG      LYS   4  -2.079  -5.054  17.201
   61    HG3  LYS   4           1HG      LYS   4  -2.603  -3.702  18.206
   62    HD2  LYS   4           2HD      LYS   4  -2.766  -5.717  19.534
   63    HD3  LYS   4           1HD      LYS   4  -4.402  -5.191  19.145
   64    HE2  LYS   4           2HE      LYS   4  -4.712  -6.893  17.561
   65    HE3  LYS   4           1HE      LYS   4  -2.980  -7.147  17.356
   66    HZ1  LYS   4           3HZ      LYS   4  -3.229  -8.814  18.787
   67    HZ2  LYS   4           1HZ      LYS   4  -4.778  -8.306  19.258
   68    HZ3  LYS   4           2HZ      LYS   4  -3.404  -7.634  19.997
   69    H    LYS   5           H        LYS   5  -3.413  -5.420  14.437
   70    HA   LYS   5           HA       LYS   5  -0.587  -5.730  14.113
   71    HB2  LYS   5           2HB      LYS   5  -2.882  -6.908  12.519
   72    HB3  LYS   5           1HB      LYS   5  -1.205  -7.448  12.414
   73    HG2  LYS   5           2HG      LYS   5  -1.246  -7.932  14.863
   74    HG3  LYS   5           1HG      LYS   5  -2.957  -7.503  14.887
   75    HD2  LYS   5           2HD      LYS   5  -3.379  -9.271  13.169
   76    HD3  LYS   5           1HD      LYS   5  -1.686  -9.748  13.295
   77    HE2  LYS   5           2HE      LYS   5  -3.652  -9.718  15.603
   78    HE3  LYS   5           1HE      LYS   5  -3.157 -11.160  14.717
   79    HZ1  LYS   5           3HZ      LYS   5  -0.899 -10.808  15.400
   80    HZ2  LYS   5           1HZ      LYS   5  -1.888 -10.815  16.777
   81    HZ3  LYS   5           2HZ      LYS   5  -1.303  -9.343  16.159
   82    H    GLY   6           H        GLY   6  -3.078  -4.491  11.870
   83    HA2  GLY   6           2HA      GLY   6  -1.346  -4.054   9.659
   84    HA3  GLY   6           1HA      GLY   6  -2.848  -3.177   9.942
   85    H    ALA   7           H        ALA   7  -2.123  -1.964  12.434
   86    HA   ALA   7           HA       ALA   7  -0.767   0.361  11.484
   87    HB1  ALA   7           1HB      ALA   7  -1.234  -0.604  14.318
   88    HB2  ALA   7           2HB      ALA   7  -2.276   0.477  13.395
   89    HB3  ALA   7           3HB      ALA   7  -0.671   1.012  13.893
   90    H    THR   8           H        THR   8   0.391  -2.242  13.647
   91    HA   THR   8           HA       THR   8   3.096  -1.186  13.684
   92    HB   THR   8           HB       THR   8   3.642  -3.231  14.888
   93    HG1  THR   8           1HG      THR   8   1.743  -4.234  13.384
   94   HG21  THR   8          3HG2      THR   8   2.501  -1.574  16.214
   95   HG22  THR   8          1HG2      THR   8   1.845  -3.151  16.655
   96   HG23  THR   8          2HG2      THR   8   0.934  -2.083  15.588
   97    H    LEU   9           H        LEU   9   1.375  -3.656  11.801
   98    HA   LEU   9           HA       LEU   9   3.623  -4.862  10.554
   99    HB2  LEU   9           2HB      LEU   9   1.226  -5.628  10.329
  100    HB3  LEU   9           1HB      LEU   9   0.955  -4.272   9.233
  101    HG   LEU   9           HG       LEU   9   3.093  -5.258   8.014
  102   HD11  LEU   9          1HD1      LEU   9   1.889  -7.693   9.362
  103   HD12  LEU   9          2HD1      LEU   9   3.462  -6.996   9.753
  104   HD13  LEU   9          3HD1      LEU   9   3.181  -7.702   8.162
  105   HD21  LEU   9          3HD2      LEU   9   0.779  -5.041   7.086
  106   HD22  LEU   9          1HD2      LEU   9   0.380  -6.602   7.807
  107   HD23  LEU   9          2HD2      LEU   9   1.602  -6.500   6.538
  108    H    PHE  10           H        PHE  10   1.801  -1.939   9.780
  109    HA   PHE  10           HA       PHE  10   3.171  -1.259   7.362
  110    HB2  PHE  10           2HB      PHE  10   1.034  -0.218   8.219
  111    HB3  PHE  10           1HB      PHE  10   1.994   0.629   9.427
  112    HD1  PHE  10           1HD      PHE  10   1.389   0.246   5.784
  113    HD2  PHE  10           2HD      PHE  10   3.316   2.540   8.862
  114    HE1  PHE  10           1HE      PHE  10   1.896   2.031   4.137
  115    HE2  PHE  10           2HE      PHE  10   3.819   4.320   7.213
  116    HZ   PHE  10           HZ       PHE  10   3.117   4.068   4.858
  117    H    LYS  11           H        LYS  11   3.697  -0.336  10.751
  118    HA   LYS  11           HA       LYS  11   6.001   1.296  10.323
  119    HB2  LYS  11           2HB      LYS  11   4.571   1.142  12.431
  120    HB3  LYS  11           1HB      LYS  11   5.420  -0.358  12.788
  121    HG2  LYS  11           2HG      LYS  11   7.584   0.850  12.696
  122    HG3  LYS  11           1HG      LYS  11   6.714   2.357  12.406
  123    HD2  LYS  11           2HD      LYS  11   5.485   1.993  14.564
  124    HD3  LYS  11           1HD      LYS  11   6.521   0.597  14.867
  125    HE2  LYS  11           2HE      LYS  11   8.232   2.745  14.153
  126    HE3  LYS  11           1HE      LYS  11   7.084   3.379  15.332
  127    HZ1  LYS  11           3HZ      LYS  11   8.906   2.455  16.513
  128    HZ2  LYS  11           1HZ      LYS  11   8.841   1.007  15.629
  129    HZ3  LYS  11           2HZ      LYS  11   7.593   1.395  16.716
  130    H    THR  12           H        THR  12   5.635  -2.167  10.969
  131    HA   THR  12           HA       THR  12   8.434  -2.701  11.299
  132    HB   THR  12           HB       THR  12   7.814  -5.047  11.096
  133    HG1  THR  12           1HG      THR  12   5.733  -5.586  10.411
  134   HG21  THR  12          3HG2      THR  12   5.431  -4.553  12.494
  135   HG22  THR  12          1HG2      THR  12   6.439  -3.136  12.787
  136   HG23  THR  12          2HG2      THR  12   7.042  -4.743  13.188
  137    H    ARG  13           H        ARG  13   6.356  -2.690   8.401
  138    HA   ARG  13           HA       ARG  13   8.820  -2.736   6.778
  139    HB2  ARG  13           2HB      ARG  13   6.667  -4.851   6.573
  140    HB3  ARG  13           1HB      ARG  13   7.894  -4.584   5.335
  141    HG2  ARG  13           2HG      ARG  13   9.650  -4.938   7.106
  142    HG3  ARG  13           1HG      ARG  13   8.358  -5.390   8.221
  143    HD2  ARG  13           2HD      ARG  13   7.647  -7.149   6.563
  144    HD3  ARG  13           1HD      ARG  13   9.101  -6.780   5.636
  145    HE   ARG  13           HE       ARG  13  10.358  -7.951   7.254
  146   HH11  ARG  13          1HH2      ARG  13   7.221  -7.101   8.404
  147   HH12  ARG  13          2HH2      ARG  13   7.370  -8.002   9.875
  148   HH21  ARG  13          1HH1      ARG  13  10.571  -9.134   9.169
  149   HH22  ARG  13          2HH1      ARG  13   9.266  -9.153  10.308
  150    H    CYS  14           H        CYS  14   7.466  -0.493   6.808
  151    HA   CYS  14           HA       CYS  14   6.485  -0.199   4.126
  152    HB2  CYS  14           2HB      CYS  14   4.539  -1.332   5.478
  153    HB3  CYS  14           1HB      CYS  14   4.305   0.290   6.128
  154    H    LEU  15           H        LEU  15   6.201   1.163   7.409
  155    HA   LEU  15           HA       LEU  15   5.975   3.883   6.630
  156    HB2  LEU  15           2HB      LEU  15   5.579   3.069   8.939
  157    HB3  LEU  15           1HB      LEU  15   7.303   2.751   9.111
  158    HG   LEU  15           HG       LEU  15   7.641   5.247   8.530
  159   HD11  LEU  15          1HD1      LEU  15   5.463   5.821   7.690
  160   HD12  LEU  15          2HD1      LEU  15   5.640   6.638   9.241
  161   HD13  LEU  15          3HD1      LEU  15   4.674   5.168   9.127
  162   HD21  LEU  15          3HD2      LEU  15   7.925   4.269  10.788
  163   HD22  LEU  15          1HD2      LEU  15   6.205   4.502  11.092
  164   HD23  LEU  15          2HD2      LEU  15   7.256   5.899  10.864
  165    H    GLN  16           H        GLN  16   8.831   1.838   7.103
  166    HA   GLN  16           HA       GLN  16  10.810   3.863   6.988
  167    HB2  GLN  16           2HB      GLN  16  10.908   1.008   5.971
  168    HB3  GLN  16           1HB      GLN  16  12.319   2.048   6.172
  169    HG2  GLN  16           2HG      GLN  16  11.838   2.271   8.570
  170    HG3  GLN  16           1HG      GLN  16  10.397   1.269   8.385
  171   HE21  GLN  16          1HE2      GLN  16  12.489   0.456  10.139
  172   HE22  GLN  16          2HE2      GLN  16  13.242  -0.919   9.489
  173    H    CYS  17           H        CYS  17   9.102   2.180   4.365
  174    HA   CYS  17           HA       CYS  17  10.655   3.709   2.358
  175    HB2  CYS  17           2HB      CYS  17   8.515   1.586   2.090
  176    HB3  CYS  17           1HB      CYS  17   9.281   2.392   0.722
  177    H    HIS  18           H        HIS  18   7.308   3.397   3.522
  178    HA   HIS  18           HA       HIS  18   6.587   5.769   1.862
  179    HB2  HIS  18           2HB      HIS  18   4.936   3.568   3.127
  180    HB3  HIS  18           1HB      HIS  18   4.213   5.031   2.443
  181    HD1  HIS  18           1HD      HIS  18   4.904   5.485  -0.179
  182    HD2  HIS  18           2HD      HIS  18   5.476   1.621   1.270
  183    HE1  HIS  18           1HE      HIS  18   5.107   3.977  -2.211
  184    H    THR  19           H        THR  19   6.083   7.668   2.850
  185    HA   THR  19           HA       THR  19   6.083   7.692   5.830
  186    HB   THR  19           HB       THR  19   6.725  10.006   5.675
  187    HG1  THR  19           1HG      THR  19   5.294  10.098   3.622
  188   HG21  THR  19          3HG2      THR  19   8.194   7.903   4.439
  189   HG22  THR  19          1HG2      THR  19   8.823   9.362   5.203
  190   HG23  THR  19          2HG2      THR  19   8.449   9.360   3.480
  191    H    VAL  20           H        VAL  20   3.941   7.706   3.274
  192    HA   VAL  20           HA       VAL  20   1.719   8.444   3.021
  193    HB   VAL  20           HB       VAL  20   1.566   8.238   6.026
  194   HG11  VAL  20          1HG1      VAL  20  -0.273   7.571   3.711
  195   HG12  VAL  20          2HG1      VAL  20  -0.503   8.821   4.934
  196   HG13  VAL  20          3HG1      VAL  20  -0.611   7.119   5.380
  197   HG21  VAL  20          3HG2      VAL  20   2.776   6.284   5.641
  198   HG22  VAL  20          1HG2      VAL  20   2.154   6.103   4.000
  199   HG23  VAL  20          2HG2      VAL  20   1.128   5.712   5.380
  200    H    GLU  21           H        GLU  21   3.909  10.492   3.936
  201    HA   GLU  21           HA       GLU  21   2.053  12.543   5.059
  202    HB2  GLU  21           2HB      GLU  21   4.235  12.115   6.235
  203    HB3  GLU  21           1HB      GLU  21   5.069  12.680   4.788
  204    HG2  GLU  21           2HG      GLU  21   3.858  14.847   4.966
  205    HG3  GLU  21           1HG      GLU  21   3.111  14.282   6.461
  206    H    LYS  22           H        LYS  22   1.532  14.346   3.850
  207    HA   LYS  22           HA       LYS  22   2.115  14.278   0.996
  208    HB2  LYS  22           2HB      LYS  22  -0.062  15.064   1.812
  209    HB3  LYS  22           1HB      LYS  22   0.724  16.372   2.696
  210    HG2  LYS  22           2HG      LYS  22   1.532  17.353   0.625
  211    HG3  LYS  22           1HG      LYS  22   0.904  15.994  -0.303
  212    HD2  LYS  22           2HD      LYS  22  -0.681  17.813  -0.496
  213    HD3  LYS  22           1HD      LYS  22  -1.398  16.579   0.541
  214    HE2  LYS  22           2HE      LYS  22  -1.032  17.830   2.499
  215    HE3  LYS  22           1HE      LYS  22   0.196  18.839   1.735
  216    HZ1  LYS  22           3HZ      LYS  22  -1.832  20.074   1.953
  217    HZ2  LYS  22           1HZ      LYS  22  -2.719  18.860   1.167
  218    HZ3  LYS  22           2HZ      LYS  22  -1.562  19.759   0.306
  219    H    GLY  23           H        GLY  23   2.254  17.300   2.772
  220    HA2  GLY  23           2HA      GLY  23   4.394  18.402   1.337
  221    HA3  GLY  23           1HA      GLY  23   3.970  18.897   2.976
  222    H    GLY  24           H        GLY  24   4.462  15.907   3.689
  223    HA2  GLY  24           2HA      GLY  24   6.862  16.074   5.015
  224    HA3  GLY  24           1HA      GLY  24   6.297  14.557   4.318
  225    HA   PRO  25           HA       PRO  25  10.273  16.288   2.257
  226    HB2  PRO  25           2HB      PRO  25  11.931  14.280   3.185
  227    HB3  PRO  25           1HB      PRO  25  11.747  15.862   3.964
  228    HG2  PRO  25           2HG      PRO  25  10.484  13.255   4.651
  229    HG3  PRO  25           1HG      PRO  25  11.132  14.510   5.718
  230    HD2  PRO  25           2HD      PRO  25   8.474  14.243   5.306
  231    HD3  PRO  25           1HD      PRO  25   9.223  15.838   5.547
  232    H    HIS  26           H        HIS  26   8.436  13.404   2.414
  233    HA   HIS  26           HA       HIS  26   8.076  11.690   0.870
  234    HB2  HIS  26           2HB      HIS  26   9.022  13.981  -0.737
  235    HB3  HIS  26           1HB      HIS  26   9.276  12.410  -1.494
  236    HD1  HIS  26           1HD      HIS  26   7.175  11.016  -2.107
  237    HD2  HIS  26           2HD      HIS  26   6.284  14.701  -0.370
  238    HE1  HIS  26           1HE      HIS  26   4.694  11.397  -2.463
  239    HE2  HIS  26           2HE      HIS  26   4.142  13.636  -1.407
  240    H    LYS  27           H        LYS  27   9.349  10.072   1.745
  241    HA   LYS  27           HA       LYS  27  12.239  10.051   1.475
  242    HB2  LYS  27           2HB      LYS  27  10.222   7.992   2.380
  243    HB3  LYS  27           1HB      LYS  27  11.950   7.655   2.316
  244    HG2  LYS  27           2HG      LYS  27  12.362   9.622   3.783
  245    HG3  LYS  27           1HG      LYS  27  10.621   9.866   3.906
  246    HD2  LYS  27           2HD      LYS  27  10.413   7.546   4.829
  247    HD3  LYS  27           1HD      LYS  27  12.173   7.425   4.814
  248    HE2  LYS  27           2HE      LYS  27  10.870   9.759   6.182
  249    HE3  LYS  27           1HE      LYS  27  10.946   8.201   7.007
  250    HZ1  LYS  27           3HZ      LYS  27  13.443   8.483   6.022
  251    HZ2  LYS  27           1HZ      LYS  27  12.976   8.855   7.609
  252    HZ3  LYS  27           2HZ      LYS  27  13.046  10.083   6.436
  253    H    VAL  28           H        VAL  28  12.873   7.485   0.689
  254    HA   VAL  28           HA       VAL  28  13.089   7.657  -2.091
  255    HB   VAL  28           HB       VAL  28  13.011   5.215  -0.303
  256   HG11  VAL  28          1HG1      VAL  28  13.430   5.505  -3.264
  257   HG12  VAL  28          2HG1      VAL  28  12.553   4.256  -2.380
  258   HG13  VAL  28          3HG1      VAL  28  14.316   4.263  -2.378
  259   HG21  VAL  28          3HG2      VAL  28  15.483   5.310  -0.721
  260   HG22  VAL  28          1HG2      VAL  28  14.869   6.724   0.137
  261   HG23  VAL  28          2HG2      VAL  28  15.237   6.829  -1.585
  262    H    GLY  29           H        GLY  29  10.577   5.907  -0.235
  263    HA2  GLY  29           2HA      GLY  29   9.153   5.278  -2.730
  264    HA3  GLY  29           1HA      GLY  29   8.644   4.813  -1.107
  265    HA   PRO  30           HA       PRO  30   6.640   8.926  -2.729
  266    HB2  PRO  30           2HB      PRO  30   4.264   7.877  -3.693
  267    HB3  PRO  30           1HB      PRO  30   5.658   8.307  -4.702
  268    HG2  PRO  30           2HG      PRO  30   4.777   5.648  -3.724
  269    HG3  PRO  30           1HG      PRO  30   5.518   6.101  -5.268
  270    HD2  PRO  30           2HD      PRO  30   6.922   4.885  -3.267
  271    HD3  PRO  30           1HD      PRO  30   7.670   6.012  -4.420
  272    H    ASN  31           H        ASN  31   5.040   9.964  -1.438
  273    HA   ASN  31           HA       ASN  31   4.242   8.461   0.956
  274    HB2  ASN  31           2HB      ASN  31   3.752  11.344   0.148
  275    HB3  ASN  31           1HB      ASN  31   3.370  10.654   1.725
  276   HD21  ASN  31          1HD2      ASN  31   6.134   9.083   0.700
  277   HD22  ASN  31          2HD2      ASN  31   7.299  10.076   1.431
  278    H    LEU  32           H        LEU  32   2.151   7.809   1.433
  279    HA   LEU  32           HA       LEU  32   0.203   7.973  -0.795
  280    HB2  LEU  32           2HB      LEU  32   0.136   6.391   1.795
  281    HB3  LEU  32           1HB      LEU  32  -1.065   6.288   0.509
  282    HG   LEU  32           HG       LEU  32   0.791   5.652  -1.074
  283   HD11  LEU  32          1HD1      LEU  32   2.831   6.258  -0.196
  284   HD12  LEU  32          2HD1      LEU  32   2.765   4.607   0.418
  285   HD13  LEU  32          3HD1      LEU  32   2.327   5.952   1.467
  286   HD21  LEU  32          3HD2      LEU  32   0.115   3.955   1.334
  287   HD22  LEU  32          1HD2      LEU  32   1.085   3.327   0.002
  288   HD23  LEU  32          2HD2      LEU  32  -0.568   3.868  -0.290
  289    H    HIS  33           H        HIS  33  -1.756   9.042  -0.614
  290    HA   HIS  33           HA       HIS  33  -2.900   9.937   1.860
  291    HB2  HIS  33           2HB      HIS  33  -2.464  12.347   1.663
  292    HB3  HIS  33           1HB      HIS  33  -0.941  11.470   1.805
  293    HD1  HIS  33           1HD      HIS  33   0.258  10.915  -0.595
  294    HD2  HIS  33           2HD      HIS  33  -2.614  13.941  -0.603
  295    HE1  HIS  33           1HE      HIS  33   0.622  12.246  -2.722
  296    HE2  HIS  33           2HE      HIS  33  -1.121  14.089  -2.735
  297    H    GLY  34           H        GLY  34  -4.764   9.105   0.799
  298    HA2  GLY  34           2HA      GLY  34  -6.835   9.738  -0.247
  299    HA3  GLY  34           1HA      GLY  34  -5.974  11.004  -1.126
  300    H    ILE  35           H        ILE  35  -4.142   8.227  -1.241
  301    HA   ILE  35           HA       ILE  35  -4.409   7.866  -4.040
  302    HB   ILE  35           HB       ILE  35  -2.521   7.047  -2.522
  303   HG12  ILE  35          2HG1      ILE  35  -3.601   4.878  -4.334
  304   HG13  ILE  35          1HG1      ILE  35  -2.957   6.388  -4.981
  305   HG21  ILE  35          1HG2      ILE  35  -4.328   4.641  -2.204
  306   HG22  ILE  35          2HG2      ILE  35  -4.164   5.881  -0.961
  307   HG23  ILE  35          3HG2      ILE  35  -2.764   4.923  -1.441
  308   HD11  ILE  35          3HD1      ILE  35  -1.281   5.014  -2.949
  309   HD12  ILE  35          1HD1      ILE  35  -0.800   5.872  -4.412
  310   HD13  ILE  35          2HD1      ILE  35  -1.411   4.221  -4.520
  311    H    PHE  36           H        PHE  36  -6.352   6.687  -1.410
  312    HA   PHE  36           HA       PHE  36  -7.508   4.413  -2.715
  313    HB2  PHE  36           2HB      PHE  36  -8.518   6.254  -0.534
  314    HB3  PHE  36           1HB      PHE  36  -9.404   4.831  -1.073
  315    HD1  PHE  36           1HD      PHE  36  -8.548   2.576  -0.675
  316    HD2  PHE  36           2HD      PHE  36  -6.407   6.042   0.693
  317    HE1  PHE  36           1HE      PHE  36  -7.154   1.138   0.788
  318    HE2  PHE  36           2HE      PHE  36  -5.014   4.600   2.156
  319    HZ   PHE  36           HZ       PHE  36  -5.390   2.149   2.201
  320    H    GLY  37           H        GLY  37  -9.110   4.298  -4.240
  321    HA2  GLY  37           2HA      GLY  37 -10.846   4.993  -5.671
  322    HA3  GLY  37           1HA      GLY  37 -11.041   6.421  -4.654
  323    H    ARG  38           H        ARG  38  -7.905   5.655  -5.999
  324    HA   ARG  38           HA       ARG  38  -8.310   7.586  -8.201
  325    HB2  ARG  38           2HB      ARG  38  -6.305   7.962  -5.966
  326    HB3  ARG  38           1HB      ARG  38  -6.238   8.840  -7.496
  327    HG2  ARG  38           2HG      ARG  38  -8.559   9.659  -7.084
  328    HG3  ARG  38           1HG      ARG  38  -8.531   8.863  -5.512
  329    HD2  ARG  38           2HD      ARG  38  -6.542  10.225  -4.892
  330    HD3  ARG  38           1HD      ARG  38  -6.662  11.064  -6.437
  331    HE   ARG  38           HE       ARG  38  -8.391  12.351  -5.500
  332   HH11  ARG  38          1HH2      ARG  38  -8.008   9.352  -3.843
  333   HH12  ARG  38          2HH2      ARG  38  -9.196   9.718  -2.636
  334   HH21  ARG  38          1HH1      ARG  38  -9.942  12.843  -3.936
  335   HH22  ARG  38          2HH1      ARG  38 -10.290  11.692  -2.690
  336    H    HIS  39           H        HIS  39  -6.256   7.712  -9.578
  337    HA   HIS  39           HA       HIS  39  -5.208   4.953  -9.865
  338    HB2  HIS  39           2HB      HIS  39  -5.153   7.330 -11.744
  339    HB3  HIS  39           1HB      HIS  39  -4.475   5.747 -12.117
  340    HD1  HIS  39           1HD      HIS  39  -7.731   7.554 -11.695
  341    HD2  HIS  39           2HD      HIS  39  -6.417   3.695 -12.581
  342    HE1  HIS  39           1HE      HIS  39  -9.761   6.275 -12.514
  343    HE2  HIS  39           2HE      HIS  39  -8.970   3.925 -13.056
  344    H    SER  40           H        SER  40  -2.913   4.638 -10.299
  345    HA   SER  40           HA       SER  40  -1.198   5.979  -8.461
  346    HB2  SER  40           2HB      SER  40  -0.197   4.578 -10.933
  347    HB3  SER  40           1HB      SER  40   0.543   4.649  -9.338
  348    HG   SER  40           HG       SER  40  -1.773   3.240 -10.164
  349    H    GLY  41           H        GLY  41   0.780   7.235  -9.084
  350    HA2  GLY  41           2HA      GLY  41   1.937   8.714 -10.617
  351    HA3  GLY  41           1HA      GLY  41   0.470   8.798 -11.588
  352    H    GLN  42           H        GLN  42  -0.714   9.046  -8.590
  353    HA   GLN  42           HA       GLN  42  -1.306  11.830  -8.791
  354    HB2  GLN  42           2HB      GLN  42  -2.612  10.132  -7.463
  355    HB3  GLN  42           1HB      GLN  42  -1.326  10.175  -6.255
  356    HG2  GLN  42           2HG      GLN  42  -1.655  12.656  -6.077
  357    HG3  GLN  42           1HG      GLN  42  -3.048  12.502  -7.149
  358   HE21  GLN  42          1HE2      GLN  42  -5.015  11.715  -6.252
  359   HE22  GLN  42          2HE2      GLN  42  -5.186  11.286  -4.619
  360    H    ALA  43           H        ALA  43   1.209  10.093  -6.965
  361    HA   ALA  43           HA       ALA  43   2.147  12.440  -5.569
  362    HB1  ALA  43           1HB      ALA  43   3.928  10.114  -6.232
  363    HB2  ALA  43           2HB      ALA  43   2.609   9.917  -5.077
  364    HB3  ALA  43           3HB      ALA  43   3.884  11.095  -4.769
  365    H    GLU  44           H        GLU  44   2.139  13.891  -7.473
  366    HA   GLU  44           HA       GLU  44   3.920  13.552  -9.684
  367    HB2  GLU  44           2HB      GLU  44   2.848  16.082  -8.396
  368    HB3  GLU  44           1HB      GLU  44   3.666  16.022  -9.957
  369    HG2  GLU  44           2HG      GLU  44   1.932  14.444 -10.782
  370    HG3  GLU  44           1HG      GLU  44   1.094  14.589  -9.237
  371    H    GLY  45           H        GLY  45   4.366  14.837  -6.432
  372    HA2  GLY  45           2HA      GLY  45   6.856  16.137  -6.774
  373    HA3  GLY  45           1HA      GLY  45   6.327  15.384  -5.270
  374    H    TYR  46           H        TYR  46   6.103  12.698  -6.381
  375    HA   TYR  46           HA       TYR  46   9.019  12.102  -6.713
  376    HB2  TYR  46           2HB      TYR  46   7.926  11.265  -4.606
  377    HB3  TYR  46           1HB      TYR  46   6.867  10.275  -5.609
  378    HD1  TYR  46           1HD      TYR  46  10.411  10.898  -4.682
  379    HD2  TYR  46           2HD      TYR  46   7.639   8.241  -6.606
  380    HE1  TYR  46           1HE      TYR  46  12.174   9.161  -4.823
  381    HE2  TYR  46           2HE      TYR  46   9.404   6.503  -6.748
  382    HH   TYR  46           HH       TYR  46  11.668   6.169  -6.604
  383    H    SER  47           H        SER  47   9.627  10.941  -8.500
  384    HA   SER  47           HA       SER  47   7.709  10.558 -10.635
  385    HB2  SER  47           2HB      SER  47   9.571   9.802 -11.933
  386    HB3  SER  47           1HB      SER  47  10.188  11.086 -10.897
  387    HG   SER  47           HG       SER  47  10.760   8.401 -10.937
  388    H    TYR  48           H        TYR  48   7.364   8.434 -11.709
  389    HA   TYR  48           HA       TYR  48   7.226   6.221  -9.698
  390    HB2  TYR  48           2HB      TYR  48   5.408   6.953 -12.001
  391    HB3  TYR  48           1HB      TYR  48   5.351   5.373 -11.220
  392    HD1  TYR  48           2HD      TYR  48   5.006   9.033 -10.615
  393    HD2  TYR  48           1HD      TYR  48   4.312   5.073  -9.105
  394    HE1  TYR  48           2HE      TYR  48   3.602   9.970  -8.796
  395    HE2  TYR  48           1HE      TYR  48   2.910   6.008  -7.288
  396    HH   TYR  48           HH       TYR  48   1.874   7.847  -6.533
  397    H    THR  49           H        THR  49   7.823   4.121 -10.405
  398    HA   THR  49           HA       THR  49   9.817   4.069 -12.522
  399    HB   THR  49           HB       THR  49  10.097   1.726 -11.930
  400    HG1  THR  49           1HG      THR  49   7.774   2.068 -10.343
  401   HG21  THR  49          3HG2      THR  49  11.204   3.014 -10.329
  402   HG22  THR  49          1HG2      THR  49  10.150   2.019  -9.327
  403   HG23  THR  49          2HG2      THR  49   9.708   3.687  -9.687
  404    H    ASP  50           H        ASP  50   9.685   2.552 -14.376
  405    HA   ASP  50           HA       ASP  50   7.377   2.936 -15.956
  406    HB2  ASP  50           2HB      ASP  50   9.511   0.806 -16.113
  407    HB3  ASP  50           1HB      ASP  50   8.302   1.071 -17.365
  408    H    ALA  51           H        ALA  51   8.218   0.307 -13.753
  409    HA   ALA  51           HA       ALA  51   6.379  -1.657 -14.424
  410    HB1  ALA  51           1HB      ALA  51   6.661  -0.851 -11.542
  411    HB2  ALA  51           2HB      ALA  51   8.052  -1.488 -12.419
  412    HB3  ALA  51           3HB      ALA  51   6.598  -2.468 -12.244
  413    H    ASN  52           H        ASN  52   5.564   0.564 -11.744
  414    HA   ASN  52           HA       ASN  52   2.795   0.111 -11.822
  415    HB2  ASN  52           2HB      ASN  52   3.887   1.339  -9.996
  416    HB3  ASN  52           1HB      ASN  52   4.213   2.688 -11.087
  417   HD21  ASN  52          1HD2      ASN  52   1.447   0.779  -9.753
  418   HD22  ASN  52          2HD2      ASN  52   0.342   2.069  -9.817
  419    H    ILE  53           H        ILE  53   4.644   2.564 -13.662
  420    HA   ILE  53           HA       ILE  53   2.426   3.898 -14.799
  421    HB   ILE  53           HB       ILE  53   5.137   3.317 -16.026
  422   HG12  ILE  53          2HG1      ILE  53   4.137   5.761 -14.533
  423   HG13  ILE  53          1HG1      ILE  53   5.137   4.503 -13.806
  424   HG21  ILE  53          1HG2      ILE  53   4.621   5.380 -17.352
  425   HG22  ILE  53          2HG2      ILE  53   2.982   5.329 -16.706
  426   HG23  ILE  53          3HG2      ILE  53   3.567   4.018 -17.729
  427   HD11  ILE  53          3HD1      ILE  53   6.256   5.416 -16.332
  428   HD12  ILE  53          1HD1      ILE  53   7.011   5.344 -14.741
  429   HD13  ILE  53          2HD1      ILE  53   6.054   6.752 -15.199
  430    H    LYS  54           H        LYS  54   4.312   1.169 -16.159
  431    HA   LYS  54           HA       LYS  54   2.589   0.759 -18.405
  432    HB2  LYS  54           2HB      LYS  54   4.896  -0.200 -18.167
  433    HB3  LYS  54           1HB      LYS  54   4.261  -1.320 -16.960
  434    HG2  LYS  54           2HG      LYS  54   2.650  -2.186 -18.641
  435    HG3  LYS  54           1HG      LYS  54   3.355  -1.107 -19.847
  436    HD2  LYS  54           2HD      LYS  54   5.576  -2.202 -19.442
  437    HD3  LYS  54           1HD      LYS  54   4.764  -3.360 -18.388
  438    HE2  LYS  54           2HE      LYS  54   3.455  -4.228 -20.190
  439    HE3  LYS  54           1HE      LYS  54   3.905  -2.892 -21.251
  440    HZ1  LYS  54           3HZ      LYS  54   5.207  -5.338 -20.915
  441    HZ2  LYS  54           1HZ      LYS  54   6.240  -4.133 -20.318
  442    HZ3  LYS  54           2HZ      LYS  54   5.660  -4.037 -21.912
  443    H    LYS  55           H        LYS  55   2.576  -0.551 -15.114
  444    HA   LYS  55           HA       LYS  55   0.060  -2.016 -15.729
  445    HB2  LYS  55           2HB      LYS  55   1.906  -2.143 -13.327
  446    HB3  LYS  55           1HB      LYS  55   0.434  -3.098 -13.515
  447    HG2  LYS  55           2HG      LYS  55   1.374  -4.040 -15.633
  448    HG3  LYS  55           1HG      LYS  55   2.877  -3.177 -15.306
  449    HD2  LYS  55           2HD      LYS  55   3.059  -4.379 -13.132
  450    HD3  LYS  55           1HD      LYS  55   1.607  -5.293 -13.544
  451    HE2  LYS  55           2HE      LYS  55   4.168  -5.258 -15.172
  452    HE3  LYS  55           1HE      LYS  55   3.662  -6.562 -14.096
  453    HZ1  LYS  55           3HZ      LYS  55   3.094  -6.944 -16.454
  454    HZ2  LYS  55           1HZ      LYS  55   2.074  -5.590 -16.407
  455    HZ3  LYS  55           2HZ      LYS  55   1.736  -6.940 -15.433
  456    H    ASN  56           H        ASN  56   0.237   0.960 -15.367
  457    HA   ASN  56           HA       ASN  56  -0.561   1.930 -12.900
  458    HB2  ASN  56           2HB      ASN  56  -0.385   3.286 -15.014
  459    HB3  ASN  56           1HB      ASN  56  -1.953   2.641 -15.501
  460   HD21  ASN  56          1HD2      ASN  56  -1.202   3.356 -12.111
  461   HD22  ASN  56          2HD2      ASN  56  -2.258   4.677 -11.973
  462    H    VAL  57           H        VAL  57  -2.206   1.459 -11.528
  463    HA   VAL  57           HA       VAL  57  -4.666   0.195 -12.646
  464    HB   VAL  57           HB       VAL  57  -3.174  -1.558 -11.715
  465   HG11  VAL  57          1HG1      VAL  57  -2.680   0.412  -9.770
  466   HG12  VAL  57          2HG1      VAL  57  -2.068  -1.243  -9.777
  467   HG13  VAL  57          3HG1      VAL  57  -3.564  -0.859  -8.927
  468   HG21  VAL  57          3HG2      VAL  57  -5.767  -1.521 -11.510
  469   HG22  VAL  57          1HG2      VAL  57  -5.479  -1.167  -9.806
  470   HG23  VAL  57          2HG2      VAL  57  -4.876  -2.667 -10.509
  471    H    LEU  58           H        LEU  58  -6.566   0.523 -11.357
  472    HA   LEU  58           HA       LEU  58  -6.657   3.076  -9.997
  473    HB2  LEU  58           2HB      LEU  58  -8.604   2.208 -11.228
  474    HB3  LEU  58           1HB      LEU  58  -8.695   0.827 -10.137
  475    HG   LEU  58           HG       LEU  58  -9.057   2.412  -8.232
  476   HD11  LEU  58          1HD1      LEU  58  -8.385   4.535  -8.644
  477   HD12  LEU  58          2HD1      LEU  58  -9.949   4.721  -9.437
  478   HD13  LEU  58          3HD1      LEU  58  -8.518   4.334 -10.391
  479   HD21  LEU  58          3HD2      LEU  58 -11.306   3.340  -9.591
  480   HD22  LEU  58          1HD2      LEU  58 -11.175   1.808  -8.725
  481   HD23  LEU  58          2HD2      LEU  58 -10.863   1.870 -10.459
  482    H    TRP  59           H        TRP  59  -6.534   3.473  -7.797
  483    HA   TRP  59           HA       TRP  59  -5.862   1.135  -6.107
  484    HB2  TRP  59           2HB      TRP  59  -5.494   4.110  -5.715
  485    HB3  TRP  59           1HB      TRP  59  -5.126   2.915  -4.469
  486    HD1  TRP  59           HD       TRP  59  -3.509   4.699  -7.181
  487    HE1  TRP  59           1HE      TRP  59  -1.356   3.508  -7.946
  488    HE3  TRP  59           3HE      TRP  59  -4.158   0.174  -4.923
  489    HZ2  TRP  59           2HZ      TRP  59  -0.080   0.966  -7.645
  490    HZ3  TRP  59           3HZ      TRP  59  -2.465  -1.608  -5.177
  491    HH2  TRP  59           HH       TRP  59  -0.427  -1.222  -6.532
  492    H    ASP  60           H        ASP  60  -7.262   0.348  -4.707
  493    HA   ASP  60           HA       ASP  60  -9.286   2.051  -3.412
  494    HB2  ASP  60           2HB      ASP  60 -10.308   1.166  -5.569
  495    HB3  ASP  60           1HB      ASP  60 -10.119  -0.456  -4.901
  496    H    GLU  61           H        GLU  61 -10.356   0.752  -1.609
  497    HA   GLU  61           HA       GLU  61  -8.434  -0.589  -0.040
  498    HB2  GLU  61           2HB      GLU  61 -11.453  -0.888   0.013
  499    HB3  GLU  61           1HB      GLU  61 -10.362  -1.406   1.300
  500    HG2  GLU  61           2HG      GLU  61  -9.549   0.927   1.527
  501    HG3  GLU  61           1HG      GLU  61 -10.699   1.431   0.287
  502    H    ASN  62           H        ASN  62 -10.820  -1.917  -2.312
  503    HA   ASN  62           HA       ASN  62 -10.232  -4.683  -1.745
  504    HB2  ASN  62           2HB      ASN  62 -12.301  -3.988  -2.880
  505    HB3  ASN  62           1HB      ASN  62 -11.360  -3.398  -4.251
  506   HD21  ASN  62          1HD2      ASN  62 -10.430  -4.965  -5.706
  507   HD22  ASN  62          2HD2      ASN  62 -10.827  -6.615  -5.629
  508    H    ASN  63           H        ASN  63  -9.129  -2.472  -4.324
  509    HA   ASN  63           HA       ASN  63  -7.459  -4.342  -5.658
  510    HB2  ASN  63           2HB      ASN  63  -8.186  -2.065  -6.495
  511    HB3  ASN  63           1HB      ASN  63  -6.939  -1.372  -5.454
  512   HD21  ASN  63          1HD2      ASN  63  -4.976  -1.070  -6.510
  513   HD22  ASN  63          2HD2      ASN  63  -4.418  -1.992  -7.820
  514    H    MET  64           H        MET  64  -6.744  -2.146  -2.949
  515    HA   MET  64           HA       MET  64  -3.936  -2.599  -2.882
  516    HB2  MET  64           2HB      MET  64  -5.885  -1.966  -0.653
  517    HB3  MET  64           1HB      MET  64  -4.135  -2.000  -0.434
  518    HG2  MET  64           2HG      MET  64  -3.940  -0.331  -2.304
  519    HG3  MET  64           1HG      MET  64  -5.697  -0.210  -2.309
  520    HE1  MET  64           3HE      MET  64  -4.838   2.006  -2.392
  521    HE2  MET  64           1HE      MET  64  -3.642   2.674  -1.272
  522    HE3  MET  64           2HE      MET  64  -5.358   2.985  -1.021
  523    H    SER  65           H        SER  65  -6.617  -4.455  -1.481
  524    HA   SER  65           HA       SER  65  -5.056  -6.240   0.084
  525    HB2  SER  65           2HB      SER  65  -7.602  -6.871  -1.435
  526    HB3  SER  65           1HB      SER  65  -6.959  -7.774  -0.066
  527    HG   SER  65           HG       SER  65  -8.493  -6.335   0.686
  528    H    GLU  66           H        GLU  66  -5.975  -6.351  -3.351
  529    HA   GLU  66           HA       GLU  66  -4.741  -8.900  -3.880
  530    HB2  GLU  66           2HB      GLU  66  -5.406  -6.575  -5.712
  531    HB3  GLU  66           1HB      GLU  66  -4.906  -8.172  -6.263
  532    HG2  GLU  66           2HG      GLU  66  -7.331  -7.626  -4.532
  533    HG3  GLU  66           1HG      GLU  66  -7.377  -7.914  -6.270
  534    H    HIS  67           H        HIS  67  -3.592  -5.575  -3.875
  535    HA   HIS  67           HA       HIS  67  -1.177  -5.874  -5.303
  536    HB2  HIS  67           2HB      HIS  67  -2.168  -3.727  -4.459
  537    HB3  HIS  67           1HB      HIS  67  -1.600  -4.154  -2.848
  538    HD1  HIS  67           1HD      HIS  67  -0.027  -4.042  -6.334
  539    HD2  HIS  67           2HD      HIS  67   0.867  -2.992  -2.395
  540    HE1  HIS  67           1HE      HIS  67   2.273  -2.988  -6.371
  541    HE2  HIS  67           2HE      HIS  67   2.828  -2.349  -3.986
  542    H    LEU  68           H        LEU  68  -1.736  -6.273  -1.800
  543    HA   LEU  68           HA       LEU  68   0.983  -7.133  -1.313
  544    HB2  LEU  68           2HB      LEU  68  -1.543  -7.146   0.322
  545    HB3  LEU  68           1HB      LEU  68  -0.054  -7.876   0.921
  546    HG   LEU  68           HG       LEU  68   1.125  -5.715   0.478
  547   HD11  LEU  68          1HD1      LEU  68  -0.138  -4.633  -1.173
  548   HD12  LEU  68          2HD1      LEU  68  -0.561  -3.733   0.282
  549   HD13  LEU  68          3HD1      LEU  68  -1.664  -4.954  -0.353
  550   HD21  LEU  68          3HD2      LEU  68  -0.921  -4.650   2.194
  551   HD22  LEU  68          1HD2      LEU  68   0.677  -5.261   2.629
  552   HD23  LEU  68          2HD2      LEU  68  -0.697  -6.364   2.551
  553    H    THR  69           H        THR  69  -1.889  -8.752  -2.389
  554    HA   THR  69           HA       THR  69  -1.355 -11.372  -1.441
  555    HB   THR  69           HB       THR  69  -2.497 -10.668  -4.160
  556    HG1  THR  69           1HG      THR  69  -4.046 -11.180  -1.891
  557   HG21  THR  69          3HG2      THR  69  -2.518 -13.097  -2.382
  558   HG22  THR  69          1HG2      THR  69  -2.183 -12.991  -4.111
  559   HG23  THR  69          2HG2      THR  69  -3.836 -12.816  -3.521
  560    H    ASN  70           H        ASN  70  -0.008  -9.596  -4.196
  561    HA   ASN  70           HA       ASN  70   2.276 -11.436  -4.267
  562    HB2  ASN  70           2HB      ASN  70   1.870 -11.738  -6.825
  563    HB3  ASN  70           1HB      ASN  70   0.980 -12.764  -5.700
  564   HD21  ASN  70          1HD2      ASN  70   0.675 -10.048  -7.946
  565   HD22  ASN  70          2HD2      ASN  70  -1.022  -9.994  -7.931
  566    HA   PRO  71           HA       PRO  71   2.908  -6.918  -5.511
  567    HB2  PRO  71           2HB      PRO  71   5.053  -6.530  -3.818
  568    HB3  PRO  71           1HB      PRO  71   3.369  -6.162  -3.407
  569    HG2  PRO  71           2HG      PRO  71   5.024  -8.521  -2.680
  570    HG3  PRO  71           1HG      PRO  71   3.819  -7.645  -1.722
  571    HD2  PRO  71           2HD      PRO  71   3.274 -10.029  -2.892
  572    HD3  PRO  71           1HD      PRO  71   2.040  -8.778  -2.674
  573    H    ALA  72           H        ALA  72   4.917  -9.752  -5.350
  574    HA   ALA  72           HA       ALA  72   7.312  -8.713  -6.487
  575    HB1  ALA  72           1HB      ALA  72   6.104 -11.356  -6.074
  576    HB2  ALA  72           2HB      ALA  72   7.787 -10.850  -5.908
  577    HB3  ALA  72           3HB      ALA  72   7.145 -11.276  -7.494
  578    H    LYS  73           H        LYS  73   4.530 -10.275  -8.139
  579    HA   LYS  73           HA       LYS  73   5.630  -9.349 -10.725
  580    HB2  LYS  73           2HB      LYS  73   3.242 -11.096 -10.067
  581    HB3  LYS  73           1HB      LYS  73   3.777 -10.703 -11.701
  582    HG2  LYS  73           2HG      LYS  73   6.006 -11.695 -11.164
  583    HG3  LYS  73           1HG      LYS  73   5.374 -12.184  -9.592
  584    HD2  LYS  73           2HD      LYS  73   3.586 -13.480 -10.760
  585    HD3  LYS  73           1HD      LYS  73   4.341 -13.068 -12.301
  586    HE2  LYS  73           2HE      LYS  73   5.509 -14.724 -10.054
  587    HE3  LYS  73           1HE      LYS  73   5.179 -15.232 -11.710
  588    HZ1  LYS  73           3HZ      LYS  73   7.300 -14.709 -12.081
  589    HZ2  LYS  73           1HZ      LYS  73   7.442 -13.818 -10.645
  590    HZ3  LYS  73           2HZ      LYS  73   6.795 -13.088 -12.037
  591    H    TYR  74           H        TYR  74   3.589  -8.142  -8.363
  592    HA   TYR  74           HA       TYR  74   1.463  -7.019  -9.913
  593    HB2  TYR  74           2HB      TYR  74   1.630  -7.162  -7.376
  594    HB3  TYR  74           1HB      TYR  74   2.707  -5.768  -7.457
  595    HD1  TYR  74           1HD      TYR  74   1.862  -3.627  -8.512
  596    HD2  TYR  74           2HD      TYR  74  -0.727  -6.910  -7.552
  597    HE1  TYR  74           1HE      TYR  74  -0.090  -2.108  -8.611
  598    HE2  TYR  74           2HE      TYR  74  -2.686  -5.394  -7.655
  599    HH   TYR  74           HH       TYR  74  -2.332  -1.958  -7.823
  600    H    ILE  75           H        ILE  75   4.638  -5.667  -8.954
  601    HA   ILE  75           HA       ILE  75   4.403  -3.784 -11.258
  602    HB   ILE  75           HB       ILE  75   5.707  -2.174  -9.610
  603   HG12  ILE  75          2HG1      ILE  75   3.969  -3.740  -7.686
  604   HG13  ILE  75          1HG1      ILE  75   5.707  -3.977  -7.826
  605   HG21  ILE  75          1HG2      ILE  75   3.815  -1.074 -10.160
  606   HG22  ILE  75          2HG2      ILE  75   3.123  -1.737  -8.683
  607   HG23  ILE  75          3HG2      ILE  75   2.869  -2.559 -10.221
  608   HD11  ILE  75          3HD1      ILE  75   5.967  -2.288  -6.357
  609   HD12  ILE  75          1HD1      ILE  75   4.255  -1.880  -6.440
  610   HD13  ILE  75          2HD1      ILE  75   5.379  -1.198  -7.612
  611    HA   PRO  76           HA       PRO  76   8.449  -6.123 -11.093
  612    HB2  PRO  76           2HB      PRO  76   8.000  -6.203 -14.011
  613    HB3  PRO  76           1HB      PRO  76   8.364  -7.529 -12.892
  614    HG2  PRO  76           2HG      PRO  76   5.942  -7.194 -14.026
  615    HG3  PRO  76           1HG      PRO  76   6.168  -7.916 -12.425
  616    HD2  PRO  76           2HD      PRO  76   5.205  -5.175 -13.136
  617    HD3  PRO  76           1HD      PRO  76   4.753  -6.211 -11.762
  618    H    GLY  77           H        GLY  77  10.397  -5.034 -11.388
  619    HA2  GLY  77           2HA      GLY  77  11.910  -3.570 -12.546
  620    HA3  GLY  77           1HA      GLY  77  10.541  -2.894 -13.422
  621    H    THR  78           H        THR  78  10.038  -3.210 -10.036
  622    HA   THR  78           HA       THR  78  10.610  -0.289  -9.701
  623    HB   THR  78           HB       THR  78   8.162  -1.031  -9.672
  624    HG1  THR  78           1HG      THR  78   9.529   0.652  -8.148
  625   HG21  THR  78          3HG2      THR  78   9.082  -2.999  -7.994
  626   HG22  THR  78          1HG2      THR  78   7.401  -2.492  -8.120
  627   HG23  THR  78          2HG2      THR  78   8.424  -1.826  -6.855
  628    H    LYS  79           H        LYS  79  11.055   0.307  -7.364
  629    HA   LYS  79           HA       LYS  79  13.072  -1.553  -6.314
  630    HB2  LYS  79           2HB      LYS  79  12.214   1.195  -5.365
  631    HB3  LYS  79           1HB      LYS  79  13.623   0.304  -4.788
  632    HG2  LYS  79           2HG      LYS  79  14.507   0.256  -7.120
  633    HG3  LYS  79           1HG      LYS  79  13.141   1.251  -7.627
  634    HD2  LYS  79           2HD      LYS  79  15.157   2.042  -5.505
  635    HD3  LYS  79           1HD      LYS  79  15.180   2.608  -7.176
  636    HE2  LYS  79           2HE      LYS  79  13.907   4.318  -6.367
  637    HE3  LYS  79           1HE      LYS  79  12.593   3.149  -6.483
  638    HZ1  LYS  79           3HZ      LYS  79  14.175   3.905  -4.106
  639    HZ2  LYS  79           1HZ      LYS  79  13.306   2.448  -4.161
  640    HZ3  LYS  79           2HZ      LYS  79  12.489   3.931  -4.310
  641    H    MET  80           H        MET  80   9.835  -1.563  -5.895
  642    HA   MET  80           HA       MET  80   9.681  -1.641  -2.990
  643    HB2  MET  80           2HB      MET  80   7.729  -1.148  -4.540
  644    HB3  MET  80           1HB      MET  80   7.721  -2.861  -4.956
  645    HG2  MET  80           2HG      MET  80   6.927  -3.505  -2.891
  646    HG3  MET  80           1HG      MET  80   7.702  -2.164  -2.051
  647    HE1  MET  80           3HE      MET  80   4.486  -3.622  -3.280
  648    HE2  MET  80           1HE      MET  80   3.484  -2.479  -2.374
  649    HE3  MET  80           2HE      MET  80   4.824  -3.299  -1.581
  650    H    ALA  81           H        ALA  81  10.565  -3.256  -1.818
  651    HA   ALA  81           HA       ALA  81  10.745  -5.979  -3.044
  652    HB1  ALA  81           1HB      ALA  81  12.875  -4.728  -2.340
  653    HB2  ALA  81           2HB      ALA  81  12.680  -6.369  -1.725
  654    HB3  ALA  81           3HB      ALA  81  12.338  -4.989  -0.681
  655    H    PHE  82           H        PHE  82   8.397  -4.864  -1.645
  656    HA   PHE  82           HA       PHE  82   8.360  -6.185   0.980
  657    HB2  PHE  82           2HB      PHE  82   7.140  -4.062   0.610
  658    HB3  PHE  82           1HB      PHE  82   6.137  -4.860  -0.598
  659    HD1  PHE  82           2HD      PHE  82   7.071  -4.887   3.008
  660    HD2  PHE  82           1HD      PHE  82   4.272  -6.194   0.023
  661    HE1  PHE  82           2HE      PHE  82   5.539  -5.681   4.788
  662    HE2  PHE  82           1HE      PHE  82   2.740  -6.986   1.806
  663    HZ   PHE  82           HZ       PHE  82   3.374  -6.728   4.189
  664    H    GLY  83           H        GLY  83   7.597  -8.227   1.348
  665    HA2  GLY  83           2HA      GLY  83   6.799  -9.853  -0.963
  666    HA3  GLY  83           1HA      GLY  83   7.026 -10.437   0.687
  667    H    GLY  84           H        GLY  84   4.823 -11.433  -0.414
  668    HA2  GLY  84           2HA      GLY  84   2.565  -9.613   0.208
  669    HA3  GLY  84           1HA      GLY  84   2.428 -11.160  -0.633
  670    H    LEU  85           H        LEU  85   0.702 -10.624   1.460
  671    HA   LEU  85           HA       LEU  85   1.817 -12.162   3.765
  672    HB2  LEU  85           2HB      LEU  85  -0.721 -10.505   3.625
  673    HB3  LEU  85           1HB      LEU  85  -0.014 -11.224   5.073
  674    HG   LEU  85           HG       LEU  85   1.264  -9.091   3.337
  675   HD11  LEU  85          1HD1      LEU  85   0.509  -7.557   4.830
  676   HD12  LEU  85          2HD1      LEU  85   0.803  -8.619   6.208
  677   HD13  LEU  85          3HD1      LEU  85  -0.675  -8.791   5.261
  678   HD21  LEU  85          3HD2      LEU  85   2.249 -10.780   5.618
  679   HD22  LEU  85          1HD2      LEU  85   2.845  -9.129   5.450
  680   HD23  LEU  85          2HD2      LEU  85   3.093 -10.293   4.149
  681    H    LYS  86           H        LYS  86   1.179 -14.249   3.941
  682    HA   LYS  86           HA       LYS  86  -0.644 -15.465   2.097
  683    HB2  LYS  86           2HB      LYS  86   1.202 -16.643   3.348
  684    HB3  LYS  86           1HB      LYS  86   0.199 -16.555   4.796
  685    HG2  LYS  86           2HG      LYS  86  -1.631 -17.704   3.448
  686    HG3  LYS  86           1HG      LYS  86  -0.411 -18.010   2.214
  687    HD2  LYS  86           2HD      LYS  86  -0.127 -18.844   5.116
  688    HD3  LYS  86           1HD      LYS  86  -0.712 -19.911   3.839
  689    HE2  LYS  86           2HE      LYS  86   1.634 -18.817   2.789
  690    HE3  LYS  86           1HE      LYS  86   2.022 -19.129   4.479
  691    HZ1  LYS  86           3HZ      LYS  86   2.422 -21.039   2.978
  692    HZ2  LYS  86           1HZ      LYS  86   0.755 -21.116   2.676
  693    HZ3  LYS  86           2HZ      LYS  86   1.345 -21.384   4.245
  694    H    LYS  87           H        LYS  87  -1.068 -14.305   5.438
  695    HA   LYS  87           HA       LYS  87  -3.834 -15.285   5.499
  696    HB2  LYS  87           2HB      LYS  87  -2.252 -13.587   7.445
  697    HB3  LYS  87           1HB      LYS  87  -3.898 -14.152   7.728
  698    HG2  LYS  87           2HG      LYS  87  -3.077 -16.505   7.399
  699    HG3  LYS  87           1HG      LYS  87  -1.433 -15.866   7.326
  700    HD2  LYS  87           2HD      LYS  87  -1.780 -14.839   9.575
  701    HD3  LYS  87           1HD      LYS  87  -3.361 -15.618   9.649
  702    HE2  LYS  87           2HE      LYS  87  -2.323 -17.421  10.519
  703    HE3  LYS  87           1HE      LYS  87  -1.600 -17.671   8.931
  704    HZ1  LYS  87           3HZ      LYS  87  -0.457 -15.968  11.077
  705    HZ2  LYS  87           1HZ      LYS  87   0.247 -16.277   9.564
  706    HZ3  LYS  87           2HZ      LYS  87   0.068 -17.537  10.691
  707    H    GLU  88           H        GLU  88  -5.564 -14.143   4.866
  708    HA   GLU  88           HA       GLU  88  -5.240 -11.461   3.769
  709    HB2  GLU  88           2HB      GLU  88  -7.697 -13.189   4.177
  710    HB3  GLU  88           1HB      GLU  88  -7.689 -11.650   3.315
  711    HG2  GLU  88           2HG      GLU  88  -5.997 -12.563   1.741
  712    HG3  GLU  88           1HG      GLU  88  -6.084 -14.114   2.576
  713    H    LYS  89           H        LYS  89  -6.581 -12.857   6.728
  714    HA   LYS  89           HA       LYS  89  -8.065 -10.635   7.650
  715    HB2  LYS  89           2HB      LYS  89  -6.438 -12.643   9.236
  716    HB3  LYS  89           1HB      LYS  89  -7.629 -11.544   9.932
  717    HG2  LYS  89           2HG      LYS  89  -9.360 -12.523   8.423
  718    HG3  LYS  89           1HG      LYS  89  -8.160 -13.687   7.855
  719    HD2  LYS  89           2HD      LYS  89  -7.858 -14.457  10.214
  720    HD3  LYS  89           1HD      LYS  89  -9.162 -13.375  10.700
  721    HE2  LYS  89           2HE      LYS  89  -9.638 -15.324   8.468
  722    HE3  LYS  89           1HE      LYS  89  -9.691 -15.896  10.136
  723    HZ1  LYS  89           3HZ      LYS  89 -11.379 -13.847   8.841
  724    HZ2  LYS  89           1HZ      LYS  89 -11.230 -13.928  10.529
  725    HZ3  LYS  89           2HZ      LYS  89 -11.863 -15.249   9.670
  726    H    ASP  90           H        ASP  90  -4.611 -11.391   8.273
  727    HA   ASP  90           HA       ASP  90  -4.091  -8.995   9.744
  728    HB2  ASP  90           2HB      ASP  90  -2.263 -10.740   8.064
  729    HB3  ASP  90           1HB      ASP  90  -1.700  -9.450   9.123
  730    H    ARG  91           H        ARG  91  -3.956  -9.790   6.308
  731    HA   ARG  91           HA       ARG  91  -2.784  -7.388   5.347
  732    HB2  ARG  91           2HB      ARG  91  -3.153  -9.438   3.989
  733    HB3  ARG  91           1HB      ARG  91  -4.886  -9.117   4.014
  734    HG2  ARG  91           2HG      ARG  91  -4.505  -6.953   2.895
  735    HG3  ARG  91           1HG      ARG  91  -2.770  -7.274   2.866
  736    HD2  ARG  91           2HD      ARG  91  -3.644  -7.908   0.712
  737    HD3  ARG  91           1HD      ARG  91  -3.278  -9.394   1.585
  738    HE   ARG  91           HE       ARG  91  -6.036  -8.516   1.943
  739   HH11  ARG  91          1HH2      ARG  91  -3.763 -10.215  -0.016
  740   HH12  ARG  91          2HH2      ARG  91  -4.953 -11.244  -0.740
  741   HH21  ARG  91          1HH1      ARG  91  -7.604  -9.850   1.009
  742   HH22  ARG  91          2HH1      ARG  91  -7.128 -11.038  -0.160
  743    H    ASN  92           H        ASN  92  -6.179  -8.205   6.032
  744    HA   ASN  92           HA       ASN  92  -7.378  -5.871   4.971
  745    HB2  ASN  92           2HB      ASN  92  -8.600  -7.890   5.827
  746    HB3  ASN  92           1HB      ASN  92  -8.248  -7.350   7.468
  747   HD21  ASN  92          1HD2      ASN  92  -9.837  -6.241   4.435
  748   HD22  ASN  92          2HD2      ASN  92 -10.959  -5.232   5.216
  749    H    ASP  93           H        ASP  93  -6.025  -6.433   8.232
  750    HA   ASP  93           HA       ASP  93  -6.758  -3.889   9.295
  751    HB2  ASP  93           2HB      ASP  93  -5.972  -5.781  10.686
  752    HB3  ASP  93           1HB      ASP  93  -4.357  -5.599  10.003
  753    H    LEU  94           H        LEU  94  -3.881  -4.937   7.485
  754    HA   LEU  94           HA       LEU  94  -2.353  -2.569   7.807
  755    HB2  LEU  94           2HB      LEU  94  -1.482  -4.661   6.803
  756    HB3  LEU  94           1HB      LEU  94  -2.480  -4.372   5.377
  757    HG   LEU  94           HG       LEU  94  -1.316  -2.204   5.029
  758   HD11  LEU  94          1HD1      LEU  94  -0.115  -3.010   7.621
  759   HD12  LEU  94          2HD1      LEU  94  -0.438  -1.401   6.979
  760   HD13  LEU  94          3HD1      LEU  94   0.988  -2.290   6.448
  761   HD21  LEU  94          3HD2      LEU  94   1.054  -3.850   5.152
  762   HD22  LEU  94          1HD2      LEU  94   0.124  -3.351   3.740
  763   HD23  LEU  94          2HD2      LEU  94  -0.323  -4.814   4.618
  764    H    ILE  95           H        ILE  95  -4.773  -3.377   5.292
  765    HA   ILE  95           HA       ILE  95  -4.483  -0.890   3.887
  766    HB   ILE  95           HB       ILE  95  -6.939  -2.650   4.062
  767   HG12  ILE  95          2HG1      ILE  95  -4.653  -2.711   2.067
  768   HG13  ILE  95          1HG1      ILE  95  -4.861  -3.872   3.380
  769   HG21  ILE  95          1HG2      ILE  95  -7.846  -1.326   2.463
  770   HG22  ILE  95          2HG2      ILE  95  -6.338  -1.275   1.548
  771   HG23  ILE  95          3HG2      ILE  95  -6.598  -0.153   2.883
  772   HD11  ILE  95          3HD1      ILE  95  -6.382  -5.038   2.196
  773   HD12  ILE  95          1HD1      ILE  95  -5.991  -4.022   0.809
  774   HD13  ILE  95          2HD1      ILE  95  -7.324  -3.581   1.878
  775    H    THR  96           H        THR  96  -6.547  -1.940   6.555
  776    HA   THR  96           HA       THR  96  -8.213   0.340   6.735
  777    HB   THR  96           HB       THR  96  -7.179  -1.312   9.055
  778    HG1  THR  96           1HG      THR  96  -8.523  -2.080   6.924
  779   HG21  THR  96          3HG2      THR  96  -8.712   0.924   9.137
  780   HG22  THR  96          1HG2      THR  96  -8.869  -0.399  10.293
  781   HG23  THR  96          2HG2      THR  96  -9.961  -0.299   8.911
  782    H    TYR  97           H        TYR  97  -4.970  -0.266   8.103
  783    HA   TYR  97           HA       TYR  97  -4.826   2.086   9.698
  784    HB2  TYR  97           2HB      TYR  97  -3.155   0.241   9.778
  785    HB3  TYR  97           1HB      TYR  97  -2.558   0.740   8.195
  786    HD1  TYR  97           1HD      TYR  97  -3.013   1.846  11.717
  787    HD2  TYR  97           2HD      TYR  97  -1.089   2.603   7.953
  788    HE1  TYR  97           1HE      TYR  97  -1.566   3.546  12.798
  789    HE2  TYR  97           2HE      TYR  97   0.356   4.303   9.033
  790    HH   TYR  97           HH       TYR  97   1.159   4.939  11.173
  791    H    LEU  98           H        LEU  98  -3.830   1.557   6.298
  792    HA   LEU  98           HA       LEU  98  -3.145   4.334   5.866
  793    HB2  LEU  98           2HB      LEU  98  -3.873   2.135   3.903
  794    HB3  LEU  98           1HB      LEU  98  -3.238   3.714   3.443
  795    HG   LEU  98           HG       LEU  98  -1.827   1.697   5.216
  796   HD11  LEU  98          1HD1      LEU  98  -1.261   0.782   3.224
  797   HD12  LEU  98          2HD1      LEU  98  -0.276   2.225   2.974
  798   HD13  LEU  98          3HD1      LEU  98  -1.915   2.151   2.324
  799   HD21  LEU  98          3HD2      LEU  98  -1.335   4.543   4.473
  800   HD22  LEU  98          1HD2      LEU  98   0.067   3.472   4.498
  801   HD23  LEU  98          2HD2      LEU  98  -0.910   3.681   5.951
  802    H    LYS  99           H        LYS  99  -6.061   2.411   5.627
  803    HA   LYS  99           HA       LYS  99  -7.692   4.131   4.097
  804    HB2  LYS  99           2HB      LYS  99  -8.302   1.826   4.962
  805    HB3  LYS  99           1HB      LYS  99  -8.576   2.565   6.537
  806    HG2  LYS  99           2HG      LYS  99 -10.222   4.117   5.457
  807    HG3  LYS  99           1HG      LYS  99 -10.031   3.194   3.965
  808    HD2  LYS  99           2HD      LYS  99 -10.773   1.150   5.114
  809    HD3  LYS  99           1HD      LYS  99 -10.943   2.051   6.622
  810    HE2  LYS  99           2HE      LYS  99 -12.353   3.340   4.412
  811    HE3  LYS  99           1HE      LYS  99 -12.928   1.697   4.699
  812    HZ1  LYS  99           3HZ      LYS  99 -13.741   2.235   6.708
  813    HZ2  LYS  99           1HZ      LYS  99 -13.769   3.809   6.075
  814    HZ3  LYS  99           2HZ      LYS  99 -12.479   3.315   7.066
  815    H    LYS 100           H        LYS 100  -6.997   4.145   7.590
  816    HA   LYS 100           HA       LYS 100  -8.705   6.318   8.294
  817    HB2  LYS 100           2HB      LYS 100  -6.067   5.427   9.491
  818    HB3  LYS 100           1HB      LYS 100  -7.175   6.569  10.251
  819    HG2  LYS 100           2HG      LYS 100  -8.950   4.838  10.233
  820    HG3  LYS 100           1HG      LYS 100  -7.806   3.694   9.528
  821    HD2  LYS 100           2HD      LYS 100  -6.337   3.929  11.482
  822    HD3  LYS 100           1HD      LYS 100  -7.450   5.102  12.183
  823    HE2  LYS 100           2HE      LYS 100  -9.207   3.140  11.805
  824    HE3  LYS 100           1HE      LYS 100  -7.756   2.140  11.879
  825    HZ1  LYS 100           3HZ      LYS 100  -9.143   3.051  14.016
  826    HZ2  LYS 100           1HZ      LYS 100  -7.862   4.159  13.920
  827    HZ3  LYS 100           2HZ      LYS 100  -7.538   2.496  14.053
  828    H    ALA 101           H        ALA 101  -5.313   6.223   7.283
  829    HA   ALA 101           HA       ALA 101  -4.762   9.003   7.536
  830    HB1  ALA 101           1HB      ALA 101  -2.789   8.562   6.390
  831    HB2  ALA 101           2HB      ALA 101  -3.564   7.425   5.285
  832    HB3  ALA 101           3HB      ALA 101  -3.209   6.941   6.943
  833    H    THR 102           H        THR 102  -6.439   7.197   5.026
  834    HA   THR 102           HA       THR 102  -6.340   9.182   2.979
  835    HB   THR 102           HB       THR 102  -7.375   6.655   3.157
  836    HG1  THR 102           1HG      THR 102  -8.515   8.056   1.138
  837   HG21  THR 102          3HG2      THR 102  -9.399   7.647   4.326
  838   HG22  THR 102          1HG2      THR 102  -9.753   6.716   2.873
  839   HG23  THR 102          2HG2      THR 102  -9.767   8.477   2.813
  840    H    GLU 103           H        GLU 103  -8.396   8.824   5.818
  841    HA   GLU 103           HA       GLU 103 -10.490  10.580   5.213
  842    HB2  GLU 103           2HB      GLU 103  -8.999  10.310   7.844
  843    HB3  GLU 103           1HB      GLU 103 -10.585  11.056   7.649
  844    HG2  GLU 103           2HG      GLU 103 -11.454   8.914   6.734
  845    HG3  GLU 103           1HG      GLU 103  -9.878   8.176   7.022
  846    HHA  HEC 201           HA       HEC 104   4.659   2.695  -5.674
  847    HHB  HEC 201           HB       HEC 104   1.054   0.008  -1.236
  848    HHC  HEC 201           HC       HEC 104   6.227  -1.379   2.110
  849    HHD  HEC 201           HD       HEC 104   9.845   1.129  -2.429
  850   HMA1  HEC 201          1HMA      HEC 104  -0.058   1.730  -2.260
  851   HMA2  HEC 201          2HMA      HEC 104  -0.361   0.674  -3.639
  852   HMA3  HEC 201          3HMA      HEC 104  -0.158   2.410  -3.885
  853   HAA1  HEC 201          1HAA      HEC 104   2.407   1.490  -6.539
  854   HAA2  HEC 201          2HAA      HEC 104   0.880   2.083  -5.902
  855   HBA1  HEC 201          1HBA      HEC 104   2.944   3.579  -7.152
  856   HBA2  HEC 201          2HBA      HEC 104   2.870   4.090  -5.465
  857   HMB1  HEC 201          1HMB      HEC 104   0.481  -1.141   1.422
  858   HMB2  HEC 201          2HMB      HEC 104   0.807  -1.942  -0.112
  859   HMB3  HEC 201          3HMB      HEC 104   1.322  -2.689   1.390
  860    HAB  HEC 201           HAB      HEC 104   4.507  -2.038   3.305
  861   HBB1  HEC 201          1HBB      HEC 104   1.520  -1.578   3.366
  862   HBB2  HEC 201          2HBB      HEC 104   2.487  -2.121   4.728
  863   HBB3  HEC 201          3HBB      HEC 104   2.345  -3.139   3.301
  864   HMC1  HEC 201          1HMC      HEC 104   8.748  -2.694   1.492
  865   HMC2  HEC 201          2HMC      HEC 104   8.454  -1.535   2.788
  866   HMC3  HEC 201          3HMC      HEC 104  10.026  -1.587   1.988
  867    HAC  HEC 201           HAC      HEC 104  10.958   1.107  -0.534
  868   HBC1  HEC 201          1HBC      HEC 104  12.354  -0.628  -0.841
  869   HBC2  HEC 201          2HBC      HEC 104  12.210  -1.020   0.872
  870   HBC3  HEC 201          3HBC      HEC 104  11.106  -1.748  -0.296
  871   HMD1  HEC 201          1HMD      HEC 104   9.833   2.707  -5.869
  872   HMD2  HEC 201          2HMD      HEC 104   9.936   1.025  -5.346
  873   HMD3  HEC 201          3HMD      HEC 104  10.488   2.317  -4.278
  874   HAD1  HEC 201          1HAD      HEC 104   8.103   4.203  -6.113
  875   HAD2  HEC 201          2HAD      HEC 104   6.348   4.143  -6.111
  876   HBD1  HEC 201          1HBD      HEC 104   8.207   3.101  -8.063
  877   HBD2  HEC 201          2HBD      HEC 104   7.171   1.812  -7.453
  Start of MODEL   16
    1    H1   THR  -5           1HT      THR  -5 -15.956 -10.820  -3.413
    2    H2   THR  -5           2HT      THR  -5 -16.519 -10.267  -1.908
    3    H3   THR  -5           3HT      THR  -5 -15.486 -11.615  -1.990
    4    HA   THR  -5           HA       THR  -5 -13.683 -10.354  -1.934
    5    HB   THR  -5           HB       THR  -5 -14.000  -8.152  -3.579
    6    HG1  THR  -5           1HG      THR  -5 -15.161 -10.225  -5.025
    7   HG21  THR  -5          1HG2      THR  -5 -13.186 -10.949  -4.411
    8   HG22  THR  -5          2HG2      THR  -5 -12.147  -9.818  -3.545
    9   HG23  THR  -5          3HG2      THR  -5 -12.689  -9.442  -5.181
   10    H    GLU  -4           H        GLU  -4 -16.350  -9.664  -0.513
   11    HA   GLU  -4           HA       GLU  -4 -16.489  -6.869  -0.059
   12    HB2  GLU  -4           2HB      GLU  -4 -17.067  -9.142   1.866
   13    HB3  GLU  -4           1HB      GLU  -4 -17.583  -7.470   2.086
   14    HG2  GLU  -4           2HG      GLU  -4 -18.832  -7.595  -0.061
   15    HG3  GLU  -4           1HG      GLU  -4 -18.368  -9.292  -0.206
   16    H    PHE  -3           H        PHE  -3 -15.436  -5.512   1.424
   17    HA   PHE  -3           HA       PHE  -3 -12.882  -6.595   2.495
   18    HB2  PHE  -3           2HB      PHE  -3 -12.709  -4.594   1.082
   19    HB3  PHE  -3           1HB      PHE  -3 -13.831  -3.735   2.138
   20    HD1  PHE  -3           2HD      PHE  -3 -10.505  -5.427   2.060
   21    HD2  PHE  -3           1HD      PHE  -3 -13.087  -2.681   4.123
   22    HE1  PHE  -3           2HE      PHE  -3  -8.627  -4.775   3.546
   23    HE2  PHE  -3           1HE      PHE  -3 -11.210  -2.030   5.608
   24    HZ   PHE  -3           HZ       PHE  -3  -8.982  -3.078   5.321
   25    H    LYS  -2           H        LYS  -2 -12.617  -6.877   4.655
   26    HA   LYS  -2           HA       LYS  -2 -14.845  -6.234   6.454
   27    HB2  LYS  -2           2HB      LYS  -2 -13.445  -8.369   6.557
   28    HB3  LYS  -2           1HB      LYS  -2 -12.148  -7.373   7.219
   29    HG2  LYS  -2           2HG      LYS  -2 -13.797  -6.585   8.979
   30    HG3  LYS  -2           1HG      LYS  -2 -14.897  -7.836   8.401
   31    HD2  LYS  -2           2HD      LYS  -2 -12.068  -8.359   9.360
   32    HD3  LYS  -2           1HD      LYS  -2 -13.510  -8.575  10.352
   33    HE2  LYS  -2           2HE      LYS  -2 -14.178  -9.967   8.076
   34    HE3  LYS  -2           1HE      LYS  -2 -12.447 -10.274   8.194
   35    HZ1  LYS  -2           3HZ      LYS  -2 -13.962 -11.844   9.436
   36    HZ2  LYS  -2           1HZ      LYS  -2 -14.262 -10.568  10.512
   37    HZ3  LYS  -2           2HZ      LYS  -2 -12.684 -11.169  10.329
   38    H    ALA  -1           H        ALA  -1 -14.795  -4.660   8.077
   39    HA   ALA  -1           HA       ALA  -1 -13.444  -2.266   7.724
   40    HB1  ALA  -1           1HB      ALA  -1 -14.264  -3.565  10.339
   41    HB2  ALA  -1           2HB      ALA  -1 -15.229  -2.459   9.362
   42    HB3  ALA  -1           3HB      ALA  -1 -13.782  -1.876  10.183
   43    H    GLY   1           H        GLY   1 -12.070  -5.245   8.654
   44    HA2  GLY   1           2HA      GLY   1  -9.829  -5.803   9.087
   45    HA3  GLY   1           1HA      GLY   1  -9.409  -4.127   8.731
   46    H    SER   2           H        SER   2  -9.128  -6.293  11.105
   47    HA   SER   2           HA       SER   2 -10.120  -4.967  13.438
   48    HB2  SER   2           2HB      SER   2  -8.635  -6.418  14.682
   49    HB3  SER   2           1HB      SER   2  -9.288  -7.346  13.333
   50    HG   SER   2           HG       SER   2  -7.030  -7.598  13.504
   51    H    ALA   3           H        ALA   3  -7.472  -4.283  11.340
   52    HA   ALA   3           HA       ALA   3  -5.845  -2.595  11.400
   53    HB1  ALA   3           1HB      ALA   3  -6.430  -0.567  12.477
   54    HB2  ALA   3           2HB      ALA   3  -7.391  -1.396  13.701
   55    HB3  ALA   3           3HB      ALA   3  -7.977  -1.292  12.042
   56    H    LYS   4           H        LYS   4  -5.279  -1.164  14.029
   57    HA   LYS   4           HA       LYS   4  -3.729  -1.427  15.769
   58    HB2  LYS   4           2HB      LYS   4  -5.643  -2.793  16.657
   59    HB3  LYS   4           1HB      LYS   4  -4.898  -4.219  15.935
   60    HG2  LYS   4           2HG      LYS   4  -2.844  -3.797  17.268
   61    HG3  LYS   4           1HG      LYS   4  -3.642  -2.420  18.027
   62    HD2  LYS   4           2HD      LYS   4  -5.442  -3.972  18.822
   63    HD3  LYS   4           1HD      LYS   4  -4.502  -5.322  18.186
   64    HE2  LYS   4           2HE      LYS   4  -3.726  -3.412  20.400
   65    HE3  LYS   4           1HE      LYS   4  -3.941  -5.158  20.508
   66    HZ1  LYS   4           3HZ      LYS   4  -2.072  -5.404  18.948
   67    HZ2  LYS   4           1HZ      LYS   4  -1.616  -4.649  20.396
   68    HZ3  LYS   4           2HZ      LYS   4  -1.832  -3.723  18.988
   69    H    LYS   5           H        LYS   5  -3.719  -4.832  14.723
   70    HA   LYS   5           HA       LYS   5  -0.890  -5.041  14.730
   71    HB2  LYS   5           2HB      LYS   5  -2.940  -6.635  13.165
   72    HB3  LYS   5           1HB      LYS   5  -1.249  -7.098  13.357
   73    HG2  LYS   5           2HG      LYS   5  -1.569  -7.075  15.835
   74    HG3  LYS   5           1HG      LYS   5  -3.283  -6.746  15.578
   75    HD2  LYS   5           2HD      LYS   5  -3.443  -8.846  14.235
   76    HD3  LYS   5           1HD      LYS   5  -1.759  -9.190  14.632
   77    HE2  LYS   5           2HE      LYS   5  -3.202 -10.394  16.187
   78    HE3  LYS   5           1HE      LYS   5  -2.356  -9.112  17.057
   79    HZ1  LYS   5           3HZ      LYS   5  -4.766  -8.123  15.959
   80    HZ2  LYS   5           1HZ      LYS   5  -4.281  -8.186  17.583
   81    HZ3  LYS   5           2HZ      LYS   5  -5.089  -9.510  16.887
   82    H    GLY   6           H        GLY   6  -3.124  -4.349  12.023
   83    HA2  GLY   6           2HA      GLY   6  -1.162  -4.288   9.968
   84    HA3  GLY   6           1HA      GLY   6  -2.676  -3.385   9.929
   85    H    ALA   7           H        ALA   7  -2.098  -1.860  12.360
   86    HA   ALA   7           HA       ALA   7  -0.779   0.379  11.206
   87    HB1  ALA   7           1HB      ALA   7  -2.339   0.316  13.251
   88    HB2  ALA   7           2HB      ALA   7  -0.955   1.404  13.343
   89    HB3  ALA   7           3HB      ALA   7  -0.912  -0.149  14.176
   90    H    THR   8           H        THR   8   0.432  -2.062  13.512
   91    HA   THR   8           HA       THR   8   3.104  -0.943  13.556
   92    HB   THR   8           HB       THR   8   3.696  -2.971  14.770
   93    HG1  THR   8           1HG      THR   8   2.430  -4.728  14.753
   94   HG21  THR   8          3HG2      THR   8   2.113  -1.136  15.752
   95   HG22  THR   8          1HG2      THR   8   2.333  -2.643  16.640
   96   HG23  THR   8          2HG2      THR   8   0.888  -2.401  15.661
   97    H    LEU   9           H        LEU   9   1.465  -3.482  11.699
   98    HA   LEU   9           HA       LEU   9   3.752  -4.604  10.429
   99    HB2  LEU   9           2HB      LEU   9   1.393  -5.486  10.261
  100    HB3  LEU   9           1HB      LEU   9   1.027  -4.149   9.169
  101    HG   LEU   9           HG       LEU   9   3.166  -5.031   7.885
  102   HD11  LEU   9          1HD1      LEU   9   3.730  -7.263   8.205
  103   HD12  LEU   9          2HD1      LEU   9   2.163  -7.664   8.907
  104   HD13  LEU   9          3HD1      LEU   9   3.357  -6.783   9.859
  105   HD21  LEU   9          3HD2      LEU   9   0.443  -6.369   7.839
  106   HD22  LEU   9          1HD2      LEU   9   1.652  -6.531   6.565
  107   HD23  LEU   9          2HD2      LEU   9   0.938  -4.957   6.906
  108    H    PHE  10           H        PHE  10   1.766  -1.785   9.671
  109    HA   PHE  10           HA       PHE  10   3.063  -1.049   7.225
  110    HB2  PHE  10           2HB      PHE  10   0.880  -0.125   8.059
  111    HB3  PHE  10           1HB      PHE  10   1.769   0.759   9.295
  112    HD1  PHE  10           2HD      PHE  10   1.250   0.396   5.635
  113    HD2  PHE  10           1HD      PHE  10   2.989   2.744   8.784
  114    HE1  PHE  10           2HE      PHE  10   1.706   2.225   4.022
  115    HE2  PHE  10           1HE      PHE  10   3.435   4.570   7.170
  116    HZ   PHE  10           HZ       PHE  10   2.806   4.309   4.795
  117    H    LYS  11           H        LYS  11   3.572  -0.061  10.600
  118    HA   LYS  11           HA       LYS  11   5.750   1.715  10.133
  119    HB2  LYS  11           2HB      LYS  11   4.381   1.458  12.267
  120    HB3  LYS  11           1HB      LYS  11   5.341   0.018  12.601
  121    HG2  LYS  11           2HG      LYS  11   7.410   1.376  12.471
  122    HG3  LYS  11           1HG      LYS  11   6.432   2.818  12.199
  123    HD2  LYS  11           2HD      LYS  11   5.264   2.342  14.380
  124    HD3  LYS  11           1HD      LYS  11   6.438   1.056  14.664
  125    HE2  LYS  11           2HE      LYS  11   6.989   4.018  14.370
  126    HE3  LYS  11           1HE      LYS  11   7.268   3.010  15.790
  127    HZ1  LYS  11           3HZ      LYS  11   9.345   3.045  14.887
  128    HZ2  LYS  11           1HZ      LYS  11   8.787   3.166  13.290
  129    HZ3  LYS  11           2HZ      LYS  11   8.724   1.673  14.098
  130    H    THR  12           H        THR  12   5.637  -1.769  10.734
  131    HA   THR  12           HA       THR  12   8.485  -2.095  10.996
  132    HB   THR  12           HB       THR  12   8.031  -4.478  10.834
  133    HG1  THR  12           1HG      THR  12   6.616  -4.626   9.179
  134   HG21  THR  12          3HG2      THR  12   7.276  -4.242  12.938
  135   HG22  THR  12          1HG2      THR  12   5.642  -4.120  12.285
  136   HG23  THR  12          2HG2      THR  12   6.592  -2.661  12.559
  137    H    ARG  13           H        ARG  13   6.335  -2.127   8.168
  138    HA   ARG  13           HA       ARG  13   8.775  -2.197   6.489
  139    HB2  ARG  13           2HB      ARG  13   6.498  -4.178   6.252
  140    HB3  ARG  13           1HB      ARG  13   7.735  -3.952   5.016
  141    HG2  ARG  13           2HG      ARG  13   9.480  -4.479   6.731
  142    HG3  ARG  13           1HG      ARG  13   8.192  -4.820   7.887
  143    HD2  ARG  13           2HD      ARG  13   8.864  -6.926   6.930
  144    HD3  ARG  13           1HD      ARG  13   7.290  -6.518   6.249
  145    HE   ARG  13           HE       ARG  13   9.406  -5.524   4.562
  146   HH11  ARG  13          1HH2      ARG  13   7.713  -8.351   5.576
  147   HH12  ARG  13          2HH2      ARG  13   7.988  -9.208   4.096
  148   HH21  ARG  13          1HH1      ARG  13   9.773  -6.627   2.624
  149   HH22  ARG  13          2HH1      ARG  13   9.153  -8.231   2.424
  150    H    CYS  14           H        CYS  14   7.367   0.118   6.704
  151    HA   CYS  14           HA       CYS  14   6.503   0.560   4.004
  152    HB2  CYS  14           2HB      CYS  14   4.539  -0.707   5.239
  153    HB3  CYS  14           1HB      CYS  14   4.207   0.899   5.882
  154    H    LEU  15           H        LEU  15   5.901   1.777   7.316
  155    HA   LEU  15           HA       LEU  15   5.624   4.503   6.629
  156    HB2  LEU  15           2HB      LEU  15   5.174   3.550   8.894
  157    HB3  LEU  15           1HB      LEU  15   6.913   3.400   9.139
  158    HG   LEU  15           HG       LEU  15   7.011   5.934   8.599
  159   HD11  LEU  15          1HD1      LEU  15   4.802   6.305   7.734
  160   HD12  LEU  15          2HD1      LEU  15   4.861   7.087   9.312
  161   HD13  LEU  15          3HD1      LEU  15   4.059   5.527   9.133
  162   HD21  LEU  15          3HD2      LEU  15   5.599   5.037  11.123
  163   HD22  LEU  15          1HD2      LEU  15   6.591   6.481  10.930
  164   HD23  LEU  15          2HD2      LEU  15   7.333   4.884  10.845
  165    H    GLN  16           H        GLN  16   8.563   2.604   7.177
  166    HA   GLN  16           HA       GLN  16  10.430   4.722   7.258
  167    HB2  GLN  16           2HB      GLN  16  10.718   1.961   6.031
  168    HB3  GLN  16           1HB      GLN  16  12.061   3.055   6.366
  169    HG2  GLN  16           2HG      GLN  16  11.383   3.088   8.769
  170    HG3  GLN  16           1HG      GLN  16  10.136   1.896   8.401
  171   HE21  GLN  16          1HE2      GLN  16  12.600   1.151   6.320
  172   HE22  GLN  16          2HE2      GLN  16  13.444   0.019   7.264
  173    H    CYS  17           H        CYS  17   8.767   3.254   4.512
  174    HA   CYS  17           HA       CYS  17  10.310   4.997   2.660
  175    HB2  CYS  17           2HB      CYS  17   8.417   2.695   2.159
  176    HB3  CYS  17           1HB      CYS  17   9.193   3.636   0.885
  177    H    HIS  18           H        HIS  18   6.920   4.219   3.512
  178    HA   HIS  18           HA       HIS  18   6.080   6.640   1.986
  179    HB2  HIS  18           2HB      HIS  18   4.556   4.237   3.029
  180    HB3  HIS  18           1HB      HIS  18   3.757   5.660   2.352
  181    HD1  HIS  18           1HD      HIS  18   4.438   6.239  -0.216
  182    HD2  HIS  18           2HD      HIS  18   5.503   2.454   1.155
  183    HE1  HIS  18           1HE      HIS  18   4.922   4.838  -2.280
  184    H    THR  19           H        THR  19   5.693   8.460   3.135
  185    HA   THR  19           HA       THR  19   5.527   8.354   6.060
  186    HB   THR  19           HB       THR  19   5.527  10.784   5.945
  187    HG1  THR  19           1HG      THR  19   5.689  11.463   3.526
  188   HG21  THR  19          3HG2      THR  19   7.406  10.588   3.794
  189   HG22  THR  19          1HG2      THR  19   7.499   9.112   4.755
  190   HG23  THR  19          2HG2      THR  19   7.730  10.682   5.524
  191    H    VAL  20           H        VAL  20   3.334   8.588   3.367
  192    HA   VAL  20           HA       VAL  20   0.990   8.561   3.317
  193    HB   VAL  20           HB       VAL  20   0.922   8.266   6.304
  194   HG11  VAL  20          1HG1      VAL  20  -0.576   6.718   4.193
  195   HG12  VAL  20          2HG1      VAL  20  -1.109   8.322   4.698
  196   HG13  VAL  20          3HG1      VAL  20  -1.031   7.010   5.872
  197   HG21  VAL  20          3HG2      VAL  20   2.203   6.457   4.323
  198   HG22  VAL  20          1HG2      VAL  20   1.140   5.695   5.506
  199   HG23  VAL  20          2HG2      VAL  20   2.525   6.643   6.046
  200    H    GLU  21           H        GLU  21   2.812  10.884   4.825
  201    HA   GLU  21           HA       GLU  21   0.457  12.489   5.683
  202    HB2  GLU  21           2HB      GLU  21   3.431  13.022   5.971
  203    HB3  GLU  21           1HB      GLU  21   2.144  14.043   6.619
  204    HG2  GLU  21           2HG      GLU  21   1.318  12.114   7.954
  205    HG3  GLU  21           1HG      GLU  21   2.669  11.150   7.356
  206    H    LYS  22           H        LYS  22  -0.413  13.858   4.213
  207    HA   LYS  22           HA       LYS  22   0.858  14.400   1.677
  208    HB2  LYS  22           2HB      LYS  22  -1.067  15.789   1.216
  209    HB3  LYS  22           1HB      LYS  22  -1.633  14.356   2.073
  210    HG2  LYS  22           2HG      LYS  22  -1.528  15.668   4.213
  211    HG3  LYS  22           1HG      LYS  22  -1.144  17.102   3.261
  212    HD2  LYS  22           2HD      LYS  22  -3.272  16.636   1.935
  213    HD3  LYS  22           1HD      LYS  22  -3.680  15.457   3.181
  214    HE2  LYS  22           2HE      LYS  22  -4.722  17.346   4.038
  215    HE3  LYS  22           1HE      LYS  22  -3.142  17.475   4.811
  216    HZ1  LYS  22           3HZ      LYS  22  -4.270  19.035   2.609
  217    HZ2  LYS  22           1HZ      LYS  22  -2.599  18.747   2.596
  218    HZ3  LYS  22           2HZ      LYS  22  -3.312  19.541   3.919
  219    H    GLY  23           H        GLY  23   0.438  16.265   4.671
  220    HA2  GLY  23           2HA      GLY  23   1.483  18.736   3.727
  221    HA3  GLY  23           1HA      GLY  23   1.526  18.209   5.410
  222    H    GLY  24           H        GLY  24   3.097  15.832   4.940
  223    HA2  GLY  24           2HA      GLY  24   5.732  17.042   4.977
  224    HA3  GLY  24           1HA      GLY  24   5.391  15.313   5.087
  225    HA   PRO  25           HA       PRO  25   6.736  16.651   0.682
  226    HB2  PRO  25           2HB      PRO  25   9.430  16.271   0.790
  227    HB3  PRO  25           1HB      PRO  25   8.668  17.821   1.194
  228    HG2  PRO  25           2HG      PRO  25   9.669  15.677   3.005
  229    HG3  PRO  25           1HG      PRO  25   9.816  17.436   3.148
  230    HD2  PRO  25           2HD      PRO  25   7.957  15.982   4.538
  231    HD3  PRO  25           1HD      PRO  25   7.707  17.677   4.060
  232    H    HIS  26           H        HIS  26   8.864  15.071  -0.399
  233    HA   HIS  26           HA       HIS  26   7.740  12.331   0.008
  234    HB2  HIS  26           2HB      HIS  26   9.169  13.539  -2.380
  235    HB3  HIS  26           1HB      HIS  26   8.626  11.864  -2.274
  236    HD1  HIS  26           1HD      HIS  26   6.010  11.469  -2.160
  237    HD2  HIS  26           2HD      HIS  26   7.141  15.399  -2.974
  238    HE1  HIS  26           1HE      HIS  26   3.944  12.639  -3.042
  239    HE2  HIS  26           2HE      HIS  26   4.619  15.037  -3.529
  240    H    LYS  27           H        LYS  27   9.135  10.691   0.598
  241    HA   LYS  27           HA       LYS  27  11.999  11.463   0.990
  242    HB2  LYS  27           2HB      LYS  27  10.532  10.825   3.008
  243    HB3  LYS  27           1HB      LYS  27  10.573   9.183   2.370
  244    HG2  LYS  27           2HG      LYS  27  13.060   9.250   2.418
  245    HG3  LYS  27           1HG      LYS  27  12.984  10.864   3.123
  246    HD2  LYS  27           2HD      LYS  27  11.639   9.909   5.013
  247    HD3  LYS  27           1HD      LYS  27  11.915   8.302   4.340
  248    HE2  LYS  27           2HE      LYS  27  13.872   8.232   5.451
  249    HE3  LYS  27           1HE      LYS  27  14.446   9.552   4.433
  250    HZ1  LYS  27           3HZ      LYS  27  12.705  10.244   6.670
  251    HZ2  LYS  27           1HZ      LYS  27  14.023  11.090   6.021
  252    HZ3  LYS  27           2HZ      LYS  27  14.290   9.761   7.046
  253    H    VAL  28           H        VAL  28  11.865   8.255   1.526
  254    HA   VAL  28           HA       VAL  28  13.263   7.554  -0.866
  255    HB   VAL  28           HB       VAL  28  11.833   5.824   1.172
  256   HG11  VAL  28          1HG1      VAL  28  12.039   4.552  -0.874
  257   HG12  VAL  28          2HG1      VAL  28  13.309   4.008   0.225
  258   HG13  VAL  28          3HG1      VAL  28  13.700   5.101  -1.103
  259   HG21  VAL  28          3HG2      VAL  28  14.134   7.369   1.389
  260   HG22  VAL  28          1HG2      VAL  28  14.757   5.763   1.009
  261   HG23  VAL  28          2HG2      VAL  28  13.719   5.996   2.416
  262    H    GLY  29           H        GLY  29   9.865   7.166   0.094
  263    HA2  GLY  29           2HA      GLY  29   9.236   6.575  -2.771
  264    HA3  GLY  29           1HA      GLY  29   8.442   5.702  -1.460
  265    HA   PRO  30           HA       PRO  30   6.292   9.828  -2.689
  266    HB2  PRO  30           2HB      PRO  30   4.028   8.588  -3.731
  267    HB3  PRO  30           1HB      PRO  30   5.369   9.234  -4.690
  268    HG2  PRO  30           2HG      PRO  30   4.784   6.438  -3.903
  269    HG3  PRO  30           1HG      PRO  30   5.509   7.068  -5.390
  270    HD2  PRO  30           2HD      PRO  30   6.989   5.880  -3.435
  271    HD3  PRO  30           1HD      PRO  30   7.635   7.172  -4.472
  272    H    ASN  31           H        ASN  31   4.666  10.708  -1.349
  273    HA   ASN  31           HA       ASN  31   3.984   9.240   1.035
  274    HB2  ASN  31           2HB      ASN  31   2.850  11.819  -0.095
  275    HB3  ASN  31           1HB      ASN  31   2.522  11.204   1.525
  276   HD21  ASN  31          1HD2      ASN  31   5.653  10.276   0.807
  277   HD22  ASN  31          2HD2      ASN  31   6.488  11.584   1.496
  278    H    LEU  32           H        LEU  32   1.970   8.312   1.614
  279    HA   LEU  32           HA       LEU  32   0.223   7.673  -0.712
  280    HB2  LEU  32           2HB      LEU  32   1.312   5.895   0.854
  281    HB3  LEU  32           1HB      LEU  32   0.076   6.385   2.010
  282    HG   LEU  32           HG       LEU  32  -1.645   5.980   0.189
  283   HD11  LEU  32          1HD1      LEU  32  -0.593   5.870  -1.862
  284   HD12  LEU  32          2HD1      LEU  32  -0.579   4.153  -1.464
  285   HD13  LEU  32          3HD1      LEU  32   0.862   5.129  -1.200
  286   HD21  LEU  32          3HD2      LEU  32  -1.297   4.372   2.000
  287   HD22  LEU  32          1HD2      LEU  32   0.065   3.658   1.135
  288   HD23  LEU  32          2HD2      LEU  32  -1.570   3.504   0.488
  289    H    HIS  33           H        HIS  33  -1.635   8.867  -0.856
  290    HA   HIS  33           HA       HIS  33  -3.195   9.403   1.584
  291    HB2  HIS  33           2HB      HIS  33  -1.617  11.325   1.441
  292    HB3  HIS  33           1HB      HIS  33  -2.235  11.684  -0.172
  293    HD1  HIS  33           1HD      HIS  33  -3.692  11.161   3.329
  294    HD2  HIS  33           2HD      HIS  33  -4.340  13.463  -0.090
  295    HE1  HIS  33           1HE      HIS  33  -5.617  12.718   3.866
  296    HE2  HIS  33           2HE      HIS  33  -6.019  14.124   1.794
  297    H    GLY  34           H        GLY  34  -5.361   9.358   1.110
  298    HA2  GLY  34           2HA      GLY  34  -7.251   8.917  -0.232
  299    HA3  GLY  34           1HA      GLY  34  -6.717  10.368  -1.083
  300    H    ILE  35           H        ILE  35  -4.450   7.816  -1.093
  301    HA   ILE  35           HA       ILE  35  -4.372   7.593  -3.916
  302    HB   ILE  35           HB       ILE  35  -2.616   6.848  -2.202
  303   HG12  ILE  35          2HG1      ILE  35  -2.090   4.735  -3.701
  304   HG13  ILE  35          1HG1      ILE  35  -3.446   5.330  -4.659
  305   HG21  ILE  35          1HG2      ILE  35  -4.163   4.259  -2.309
  306   HG22  ILE  35          2HG2      ILE  35  -4.356   5.410  -0.988
  307   HG23  ILE  35          3HG2      ILE  35  -2.788   4.658  -1.280
  308   HD11  ILE  35          3HD1      ILE  35  -1.065   7.031  -3.865
  309   HD12  ILE  35          1HD1      ILE  35  -2.359   7.473  -4.978
  310   HD13  ILE  35          2HD1      ILE  35  -1.213   6.208  -5.417
  311    H    PHE  36           H        PHE  36  -6.478   6.102  -1.588
  312    HA   PHE  36           HA       PHE  36  -7.263   3.802  -3.091
  313    HB2  PHE  36           2HB      PHE  36  -8.769   5.486  -1.068
  314    HB3  PHE  36           1HB      PHE  36  -9.354   3.950  -1.699
  315    HD1  PHE  36           2HD      PHE  36  -6.710   5.575   0.316
  316    HD2  PHE  36           1HD      PHE  36  -8.377   1.850  -1.019
  317    HE1  PHE  36           2HE      PHE  36  -5.334   4.361   1.987
  318    HE2  PHE  36           1HE      PHE  36  -7.000   0.638   0.650
  319    HZ   PHE  36           HZ       PHE  36  -5.481   1.891   2.151
  320    H    GLY  37           H        GLY  37  -8.711   3.591  -4.774
  321    HA2  GLY  37           2HA      GLY  37 -10.232   4.213  -6.451
  322    HA3  GLY  37           1HA      GLY  37 -10.708   5.566  -5.424
  323    H    ARG  38           H        ARG  38  -7.387   5.000  -6.483
  324    HA   ARG  38           HA       ARG  38  -7.632   7.383  -8.276
  325    HB2  ARG  38           2HB      ARG  38  -5.296   6.735  -6.459
  326    HB3  ARG  38           1HB      ARG  38  -5.430   8.134  -7.521
  327    HG2  ARG  38           2HG      ARG  38  -7.343   7.529  -5.247
  328    HG3  ARG  38           1HG      ARG  38  -5.989   8.650  -5.135
  329    HD2  ARG  38           2HD      ARG  38  -7.013   9.837  -7.173
  330    HD3  ARG  38           1HD      ARG  38  -8.463   8.888  -6.849
  331    HE   ARG  38           HE       ARG  38  -7.580  11.178  -5.322
  332   HH11  ARG  38          1HH2      ARG  38  -9.097   8.085  -5.185
  333   HH12  ARG  38          2HH2      ARG  38 -10.028   8.456  -3.772
  334   HH21  ARG  38          1HH1      ARG  38  -8.787  11.681  -3.477
  335   HH22  ARG  38          2HH1      ARG  38  -9.852  10.490  -2.804
  336    H    HIS  39           H        HIS  39  -6.207   7.405 -10.089
  337    HA   HIS  39           HA       HIS  39  -5.160   4.705 -10.796
  338    HB2  HIS  39           2HB      HIS  39  -6.115   6.998 -12.527
  339    HB3  HIS  39           1HB      HIS  39  -5.320   5.561 -13.167
  340    HD1  HIS  39           1HD      HIS  39  -8.513   6.715 -11.554
  341    HD2  HIS  39           2HD      HIS  39  -6.899   3.195 -13.110
  342    HE1  HIS  39           1HE      HIS  39 -10.428   5.065 -11.734
  343    HE2  HIS  39           2HE      HIS  39  -9.458   2.921 -12.678
  344    H    SER  40           H        SER  40  -3.044   4.508 -11.507
  345    HA   SER  40           HA       SER  40  -0.768   5.057 -11.577
  346    HB2  SER  40           2HB      SER  40  -0.353   7.244 -12.865
  347    HB3  SER  40           1HB      SER  40  -1.261   5.987 -13.698
  348    HG   SER  40           HG       SER  40  -2.109   8.428 -12.628
  349    H    GLY  41           H        GLY  41   0.855   6.897 -11.027
  350    HA2  GLY  41           2HA      GLY  41   0.501   7.609  -8.284
  351    HA3  GLY  41           1HA      GLY  41   1.778   8.221  -9.337
  352    H    GLN  42           H        GLN  42  -1.705   8.676  -8.664
  353    HA   GLN  42           HA       GLN  42  -1.968  11.173 -10.004
  354    HB2  GLN  42           2HB      GLN  42  -3.861   9.765  -9.119
  355    HB3  GLN  42           1HB      GLN  42  -3.447  10.328  -7.499
  356    HG2  GLN  42           2HG      GLN  42  -3.705  12.692  -8.343
  357    HG3  GLN  42           1HG      GLN  42  -4.330  12.022  -9.851
  358   HE21  GLN  42          1HE2      GLN  42  -6.548  11.580  -9.901
  359   HE22  GLN  42          2HE2      GLN  42  -7.548  11.504  -8.531
  360    H    ALA  43           H        ALA  43  -0.831  10.389  -6.743
  361    HA   ALA  43           HA       ALA  43  -0.867  12.989  -5.628
  362    HB1  ALA  43           1HB      ALA  43   1.352  11.976  -4.475
  363    HB2  ALA  43           2HB      ALA  43   0.664  10.489  -5.131
  364    HB3  ALA  43           3HB      ALA  43  -0.275  11.476  -4.010
  365    H    GLU  44           H        GLU  44   1.459  11.475  -7.812
  366    HA   GLU  44           HA       GLU  44   3.378  12.367  -8.849
  367    HB2  GLU  44           2HB      GLU  44   1.578  14.810  -8.792
  368    HB3  GLU  44           1HB      GLU  44   3.005  14.624  -9.813
  369    HG2  GLU  44           2HG      GLU  44   1.974  12.612 -10.848
  370    HG3  GLU  44           1HG      GLU  44   0.528  12.877  -9.875
  371    H    GLY  45           H        GLY  45   4.794  14.609  -8.748
  372    HA2  GLY  45           2HA      GLY  45   5.850  16.228  -7.307
  373    HA3  GLY  45           1HA      GLY  45   5.019  15.502  -5.928
  374    H    TYR  46           H        TYR  46   5.920  12.834  -7.337
  375    HA   TYR  46           HA       TYR  46   8.766  12.884  -6.455
  376    HB2  TYR  46           2HB      TYR  46   7.366  12.017  -4.587
  377    HB3  TYR  46           1HB      TYR  46   6.742  10.768  -5.663
  378    HD1  TYR  46           1HD      TYR  46   9.883  12.113  -4.163
  379    HD2  TYR  46           2HD      TYR  46   7.957   8.778  -6.063
  380    HE1  TYR  46           1HE      TYR  46  11.855  10.693  -3.671
  381    HE2  TYR  46           2HE      TYR  46   9.932   7.356  -5.575
  382    HH   TYR  46           HH       TYR  46  12.894   8.711  -4.295
  383    H    SER  47           H        SER  47  10.087  11.408  -7.611
  384    HA   SER  47           HA       SER  47   9.245  10.753 -10.257
  385    HB2  SER  47           2HB      SER  47  11.524   9.548  -8.665
  386    HB3  SER  47           1HB      SER  47  11.346   9.494 -10.415
  387    HG   SER  47           HG       SER  47  12.204  11.520  -8.776
  388    H    TYR  48           H        TYR  48   8.650   8.755 -11.179
  389    HA   TYR  48           HA       TYR  48   7.833   6.639  -9.223
  390    HB2  TYR  48           2HB      TYR  48   6.444   7.739 -11.658
  391    HB3  TYR  48           1HB      TYR  48   6.128   6.088 -11.127
  392    HD1  TYR  48           1HD      TYR  48   6.100   9.642 -10.003
  393    HD2  TYR  48           2HD      TYR  48   4.718   5.637  -9.278
  394    HE1  TYR  48           1HE      TYR  48   4.550  10.491  -8.259
  395    HE2  TYR  48           2HE      TYR  48   3.179   6.490  -7.538
  396    HH   TYR  48           HH       TYR  48   2.269   8.302  -6.621
  397    H    THR  49           H        THR  49   8.355   4.514  -9.772
  398    HA   THR  49           HA       THR  49  10.496   4.153 -11.694
  399    HB   THR  49           HB       THR  49   8.845   2.048 -10.262
  400    HG1  THR  49           1HG      THR  49  10.169   2.313  -8.606
  401   HG21  THR  49          3HG2      THR  49  10.047   0.702 -11.635
  402   HG22  THR  49          1HG2      THR  49  11.406   1.098 -10.581
  403   HG23  THR  49          2HG2      THR  49  11.159   1.998 -12.077
  404    H    ASP  50           H        ASP  50  10.377   3.146 -13.726
  405    HA   ASP  50           HA       ASP  50   8.132   3.529 -15.335
  406    HB2  ASP  50           2HB      ASP  50  10.295   1.431 -15.552
  407    HB3  ASP  50           1HB      ASP  50   9.122   1.754 -16.828
  408    H    ALA  51           H        ALA  51   8.893   0.803 -13.241
  409    HA   ALA  51           HA       ALA  51   7.098  -1.139 -14.105
  410    HB1  ALA  51           1HB      ALA  51   6.947  -1.857 -11.739
  411    HB2  ALA  51           2HB      ALA  51   7.658  -0.322 -11.239
  412    HB3  ALA  51           3HB      ALA  51   8.606  -1.463 -12.192
  413    H    ASN  52           H        ASN  52   6.202   1.012 -11.381
  414    HA   ASN  52           HA       ASN  52   3.426   0.527 -11.598
  415    HB2  ASN  52           2HB      ASN  52   4.465   1.588  -9.624
  416    HB3  ASN  52           1HB      ASN  52   4.771   3.043 -10.576
  417   HD21  ASN  52          1HD2      ASN  52   2.042   0.910  -9.574
  418   HD22  ASN  52          2HD2      ASN  52   0.881   2.147  -9.548
  419    H    ILE  53           H        ILE  53   5.382   3.089 -13.142
  420    HA   ILE  53           HA       ILE  53   3.203   4.555 -14.215
  421    HB   ILE  53           HB       ILE  53   5.943   4.153 -15.444
  422   HG12  ILE  53          2HG1      ILE  53   4.988   6.272 -13.490
  423   HG13  ILE  53          1HG1      ILE  53   5.972   4.879 -13.040
  424   HG21  ILE  53          1HG2      ILE  53   5.500   6.375 -16.416
  425   HG22  ILE  53          2HG2      ILE  53   3.905   6.383 -15.663
  426   HG23  ILE  53          3HG2      ILE  53   4.280   5.207 -16.924
  427   HD11  ILE  53          3HD1      ILE  53   6.989   7.304 -13.835
  428   HD12  ILE  53          1HD1      ILE  53   7.021   6.389 -15.342
  429   HD13  ILE  53          2HD1      ILE  53   7.864   5.775 -13.921
  430    H    LYS  54           H        LYS  54   5.129   1.923 -15.703
  431    HA   LYS  54           HA       LYS  54   3.615   1.856 -18.133
  432    HB2  LYS  54           2HB      LYS  54   5.856   0.779 -17.802
  433    HB3  LYS  54           1HB      LYS  54   5.071  -0.451 -16.811
  434    HG2  LYS  54           2HG      LYS  54   3.604  -1.032 -18.729
  435    HG3  LYS  54           1HG      LYS  54   4.456   0.155 -19.718
  436    HD2  LYS  54           2HD      LYS  54   6.593  -1.080 -19.247
  437    HD3  LYS  54           1HD      LYS  54   5.640  -2.324 -18.437
  438    HE2  LYS  54           2HE      LYS  54   6.123  -2.911 -20.807
  439    HE3  LYS  54           1HE      LYS  54   4.393  -2.756 -20.498
  440    HZ1  LYS  54           3HZ      LYS  54   5.417  -1.594 -22.540
  441    HZ2  LYS  54           1HZ      LYS  54   5.944  -0.430 -21.424
  442    HZ3  LYS  54           2HZ      LYS  54   4.283  -0.750 -21.595
  443    H    LYS  55           H        LYS  55   3.408  -0.236 -15.228
  444    HA   LYS  55           HA       LYS  55   1.061  -1.624 -16.147
  445    HB2  LYS  55           2HB      LYS  55   2.609  -2.477 -14.374
  446    HB3  LYS  55           1HB      LYS  55   1.996  -1.226 -13.291
  447    HG2  LYS  55           2HG      LYS  55  -0.299  -2.134 -13.571
  448    HG3  LYS  55           1HG      LYS  55   0.353  -3.419 -14.591
  449    HD2  LYS  55           2HD      LYS  55   1.828  -4.107 -12.684
  450    HD3  LYS  55           1HD      LYS  55   1.010  -2.913 -11.675
  451    HE2  LYS  55           2HE      LYS  55  -0.289  -4.758 -11.188
  452    HE3  LYS  55           1HE      LYS  55  -1.159  -4.163 -12.601
  453    HZ1  LYS  55           3HZ      LYS  55  -0.296  -5.789 -13.936
  454    HZ2  LYS  55           1HZ      LYS  55  -0.409  -6.634 -12.469
  455    HZ3  LYS  55           2HZ      LYS  55   1.089  -6.014 -12.977
  456    H    ASN  56           H        ASN  56   1.504   1.067 -13.853
  457    HA   ASN  56           HA       ASN  56  -0.127   2.424 -12.815
  458    HB2  ASN  56           2HB      ASN  56  -0.490   2.588 -15.780
  459    HB3  ASN  56           1HB      ASN  56  -1.662   3.409 -14.748
  460   HD21  ASN  56          1HD2      ASN  56   0.258   4.075 -12.606
  461   HD22  ASN  56          2HD2      ASN  56   1.293   5.265 -13.225
  462    H    VAL  57           H        VAL  57  -1.400   1.164 -11.512
  463    HA   VAL  57           HA       VAL  57  -3.890   0.078 -12.755
  464    HB   VAL  57           HB       VAL  57  -2.416  -1.737 -12.017
  465   HG11  VAL  57          1HG1      VAL  57  -1.604  -1.904  -9.789
  466   HG12  VAL  57          2HG1      VAL  57  -2.675  -0.623  -9.220
  467   HG13  VAL  57          3HG1      VAL  57  -1.304  -0.231 -10.258
  468   HG21  VAL  57          3HG2      VAL  57  -4.058  -2.945 -10.871
  469   HG22  VAL  57          1HG2      VAL  57  -5.016  -1.648 -11.588
  470   HG23  VAL  57          2HG2      VAL  57  -4.536  -1.557  -9.894
  471    H    LEU  58           H        LEU  58  -5.812   0.313 -11.540
  472    HA   LEU  58           HA       LEU  58  -6.011   2.707  -9.972
  473    HB2  LEU  58           2HB      LEU  58  -7.912   1.865 -11.265
  474    HB3  LEU  58           1HB      LEU  58  -7.934   0.381 -10.319
  475    HG   LEU  58           HG       LEU  58  -8.392   1.783  -8.267
  476   HD11  LEU  58          1HD1      LEU  58  -8.068   4.001  -8.442
  477   HD12  LEU  58          2HD1      LEU  58  -9.506   4.068  -9.459
  478   HD13  LEU  58          3HD1      LEU  58  -7.914   3.897 -10.196
  479   HD21  LEU  58          3HD2      LEU  58 -10.421   0.963  -8.850
  480   HD22  LEU  58          1HD2      LEU  58 -10.164   1.309 -10.560
  481   HD23  LEU  58          2HD2      LEU  58 -10.736   2.580  -9.479
  482    H    TRP  59           H        TRP  59  -5.871   2.993  -7.786
  483    HA   TRP  59           HA       TRP  59  -5.193   0.597  -6.168
  484    HB2  TRP  59           2HB      TRP  59  -4.860   3.566  -5.661
  485    HB3  TRP  59           1HB      TRP  59  -4.498   2.328  -4.458
  486    HD1  TRP  59           HD       TRP  59  -2.956   4.175  -7.228
  487    HE1  TRP  59           1HE      TRP  59  -0.719   3.089  -7.926
  488    HE3  TRP  59           3HE      TRP  59  -3.330  -0.267  -4.754
  489    HZ2  TRP  59           2HZ      TRP  59   0.717   0.651  -7.486
  490    HZ3  TRP  59           3HZ      TRP  59  -1.520  -1.945  -4.904
  491    HH2  TRP  59           HH       TRP  59   0.504  -1.494  -6.260
  492    H    ASP  60           H        ASP  60  -6.586  -0.179  -4.689
  493    HA   ASP  60           HA       ASP  60  -8.648   1.512  -3.462
  494    HB2  ASP  60           2HB      ASP  60  -9.612   0.714  -5.679
  495    HB3  ASP  60           1HB      ASP  60  -9.501  -0.928  -5.045
  496    H    GLU  61           H        GLU  61  -9.846   0.180  -1.757
  497    HA   GLU  61           HA       GLU  61  -8.042  -1.236  -0.120
  498    HB2  GLU  61           2HB      GLU  61 -11.062  -1.497  -0.263
  499    HB3  GLU  61           1HB      GLU  61 -10.061  -2.088   1.063
  500    HG2  GLU  61           2HG      GLU  61  -9.231   0.224   1.440
  501    HG3  GLU  61           1HG      GLU  61 -10.300   0.797   0.159
  502    H    ASN  62           H        ASN  62 -10.305  -2.472  -2.567
  503    HA   ASN  62           HA       ASN  62  -9.761  -5.255  -2.062
  504    HB2  ASN  62           2HB      ASN  62 -11.746  -4.492  -3.317
  505    HB3  ASN  62           1HB      ASN  62 -10.699  -3.897  -4.607
  506   HD21  ASN  62          1HD2      ASN  62  -9.760  -5.444  -6.055
  507   HD22  ASN  62          2HD2      ASN  62 -10.162  -7.093  -6.018
  508    H    ASN  63           H        ASN  63  -8.491  -2.962  -4.484
  509    HA   ASN  63           HA       ASN  63  -6.702  -4.804  -5.724
  510    HB2  ASN  63           2HB      ASN  63  -7.440  -2.551  -6.613
  511    HB3  ASN  63           1HB      ASN  63  -6.285  -1.820  -5.499
  512   HD21  ASN  63          1HD2      ASN  63  -4.972  -1.049  -7.339
  513   HD22  ASN  63          2HD2      ASN  63  -4.008  -2.128  -8.224
  514    H    MET  64           H        MET  64  -6.220  -2.565  -2.997
  515    HA   MET  64           HA       MET  64  -3.413  -2.945  -2.744
  516    HB2  MET  64           2HB      MET  64  -5.521  -2.321  -0.661
  517    HB3  MET  64           1HB      MET  64  -3.789  -2.319  -0.319
  518    HG2  MET  64           2HG      MET  64  -3.480  -0.667  -2.174
  519    HG3  MET  64           1HG      MET  64  -5.229  -0.595  -2.350
  520    HE1  MET  64           3HE      MET  64  -5.017   2.718  -0.868
  521    HE2  MET  64           1HE      MET  64  -4.955   1.698  -2.312
  522    HE3  MET  64           2HE      MET  64  -3.463   2.224  -1.536
  523    H    SER  65           H        SER  65  -6.132  -4.858  -1.495
  524    HA   SER  65           HA       SER  65  -4.600  -6.586   0.177
  525    HB2  SER  65           2HB      SER  65  -7.079  -7.273  -1.430
  526    HB3  SER  65           1HB      SER  65  -6.470  -8.158  -0.036
  527    HG   SER  65           HG       SER  65  -7.596  -6.804   1.099
  528    H    GLU  66           H        GLU  66  -5.381  -6.750  -3.292
  529    HA   GLU  66           HA       GLU  66  -4.087  -9.276  -3.749
  530    HB2  GLU  66           2HB      GLU  66  -4.657  -6.959  -5.621
  531    HB3  GLU  66           1HB      GLU  66  -4.105  -8.548  -6.139
  532    HG2  GLU  66           2HG      GLU  66  -6.105  -9.571  -5.079
  533    HG3  GLU  66           1HG      GLU  66  -6.671  -7.959  -4.640
  534    H    HIS  67           H        HIS  67  -2.987  -5.929  -3.708
  535    HA   HIS  67           HA       HIS  67  -0.433  -6.277  -4.897
  536    HB2  HIS  67           2HB      HIS  67  -1.622  -4.105  -4.223
  537    HB3  HIS  67           1HB      HIS  67  -1.035  -4.414  -2.592
  538    HD1  HIS  67           1HD      HIS  67   0.490  -4.334  -6.098
  539    HD2  HIS  67           2HD      HIS  67   1.404  -3.205  -2.195
  540    HE1  HIS  67           1HE      HIS  67   2.750  -3.192  -6.192
  541    HE2  HIS  67           2HE      HIS  67   3.322  -2.515  -3.817
  542    H    LEU  68           H        LEU  68  -1.443  -6.487  -1.493
  543    HA   LEU  68           HA       LEU  68   1.167  -7.241  -0.515
  544    HB2  LEU  68           2HB      LEU  68  -1.554  -7.702   0.738
  545    HB3  LEU  68           1HB      LEU  68  -0.001  -7.715   1.570
  546    HG   LEU  68           HG       LEU  68  -1.154  -5.325   0.113
  547   HD11  LEU  68          1HD1      LEU  68  -1.092  -6.122   3.025
  548   HD12  LEU  68          2HD1      LEU  68  -2.484  -5.638   2.058
  549   HD13  LEU  68          3HD1      LEU  68  -1.275  -4.441   2.520
  550   HD21  LEU  68          3HD2      LEU  68   0.711  -4.233   1.584
  551   HD22  LEU  68          1HD2      LEU  68   1.174  -5.041   0.086
  552   HD23  LEU  68          2HD2      LEU  68   1.385  -5.861   1.633
  553    H    THR  69           H        THR  69  -1.671  -9.030  -1.629
  554    HA   THR  69           HA       THR  69  -0.986 -11.592  -0.646
  555    HB   THR  69           HB       THR  69  -2.336 -11.000  -3.292
  556    HG1  THR  69           1HG      THR  69  -3.207  -9.924  -1.385
  557   HG21  THR  69          3HG2      THR  69  -3.558 -13.163  -2.527
  558   HG22  THR  69          1HG2      THR  69  -2.178 -13.376  -1.447
  559   HG23  THR  69          2HG2      THR  69  -1.932 -13.316  -3.194
  560    H    ASN  70           H        ASN  70   0.104  -9.955  -3.611
  561    HA   ASN  70           HA       ASN  70   2.434 -11.709  -3.714
  562    HB2  ASN  70           2HB      ASN  70   0.107 -12.082  -5.553
  563    HB3  ASN  70           1HB      ASN  70   1.727 -12.236  -6.233
  564   HD21  ASN  70          1HD2      ASN  70  -0.675 -13.846  -4.334
  565   HD22  ASN  70          2HD2      ASN  70   0.263 -15.193  -3.899
  566    HA   PRO  71           HA       PRO  71   2.719  -7.240  -5.237
  567    HB2  PRO  71           2HB      PRO  71   5.367  -7.670  -3.960
  568    HB3  PRO  71           1HB      PRO  71   4.258  -6.297  -3.820
  569    HG2  PRO  71           2HG      PRO  71   4.602  -8.159  -1.883
  570    HG3  PRO  71           1HG      PRO  71   3.111  -7.231  -2.106
  571    HD2  PRO  71           2HD      PRO  71   3.611 -10.087  -2.629
  572    HD3  PRO  71           1HD      PRO  71   2.072  -9.236  -2.424
  573    H    ALA  72           H        ALA  72   4.681 -10.140  -5.532
  574    HA   ALA  72           HA       ALA  72   6.567  -9.166  -7.454
  575    HB1  ALA  72           1HB      ALA  72   7.209 -11.388  -7.717
  576    HB2  ALA  72           2HB      ALA  72   5.559 -11.990  -7.562
  577    HB3  ALA  72           3HB      ALA  72   6.439 -11.451  -6.132
  578    H    LYS  73           H        LYS  73   3.640 -11.166  -8.032
  579    HA   LYS  73           HA       LYS  73   3.673 -10.755 -10.870
  580    HB2  LYS  73           2HB      LYS  73   2.399 -12.573  -9.696
  581    HB3  LYS  73           1HB      LYS  73   1.265 -11.350  -9.122
  582    HG2  LYS  73           2HG      LYS  73   0.780 -10.719 -11.473
  583    HG3  LYS  73           1HG      LYS  73   1.868 -11.996 -12.023
  584    HD2  LYS  73           2HD      LYS  73   0.458 -13.653 -10.771
  585    HD3  LYS  73           1HD      LYS  73  -0.678 -12.351 -10.418
  586    HE2  LYS  73           2HE      LYS  73   0.129 -13.309 -13.180
  587    HE3  LYS  73           1HE      LYS  73  -1.424 -13.597 -12.394
  588    HZ1  LYS  73           3HZ      LYS  73  -0.859 -10.851 -12.312
  589    HZ2  LYS  73           1HZ      LYS  73  -2.126 -11.642 -13.114
  590    HZ3  LYS  73           2HZ      LYS  73  -0.647 -11.389 -13.909
  591    H    TYR  74           H        TYR  74   2.232  -8.956  -8.204
  592    HA   TYR  74           HA       TYR  74   0.463  -7.278  -9.616
  593    HB2  TYR  74           2HB      TYR  74   0.890  -7.429  -7.086
  594    HB3  TYR  74           1HB      TYR  74   2.233  -6.320  -7.360
  595    HD1  TYR  74           1HD      TYR  74   1.760  -4.072  -8.454
  596    HD2  TYR  74           2HD      TYR  74  -1.345  -6.649  -6.994
  597    HE1  TYR  74           1HE      TYR  74   0.197  -2.155  -8.410
  598    HE2  TYR  74           2HE      TYR  74  -2.915  -4.730  -6.953
  599    HH   TYR  74           HH       TYR  74  -1.830  -1.470  -7.385
  600    H    ILE  75           H        ILE  75   3.968  -6.858  -9.036
  601    HA   ILE  75           HA       ILE  75   4.041  -5.077 -11.417
  602    HB   ILE  75           HB       ILE  75   5.848  -3.767  -9.963
  603   HG12  ILE  75          2HG1      ILE  75   3.889  -4.353  -7.777
  604   HG13  ILE  75          1HG1      ILE  75   5.207  -5.490  -8.051
  605   HG21  ILE  75          1HG2      ILE  75   2.924  -3.462 -10.304
  606   HG22  ILE  75          2HG2      ILE  75   4.226  -2.329 -10.662
  607   HG23  ILE  75          3HG2      ILE  75   3.632  -2.499  -9.009
  608   HD11  ILE  75          3HD1      ILE  75   6.851  -3.910  -7.538
  609   HD12  ILE  75          1HD1      ILE  75   5.567  -3.471  -6.410
  610   HD13  ILE  75          2HD1      ILE  75   5.789  -2.547  -7.896
  611    HA   PRO  76           HA       PRO  76   7.524  -7.425 -12.674
  612    HB2  PRO  76           2HB      PRO  76   9.332  -5.334 -13.246
  613    HB3  PRO  76           1HB      PRO  76   8.189  -6.088 -14.371
  614    HG2  PRO  76           2HG      PRO  76   7.974  -3.546 -12.884
  615    HG3  PRO  76           1HG      PRO  76   7.294  -4.003 -14.453
  616    HD2  PRO  76           2HD      PRO  76   5.763  -3.817 -12.222
  617    HD3  PRO  76           1HD      PRO  76   5.420  -4.997 -13.505
  618    H    GLY  77           H        GLY  77   7.499  -5.842  -9.809
  619    HA2  GLY  77           2HA      GLY  77   8.815  -6.419  -7.905
  620    HA3  GLY  77           1HA      GLY  77  10.024  -7.110  -8.986
  621    H    THR  78           H        THR  78   8.551  -3.860  -8.796
  622    HA   THR  78           HA       THR  78  10.887  -2.447  -9.527
  623    HB   THR  78           HB       THR  78   8.549  -1.495  -9.357
  624    HG1  THR  78           1HG      THR  78   9.466   0.390  -9.280
  625   HG21  THR  78          3HG2      THR  78   9.035  -0.766  -6.530
  626   HG22  THR  78          1HG2      THR  78   8.593  -2.450  -6.815
  627   HG23  THR  78          2HG2      THR  78   7.523  -1.154  -7.350
  628    H    LYS  79           H        LYS  79  11.275  -0.588  -7.383
  629    HA   LYS  79           HA       LYS  79  13.348  -1.872  -5.931
  630    HB2  LYS  79           2HB      LYS  79  11.810   0.647  -5.232
  631    HB3  LYS  79           1HB      LYS  79  13.345   0.160  -4.510
  632    HG2  LYS  79           2HG      LYS  79  14.290   0.097  -6.879
  633    HG3  LYS  79           1HG      LYS  79  12.811   0.909  -7.393
  634    HD2  LYS  79           2HD      LYS  79  14.702   1.951  -5.263
  635    HD3  LYS  79           1HD      LYS  79  14.657   2.517  -6.932
  636    HE2  LYS  79           2HE      LYS  79  12.111   2.911  -6.453
  637    HE3  LYS  79           1HE      LYS  79  12.609   2.871  -4.761
  638    HZ1  LYS  79           3HZ      LYS  79  13.908   4.593  -6.794
  639    HZ2  LYS  79           1HZ      LYS  79  14.087   4.662  -5.109
  640    HZ3  LYS  79           2HZ      LYS  79  12.615   5.116  -5.825
  641    H    MET  80           H        MET  80   9.918  -1.676  -5.300
  642    HA   MET  80           HA       MET  80  10.053  -2.217  -2.478
  643    HB2  MET  80           2HB      MET  80   7.837  -2.775  -4.470
  644    HB3  MET  80           1HB      MET  80   7.666  -2.865  -2.715
  645    HG2  MET  80           2HG      MET  80   8.568  -0.452  -2.690
  646    HG3  MET  80           1HG      MET  80   8.226  -0.439  -4.418
  647    HE1  MET  80           3HE      MET  80   4.676  -1.334  -4.775
  648    HE2  MET  80           1HE      MET  80   6.333  -1.282  -5.394
  649    HE3  MET  80           2HE      MET  80   5.395   0.203  -5.248
  650    H    ALA  81           H        ALA  81  10.734  -4.035  -1.540
  651    HA   ALA  81           HA       ALA  81  10.535  -6.606  -3.056
  652    HB1  ALA  81           1HB      ALA  81  12.848  -5.891  -2.445
  653    HB2  ALA  81           2HB      ALA  81  12.386  -7.398  -1.657
  654    HB3  ALA  81           3HB      ALA  81  12.372  -5.888  -0.748
  655    H    PHE  82           H        PHE  82   8.504  -5.197  -1.370
  656    HA   PHE  82           HA       PHE  82   8.191  -6.338   1.188
  657    HB2  PHE  82           2HB      PHE  82   6.797  -4.503   0.187
  658    HB3  PHE  82           1HB      PHE  82   5.981  -5.718  -0.792
  659    HD1  PHE  82           1HD      PHE  82   6.621  -4.583   2.684
  660    HD2  PHE  82           2HD      PHE  82   4.313  -7.157   0.139
  661    HE1  PHE  82           1HE      PHE  82   5.077  -5.061   4.565
  662    HE2  PHE  82           2HE      PHE  82   2.772  -7.639   2.018
  663    HZ   PHE  82           HZ       PHE  82   3.151  -6.588   4.230
  664    H    GLY  83           H        GLY  83   7.512  -8.338   1.896
  665    HA2  GLY  83           2HA      GLY  83   7.320 -10.483  -0.101
  666    HA3  GLY  83           1HA      GLY  83   7.324 -10.695   1.649
  667    H    GLY  84           H        GLY  84   5.489 -12.219   0.594
  668    HA2  GLY  84           2HA      GLY  84   2.944 -10.690   0.435
  669    HA3  GLY  84           1HA      GLY  84   3.156 -12.363  -0.081
  670    H    LEU  85           H        LEU  85   1.218 -11.133   1.866
  671    HA   LEU  85           HA       LEU  85   2.046 -12.442   4.403
  672    HB2  LEU  85           2HB      LEU  85  -0.432 -10.795   3.803
  673    HB3  LEU  85           1HB      LEU  85   0.130 -11.306   5.396
  674    HG   LEU  85           HG       LEU  85   1.574  -9.435   3.496
  675   HD11  LEU  85          1HD1      LEU  85   0.815  -7.706   4.786
  676   HD12  LEU  85          2HD1      LEU  85   0.861  -8.659   6.269
  677   HD13  LEU  85          3HD1      LEU  85  -0.491  -8.835   5.151
  678   HD21  LEU  85          3HD2      LEU  85   3.014  -9.210   5.692
  679   HD22  LEU  85          1HD2      LEU  85   3.327 -10.540   4.578
  680   HD23  LEU  85          2HD2      LEU  85   2.380 -10.819   6.040
  681    H    LYS  86           H        LYS  86   1.091 -14.339   5.090
  682    HA   LYS  86           HA       LYS  86  -0.717 -15.675   3.170
  683    HB2  LYS  86           2HB      LYS  86   0.606 -16.690   5.705
  684    HB3  LYS  86           1HB      LYS  86  -0.329 -17.678   4.579
  685    HG2  LYS  86           2HG      LYS  86   1.273 -16.972   2.762
  686    HG3  LYS  86           1HG      LYS  86   2.262 -16.213   4.010
  687    HD2  LYS  86           2HD      LYS  86   1.466 -19.140   3.982
  688    HD3  LYS  86           1HD      LYS  86   3.033 -18.520   3.459
  689    HE2  LYS  86           2HE      LYS  86   3.589 -18.953   5.642
  690    HE3  LYS  86           1HE      LYS  86   2.891 -17.352   5.888
  691    HZ1  LYS  86           3HZ      LYS  86   1.277 -19.832   6.015
  692    HZ2  LYS  86           1HZ      LYS  86   0.854 -18.282   6.557
  693    HZ3  LYS  86           2HZ      LYS  86   2.045 -19.172   7.379
  694    H    LYS  87           H        LYS  87  -1.069 -13.735   5.902
  695    HA   LYS  87           HA       LYS  87  -3.581 -15.106   6.718
  696    HB2  LYS  87           2HB      LYS  87  -1.976 -12.923   8.067
  697    HB3  LYS  87           1HB      LYS  87  -3.507 -13.551   8.676
  698    HG2  LYS  87           2HG      LYS  87  -2.480 -15.850   8.685
  699    HG3  LYS  87           1HG      LYS  87  -0.935 -15.101   8.279
  700    HD2  LYS  87           2HD      LYS  87  -1.132 -13.680  10.320
  701    HD3  LYS  87           1HD      LYS  87  -2.604 -14.553  10.745
  702    HE2  LYS  87           2HE      LYS  87   0.022 -15.965  10.246
  703    HE3  LYS  87           1HE      LYS  87  -0.450 -15.390  11.845
  704    HZ1  LYS  87           3HZ      LYS  87  -1.181 -17.597  11.731
  705    HZ2  LYS  87           1HZ      LYS  87  -1.791 -17.417  10.159
  706    HZ3  LYS  87           2HZ      LYS  87  -2.580 -16.668  11.463
  707    H    GLU  88           H        GLU  88  -5.488 -14.276   6.087
  708    HA   GLU  88           HA       GLU  88  -5.573 -11.860   4.464
  709    HB2  GLU  88           2HB      GLU  88  -7.779 -13.642   5.539
  710    HB3  GLU  88           1HB      GLU  88  -8.029 -12.321   4.398
  711    HG2  GLU  88           2HG      GLU  88  -6.452 -13.414   2.819
  712    HG3  GLU  88           1HG      GLU  88  -6.282 -14.759   3.947
  713    H    LYS  89           H        LYS  89  -6.588 -12.738   7.756
  714    HA   LYS  89           HA       LYS  89  -8.021 -10.356   8.355
  715    HB2  LYS  89           2HB      LYS  89  -6.391 -12.148  10.179
  716    HB3  LYS  89           1HB      LYS  89  -7.521 -10.913  10.736
  717    HG2  LYS  89           2HG      LYS  89  -9.337 -12.058   9.457
  718    HG3  LYS  89           1HG      LYS  89  -8.193 -13.336   9.040
  719    HD2  LYS  89           2HD      LYS  89  -7.821 -13.736  11.480
  720    HD3  LYS  89           1HD      LYS  89  -9.078 -12.550  11.831
  721    HE2  LYS  89           2HE      LYS  89  -9.661 -14.836   9.969
  722    HE3  LYS  89           1HE      LYS  89  -9.717 -15.089  11.714
  723    HZ1  LYS  89           3HZ      LYS  89 -11.532 -13.647  10.011
  724    HZ2  LYS  89           1HZ      LYS  89 -11.077 -12.777  11.395
  725    HZ3  LYS  89           2HZ      LYS  89 -11.785 -14.314  11.554
  726    H    ASP  90           H        ASP  90  -4.562 -11.124   8.893
  727    HA   ASP  90           HA       ASP  90  -3.902  -8.576  10.010
  728    HB2  ASP  90           2HB      ASP  90  -2.216 -10.603   8.514
  729    HB3  ASP  90           1HB      ASP  90  -1.558  -9.196   9.344
  730    H    ARG  91           H        ARG  91  -3.914  -9.797   6.682
  731    HA   ARG  91           HA       ARG  91  -2.697  -7.557   5.427
  732    HB2  ARG  91           2HB      ARG  91  -3.182  -9.737   4.316
  733    HB3  ARG  91           1HB      ARG  91  -4.899  -9.332   4.328
  734    HG2  ARG  91           2HG      ARG  91  -4.441  -7.324   2.974
  735    HG3  ARG  91           1HG      ARG  91  -2.723  -7.724   2.961
  736    HD2  ARG  91           2HD      ARG  91  -3.667  -8.540   0.897
  737    HD3  ARG  91           1HD      ARG  91  -3.332  -9.939   1.915
  738    HE   ARG  91           HE       ARG  91  -6.048  -8.939   2.238
  739   HH11  ARG  91          1HH2      ARG  91  -3.884 -10.875   0.382
  740   HH12  ARG  91          2HH2      ARG  91  -5.126 -11.920  -0.225
  741   HH21  ARG  91          1HH1      ARG  91  -7.684 -10.290   1.456
  742   HH22  ARG  91          2HH1      ARG  91  -7.278 -11.589   0.383
  743    H    ASN  92           H        ASN  92  -6.135  -8.183   6.188
  744    HA   ASN  92           HA       ASN  92  -7.161  -5.823   4.973
  745    HB2  ASN  92           2HB      ASN  92  -8.161  -7.421   7.345
  746    HB3  ASN  92           1HB      ASN  92  -9.079  -6.137   6.562
  747   HD21  ASN  92          1HD2      ASN  92 -10.220  -8.664   6.506
  748   HD22  ASN  92          2HD2      ASN  92 -10.109  -9.328   4.948
  749    H    ASP  93           H        ASP  93  -5.793  -6.408   8.193
  750    HA   ASP  93           HA       ASP  93  -6.489  -3.913   9.359
  751    HB2  ASP  93           2HB      ASP  93  -4.106  -5.729   9.818
  752    HB3  ASP  93           1HB      ASP  93  -4.519  -4.363  10.850
  753    H    LEU  94           H        LEU  94  -3.698  -4.875   7.366
  754    HA   LEU  94           HA       LEU  94  -2.237  -2.452   7.648
  755    HB2  LEU  94           2HB      LEU  94  -1.288  -4.510   6.645
  756    HB3  LEU  94           1HB      LEU  94  -2.347  -4.307   5.250
  757    HG   LEU  94           HG       LEU  94  -1.304  -2.145   4.737
  758   HD11  LEU  94          1HD1      LEU  94   0.944  -1.813   6.127
  759   HD12  LEU  94          2HD1      LEU  94   0.027  -2.674   7.362
  760   HD13  LEU  94          3HD1      LEU  94  -0.591  -1.161   6.700
  761   HD21  LEU  94          3HD2      LEU  94  -0.116  -4.664   4.480
  762   HD22  LEU  94          1HD2      LEU  94   1.182  -3.626   5.064
  763   HD23  LEU  94          2HD2      LEU  94   0.319  -3.208   3.586
  764    H    ILE  95           H        ILE  95  -4.659  -3.389   5.180
  765    HA   ILE  95           HA       ILE  95  -4.495  -0.905   3.747
  766    HB   ILE  95           HB       ILE  95  -6.863  -2.777   3.952
  767   HG12  ILE  95          2HG1      ILE  95  -4.578  -2.762   1.956
  768   HG13  ILE  95          1HG1      ILE  95  -4.731  -3.911   3.286
  769   HG21  ILE  95          1HG2      ILE  95  -7.826  -1.534   2.319
  770   HG22  ILE  95          2HG2      ILE  95  -6.311  -1.400   1.423
  771   HG23  ILE  95          3HG2      ILE  95  -6.655  -0.286   2.746
  772   HD11  ILE  95          3HD1      ILE  95  -5.822  -4.199   0.730
  773   HD12  ILE  95          1HD1      ILE  95  -7.193  -3.725   1.734
  774   HD13  ILE  95          2HD1      ILE  95  -6.241  -5.150   2.155
  775    H    THR  96           H        THR  96  -6.559  -2.032   6.395
  776    HA   THR  96           HA       THR  96  -8.281   0.208   6.553
  777    HB   THR  96           HB       THR  96  -7.273  -1.468   8.868
  778    HG1  THR  96           1HG      THR  96  -9.496  -2.430   8.208
  779   HG21  THR  96          3HG2      THR  96  -9.948  -0.108   8.490
  780   HG22  THR  96          1HG2      THR  96  -8.599   0.655   9.331
  781   HG23  THR  96          2HG2      THR  96  -9.304  -0.832   9.963
  782    H    TYR  97           H        TYR  97  -5.062  -0.345   7.997
  783    HA   TYR  97           HA       TYR  97  -4.997   1.967   9.645
  784    HB2  TYR  97           2HB      TYR  97  -3.263   0.179   9.679
  785    HB3  TYR  97           1HB      TYR  97  -2.682   0.742   8.112
  786    HD1  TYR  97           2HD      TYR  97  -3.174   1.734  11.664
  787    HD2  TYR  97           1HD      TYR  97  -1.282   2.662   7.922
  788    HE1  TYR  97           2HE      TYR  97  -1.793   3.460  12.790
  789    HE2  TYR  97           1HE      TYR  97   0.098   4.387   9.047
  790    HH   TYR  97           HH       TYR  97  -0.467   5.828  11.580
  791    H    LEU  98           H        LEU  98  -3.942   1.577   6.246
  792    HA   LEU  98           HA       LEU  98  -3.336   4.380   5.901
  793    HB2  LEU  98           2HB      LEU  98  -4.019   2.229   3.869
  794    HB3  LEU  98           1HB      LEU  98  -3.405   3.831   3.462
  795    HG   LEU  98           HG       LEU  98  -1.973   1.810   5.213
  796   HD11  LEU  98          1HD1      LEU  98  -2.086   2.233   2.322
  797   HD12  LEU  98          2HD1      LEU  98  -1.379   0.896   3.230
  798   HD13  LEU  98          3HD1      LEU  98  -0.443   2.365   2.954
  799   HD21  LEU  98          3HD2      LEU  98  -1.546   4.665   4.506
  800   HD22  LEU  98          1HD2      LEU  98  -0.118   3.633   4.442
  801   HD23  LEU  98          2HD2      LEU  98  -1.037   3.775   5.941
  802    H    LYS  99           H        LYS  99  -6.199   2.393   5.580
  803    HA   LYS  99           HA       LYS  99  -7.863   4.147   4.112
  804    HB2  LYS  99           2HB      LYS  99  -8.367   1.754   4.847
  805    HB3  LYS  99           1HB      LYS  99  -8.761   2.418   6.432
  806    HG2  LYS  99           2HG      LYS  99 -10.433   3.915   5.340
  807    HG3  LYS  99           1HG      LYS  99 -10.101   3.101   3.810
  808    HD2  LYS  99           2HD      LYS  99 -10.746   0.935   4.850
  809    HD3  LYS  99           1HD      LYS  99 -11.162   1.797   6.332
  810    HE2  LYS  99           2HE      LYS  99 -12.378   2.886   3.863
  811    HE3  LYS  99           1HE      LYS  99 -12.942   1.282   4.333
  812    HZ1  LYS  99           3HZ      LYS  99 -13.339   3.835   5.632
  813    HZ2  LYS  99           1HZ      LYS  99 -12.940   2.562   6.681
  814    HZ3  LYS  99           2HZ      LYS  99 -14.298   2.432   5.670
  815    H    LYS 100           H        LYS 100  -7.210   3.971   7.607
  816    HA   LYS 100           HA       LYS 100  -9.029   6.005   8.431
  817    HB2  LYS 100           2HB      LYS 100  -6.368   5.148   9.600
  818    HB3  LYS 100           1HB      LYS 100  -7.519   6.206  10.416
  819    HG2  LYS 100           2HG      LYS 100  -9.236   4.420  10.272
  820    HG3  LYS 100           1HG      LYS 100  -8.041   3.358   9.521
  821    HD2  LYS 100           2HD      LYS 100  -6.613   3.518  11.502
  822    HD3  LYS 100           1HD      LYS 100  -7.752   4.635  12.248
  823    HE2  LYS 100           2HE      LYS 100  -9.019   2.926  12.994
  824    HE3  LYS 100           1HE      LYS 100  -9.135   2.255  11.367
  825    HZ1  LYS 100           3HZ      LYS 100  -7.074   1.744  13.422
  826    HZ2  LYS 100           1HZ      LYS 100  -6.790   1.412  11.783
  827    HZ3  LYS 100           2HZ      LYS 100  -8.054   0.624  12.603
  828    H    ALA 101           H        ALA 101  -5.621   6.168   7.459
  829    HA   ALA 101           HA       ALA 101  -5.194   8.923   7.949
  830    HB1  ALA 101           1HB      ALA 101  -4.047   7.081   5.837
  831    HB2  ALA 101           2HB      ALA 101  -3.311   7.551   7.368
  832    HB3  ALA 101           3HB      ALA 101  -3.483   8.736   6.073
  833    H    THR 102           H        THR 102  -6.635   7.297   5.138
  834    HA   THR 102           HA       THR 102  -6.907   9.738   3.595
  835    HB   THR 102           HB       THR 102  -8.295   8.401   2.107
  836    HG1  THR 102           1HG      THR 102  -9.579   7.120   3.174
  837   HG21  THR 102          3HG2      THR 102  -5.704   7.564   3.077
  838   HG22  THR 102          1HG2      THR 102  -6.335   7.530   1.432
  839   HG23  THR 102          2HG2      THR 102  -6.628   6.171   2.517
  840    H    GLU 103           H        GLU 103  -8.823   8.093   6.020
  841    HA   GLU 103           HA       GLU 103 -10.982   8.567   6.864
  842    HB2  GLU 103           2HB      GLU 103  -9.445  10.238   7.912
  843    HB3  GLU 103           1HB      GLU 103  -9.860  11.373   6.625
  844    HG2  GLU 103           2HG      GLU 103 -12.260  11.180   7.276
  845    HG3  GLU 103           1HG      GLU 103 -11.783  10.143   8.621
  846    HHA  HEC 201           HA       HEC 104   4.952   3.579  -5.826
  847    HHB  HEC 201           HB       HEC 104   1.386   0.403  -1.695
  848    HHC  HEC 201           HC       HEC 104   6.447  -0.479   1.987
  849    HHD  HEC 201           HD       HEC 104  10.059   2.491  -2.276
  850   HMA1  HEC 201          1HMA      HEC 104   0.105   0.915  -4.254
  851   HMA2  HEC 201          2HMA      HEC 104   0.092   2.670  -4.430
  852   HMA3  HEC 201          3HMA      HEC 104   0.137   1.948  -2.823
  853   HAA1  HEC 201          1HAA      HEC 104   2.939   2.089  -6.867
  854   HAA2  HEC 201          2HAA      HEC 104   1.313   2.518  -6.358
  855   HBA1  HEC 201          1HBA      HEC 104   3.329   4.222  -7.430
  856   HBA2  HEC 201          2HBA      HEC 104   3.004   4.733  -5.773
  857   HMB1  HEC 201          1HMB      HEC 104   0.758  -0.824   0.894
  858   HMB2  HEC 201          2HMB      HEC 104   1.288  -1.583  -0.603
  859   HMB3  HEC 201          3HMB      HEC 104   1.761  -2.273   0.938
  860    HAB  HEC 201           HAB      HEC 104   4.711  -1.377   3.045
  861   HBB1  HEC 201          1HBB      HEC 104   1.700  -1.116   2.909
  862   HBB2  HEC 201          2HBB      HEC 104   2.596  -1.563   4.351
  863   HBB3  HEC 201          3HBB      HEC 104   2.634  -2.613   2.939
  864   HMC1  HEC 201          1HMC      HEC 104   8.664  -0.395   2.808
  865   HMC2  HEC 201          2HMC      HEC 104  10.259  -0.327   2.057
  866   HMC3  HEC 201          3HMC      HEC 104   9.076  -1.514   1.508
  867    HAC  HEC 201           HAC      HEC 104  11.044   2.553  -0.303
  868   HBC1  HEC 201          1HBC      HEC 104  12.641   0.991  -0.561
  869   HBC2  HEC 201          2HBC      HEC 104  12.408   0.490   1.114
  870   HBC3  HEC 201          3HBC      HEC 104  11.474  -0.273  -0.173
  871   HMD1  HEC 201          1HMD      HEC 104  10.386   2.428  -5.032
  872   HMD2  HEC 201          2HMD      HEC 104  10.675   3.900  -4.103
  873   HMD3  HEC 201          3HMD      HEC 104  10.084   4.004  -5.763
  874   HAD1  HEC 201          1HAD      HEC 104   8.181   5.518  -5.949
  875   HAD2  HEC 201          2HAD      HEC 104   6.498   5.127  -6.238
  876   HBD1  HEC 201          1HBD      HEC 104   8.628   4.718  -7.994
  877   HBD2  HEC 201          2HBD      HEC 104   8.264   3.112  -7.368
  Start of MODEL   17
    1    H1   THR  -5           1HT      THR  -5 -19.435  -6.505   5.302
    2    H2   THR  -5           2HT      THR  -5 -19.030  -5.067   4.494
    3    H3   THR  -5           3HT      THR  -5 -17.830  -6.220   4.833
    4    HA   THR  -5           HA       THR  -5 -19.923  -7.426   3.364
    5    HB   THR  -5           HB       THR  -5 -19.627  -6.159   1.266
    6    HG1  THR  -5           1HG      THR  -5 -18.576  -3.958   2.498
    7   HG21  THR  -5          1HG2      THR  -5 -20.440  -3.856   2.723
    8   HG22  THR  -5          2HG2      THR  -5 -21.002  -5.269   3.617
    9   HG23  THR  -5          3HG2      THR  -5 -21.464  -5.054   1.929
   10    H    GLU  -4           H        GLU  -4 -17.857  -6.654   1.031
   11    HA   GLU  -4           HA       GLU  -4 -16.367  -9.083   1.170
   12    HB2  GLU  -4           2HB      GLU  -4 -15.818  -6.534  -0.383
   13    HB3  GLU  -4           1HB      GLU  -4 -14.987  -8.066  -0.653
   14    HG2  GLU  -4           2HG      GLU  -4 -17.985  -7.659  -0.866
   15    HG3  GLU  -4           1HG      GLU  -4 -16.878  -7.742  -2.235
   16    H    PHE  -3           H        PHE  -3 -15.659  -5.813   2.291
   17    HA   PHE  -3           HA       PHE  -3 -12.977  -6.730   3.208
   18    HB2  PHE  -3           2HB      PHE  -3 -12.999  -4.628   1.942
   19    HB3  PHE  -3           1HB      PHE  -3 -14.169  -3.944   3.072
   20    HD1  PHE  -3           2HD      PHE  -3 -10.694  -5.232   2.750
   21    HD2  PHE  -3           1HD      PHE  -3 -13.498  -3.090   5.201
   22    HE1  PHE  -3           2HE      PHE  -3  -8.851  -4.542   4.259
   23    HE2  PHE  -3           1HE      PHE  -3 -11.654  -2.401   6.710
   24    HZ   PHE  -3           HZ       PHE  -3  -9.333  -3.130   6.241
   25    H    LYS  -2           H        LYS  -2 -12.612  -7.096   5.343
   26    HA   LYS  -2           HA       LYS  -2 -14.848  -6.768   7.226
   27    HB2  LYS  -2           2HB      LYS  -2 -13.338  -8.797   7.207
   28    HB3  LYS  -2           1HB      LYS  -2 -12.039  -7.758   7.791
   29    HG2  LYS  -2           2HG      LYS  -2 -13.329  -7.196   9.785
   30    HG3  LYS  -2           1HG      LYS  -2 -14.703  -8.127   9.190
   31    HD2  LYS  -2           2HD      LYS  -2 -13.513  -9.504  10.784
   32    HD3  LYS  -2           1HD      LYS  -2 -13.224 -10.164   9.175
   33    HE2  LYS  -2           2HE      LYS  -2 -11.025  -9.342   9.092
   34    HE3  LYS  -2           1HE      LYS  -2 -11.326  -8.144  10.351
   35    HZ1  LYS  -2           3HZ      LYS  -2 -10.752 -10.996  10.594
   36    HZ2  LYS  -2           1HZ      LYS  -2 -11.828 -10.326  11.721
   37    HZ3  LYS  -2           2HZ      LYS  -2 -10.255  -9.700  11.574
   38    H    ALA  -1           H        ALA  -1 -14.906  -5.255   8.888
   39    HA   ALA  -1           HA       ALA  -1 -13.823  -2.747   8.690
   40    HB1  ALA  -1           1HB      ALA  -1 -15.428  -3.237  10.428
   41    HB2  ALA  -1           2HB      ALA  -1 -13.982  -2.594  11.202
   42    HB3  ALA  -1           3HB      ALA  -1 -14.299  -4.328  11.230
   43    H    GLY   1           H        GLY   1 -12.113  -5.628   9.632
   44    HA2  GLY   1           2HA      GLY   1  -9.867  -5.987  10.209
   45    HA3  GLY   1           1HA      GLY   1  -9.544  -4.596   9.174
   46    H    SER   2           H        SER   2  -7.930  -4.919  11.355
   47    HA   SER   2           HA       SER   2  -8.893  -2.777  13.213
   48    HB2  SER   2           2HB      SER   2  -8.769  -5.021  14.312
   49    HB3  SER   2           1HB      SER   2  -7.057  -5.091  13.902
   50    HG   SER   2           HG       SER   2  -6.696  -3.326  15.205
   51    H    ALA   3           H        ALA   3  -7.612  -1.007  13.153
   52    HA   ALA   3           HA       ALA   3  -5.238  -0.923  11.518
   53    HB1  ALA   3           1HB      ALA   3  -4.998   1.387  12.668
   54    HB2  ALA   3           2HB      ALA   3  -6.554   1.020  13.410
   55    HB3  ALA   3           3HB      ALA   3  -6.415   1.115  11.654
   56    H    LYS   4           H        LYS   4  -5.804  -1.609  14.885
   57    HA   LYS   4           HA       LYS   4  -3.310  -0.867  15.995
   58    HB2  LYS   4           2HB      LYS   4  -5.075  -3.241  16.664
   59    HB3  LYS   4           1HB      LYS   4  -3.747  -2.662  17.673
   60    HG2  LYS   4           2HG      LYS   4  -4.866  -0.432  17.797
   61    HG3  LYS   4           1HG      LYS   4  -6.225  -1.099  16.892
   62    HD2  LYS   4           2HD      LYS   4  -6.492  -2.838  18.676
   63    HD3  LYS   4           1HD      LYS   4  -5.234  -2.021  19.604
   64    HE2  LYS   4           2HE      LYS   4  -7.023  -0.914  20.506
   65    HE3  LYS   4           1HE      LYS   4  -6.840   0.088  19.066
   66    HZ1  LYS   4           3HZ      LYS   4  -8.345  -2.184  18.403
   67    HZ2  LYS   4           1HZ      LYS   4  -8.829  -0.558  18.392
   68    HZ3  LYS   4           2HZ      LYS   4  -9.022  -1.489  19.799
   69    H    LYS   5           H        LYS   5  -4.223  -4.078  14.652
   70    HA   LYS   5           HA       LYS   5  -1.545  -5.117  14.854
   71    HB2  LYS   5           2HB      LYS   5  -3.870  -5.961  13.103
   72    HB3  LYS   5           1HB      LYS   5  -2.379  -6.884  13.293
   73    HG2  LYS   5           2HG      LYS   5  -2.794  -6.956  15.759
   74    HG3  LYS   5           1HG      LYS   5  -4.347  -6.166  15.482
   75    HD2  LYS   5           2HD      LYS   5  -4.994  -8.041  13.970
   76    HD3  LYS   5           1HD      LYS   5  -3.476  -8.849  14.370
   77    HE2  LYS   5           2HE      LYS   5  -4.366  -8.365  16.864
   78    HE3  LYS   5           1HE      LYS   5  -5.917  -8.468  16.032
   79    HZ1  LYS   5           3HZ      LYS   5  -3.805 -10.517  16.257
   80    HZ2  LYS   5           1HZ      LYS   5  -4.949 -10.583  15.008
   81    HZ3  LYS   5           2HZ      LYS   5  -5.458 -10.646  16.627
   82    H    GLY   6           H        GLY   6  -3.393  -3.855  12.069
   83    HA2  GLY   6           2HA      GLY   6  -1.256  -4.045  10.189
   84    HA3  GLY   6           1HA      GLY   6  -2.648  -2.976  10.035
   85    H    ALA   7           H        ALA   7  -2.071  -1.598  12.590
   86    HA   ALA   7           HA       ALA   7  -0.505   0.546  11.602
   87    HB1  ALA   7           1HB      ALA   7  -0.298   1.155  14.092
   88    HB2  ALA   7           2HB      ALA   7  -1.255  -0.294  14.404
   89    HB3  ALA   7           3HB      ALA   7  -1.932   1.019  13.442
   90    H    THR   8           H        THR   8   0.437  -2.106  13.805
   91    HA   THR   8           HA       THR   8   3.194  -1.214  13.932
   92    HB   THR   8           HB       THR   8   3.592  -3.326  15.089
   93    HG1  THR   8           1HG      THR   8   2.122  -4.942  15.055
   94   HG21  THR   8          3HG2      THR   8   2.254  -2.914  16.958
   95   HG22  THR   8          1HG2      THR   8   0.839  -2.526  15.979
   96   HG23  THR   8          2HG2      THR   8   2.170  -1.373  16.102
   97    H    LEU   9           H        LEU   9   1.422  -3.655  12.029
   98    HA   LEU   9           HA       LEU   9   3.693  -4.816  10.750
   99    HB2  LEU   9           2HB      LEU   9   1.332  -5.695  10.614
  100    HB3  LEU   9           1HB      LEU   9   0.956  -4.363   9.520
  101    HG   LEU   9           HG       LEU   9   3.073  -5.249   8.209
  102   HD11  LEU   9          1HD1      LEU   9   3.717  -7.429   8.584
  103   HD12  LEU   9          2HD1      LEU   9   2.131  -7.902   9.198
  104   HD13  LEU   9          3HD1      LEU   9   3.243  -6.998  10.228
  105   HD21  LEU   9          3HD2      LEU   9   0.238  -6.194   8.231
  106   HD22  LEU   9          1HD2      LEU   9   1.383  -7.063   7.208
  107   HD23  LEU   9          2HD2      LEU   9   1.125  -5.334   6.971
  108    H    PHE  10           H        PHE  10   1.711  -1.995   9.984
  109    HA   PHE  10           HA       PHE  10   2.971  -1.293   7.516
  110    HB2  PHE  10           2HB      PHE  10   0.826  -0.319   8.434
  111    HB3  PHE  10           1HB      PHE  10   1.796   0.587   9.588
  112    HD1  PHE  10           2HD      PHE  10   1.120   0.082   5.970
  113    HD2  PHE  10           1HD      PHE  10   2.997   2.541   8.948
  114    HE1  PHE  10           2HE      PHE  10   1.536   1.833   4.264
  115    HE2  PHE  10           1HE      PHE  10   3.404   4.289   7.242
  116    HZ   PHE  10           HZ       PHE  10   2.691   3.933   4.904
  117    H    LYS  11           H        LYS  11   3.583  -0.328  10.872
  118    HA   LYS  11           HA       LYS  11   5.796   1.401  10.361
  119    HB2  LYS  11           2HB      LYS  11   4.457   1.163  12.528
  120    HB3  LYS  11           1HB      LYS  11   5.404  -0.292  12.837
  121    HG2  LYS  11           2HG      LYS  11   7.491   1.033  12.661
  122    HG3  LYS  11           1HG      LYS  11   6.528   2.491  12.415
  123    HD2  LYS  11           2HD      LYS  11   5.411   2.047  14.622
  124    HD3  LYS  11           1HD      LYS  11   6.547   0.721  14.874
  125    HE2  LYS  11           2HE      LYS  11   8.419   2.194  14.916
  126    HE3  LYS  11           1HE      LYS  11   7.473   3.532  14.262
  127    HZ1  LYS  11           3HZ      LYS  11   6.990   4.127  16.322
  128    HZ2  LYS  11           1HZ      LYS  11   7.844   2.804  16.948
  129    HZ3  LYS  11           2HZ      LYS  11   6.195   2.645  16.572
  130    H    THR  12           H        THR  12   5.582  -2.079  10.946
  131    HA   THR  12           HA       THR  12   8.415  -2.510  11.174
  132    HB   THR  12           HB       THR  12   7.871  -4.876  10.982
  133    HG1  THR  12           1HG      THR  12   5.704  -3.817   9.664
  134   HG21  THR  12          3HG2      THR  12   5.550  -4.494  12.496
  135   HG22  THR  12          1HG2      THR  12   6.487  -3.021  12.737
  136   HG23  THR  12          2HG2      THR  12   7.200  -4.590  13.111
  137    H    ARG  13           H        ARG  13   6.227  -2.530   8.352
  138    HA   ARG  13           HA       ARG  13   8.655  -2.569   6.662
  139    HB2  ARG  13           2HB      ARG  13   6.446  -4.625   6.457
  140    HB3  ARG  13           1HB      ARG  13   7.678  -4.378   5.221
  141    HG2  ARG  13           2HG      ARG  13   9.429  -4.803   6.974
  142    HG3  ARG  13           1HG      ARG  13   8.134  -5.215   8.098
  143    HD2  ARG  13           2HD      ARG  13   7.355  -6.953   6.456
  144    HD3  ARG  13           1HD      ARG  13   8.797  -6.619   5.499
  145    HE   ARG  13           HE       ARG  13   9.883  -7.159   7.938
  146   HH11  ARG  13          1HH2      ARG  13   7.439  -8.677   6.039
  147   HH12  ARG  13          2HH2      ARG  13   7.779 -10.268   6.632
  148   HH21  ARG  13          1HH1      ARG  13  10.344  -9.229   8.722
  149   HH22  ARG  13          2HH1      ARG  13   9.425 -10.581   8.149
  150    H    CYS  14           H        CYS  14   7.243  -0.295   6.803
  151    HA   CYS  14           HA       CYS  14   6.319   0.064   4.111
  152    HB2  CYS  14           2HB      CYS  14   4.367  -1.161   5.369
  153    HB3  CYS  14           1HB      CYS  14   4.075   0.434   6.061
  154    H    LEU  15           H        LEU  15   5.880   1.342   7.416
  155    HA   LEU  15           HA       LEU  15   5.576   4.060   6.691
  156    HB2  LEU  15           2HB      LEU  15   5.198   3.162   8.983
  157    HB3  LEU  15           1HB      LEU  15   6.940   2.967   9.166
  158    HG   LEU  15           HG       LEU  15   7.105   5.485   8.620
  159   HD11  LEU  15          1HD1      LEU  15   4.145   5.188   9.183
  160   HD12  LEU  15          2HD1      LEU  15   4.901   5.924   7.770
  161   HD13  LEU  15          3HD1      LEU  15   5.001   6.720   9.337
  162   HD21  LEU  15          3HD2      LEU  15   7.452   4.522  10.867
  163   HD22  LEU  15          1HD2      LEU  15   5.715   4.580  11.156
  164   HD23  LEU  15          2HD2      LEU  15   6.627   6.077  10.965
  165    H    GLN  16           H        GLN  16   8.513   2.142   7.162
  166    HA   GLN  16           HA       GLN  16  10.400   4.254   7.107
  167    HB2  GLN  16           2HB      GLN  16  10.626   1.438   6.004
  168    HB3  GLN  16           1HB      GLN  16  11.989   2.531   6.248
  169    HG2  GLN  16           2HG      GLN  16  11.483   2.655   8.648
  170    HG3  GLN  16           1HG      GLN  16  10.092   1.596   8.420
  171   HE21  GLN  16          1HE2      GLN  16  12.203   0.815  10.161
  172   HE22  GLN  16          2HE2      GLN  16  13.023  -0.502   9.471
  173    H    CYS  17           H        CYS  17   8.698   2.625   4.464
  174    HA   CYS  17           HA       CYS  17  10.196   4.254   2.487
  175    HB2  CYS  17           2HB      CYS  17   8.172   2.028   2.155
  176    HB3  CYS  17           1HB      CYS  17   8.944   2.878   0.817
  177    H    HIS  18           H        HIS  18   6.832   3.703   3.565
  178    HA   HIS  18           HA       HIS  18   6.034   6.111   1.986
  179    HB2  HIS  18           2HB      HIS  18   4.446   3.789   3.106
  180    HB3  HIS  18           1HB      HIS  18   3.687   5.233   2.429
  181    HD1  HIS  18           1HD      HIS  18   4.320   5.748  -0.165
  182    HD2  HIS  18           2HD      HIS  18   5.271   1.943   1.239
  183    HE1  HIS  18           1HE      HIS  18   4.668   4.290  -2.216
  184    H    THR  19           H        THR  19   5.697   7.958   3.105
  185    HA   THR  19           HA       THR  19   5.595   7.878   6.047
  186    HB   THR  19           HB       THR  19   5.784  10.295   5.917
  187    HG1  THR  19           1HG      THR  19   4.368  10.129   3.855
  188   HG21  THR  19          3HG2      THR  19   7.498   9.275   3.656
  189   HG22  THR  19          1HG2      THR  19   7.763   8.735   5.314
  190   HG23  THR  19          2HG2      THR  19   7.909  10.444   4.911
  191    H    VAL  20           H        VAL  20   3.417   8.229   3.362
  192    HA   VAL  20           HA       VAL  20   1.090   8.470   3.286
  193    HB   VAL  20           HB       VAL  20   1.003   7.880   6.234
  194   HG11  VAL  20          1HG1      VAL  20  -1.090   6.965   5.751
  195   HG12  VAL  20          2HG1      VAL  20  -0.674   6.648   4.066
  196   HG13  VAL  20          3HG1      VAL  20  -1.012   8.296   4.596
  197   HG21  VAL  20          3HG2      VAL  20   1.872   6.082   3.981
  198   HG22  VAL  20          1HG2      VAL  20   1.022   5.413   5.375
  199   HG23  VAL  20          2HG2      VAL  20   2.562   6.245   5.597
  200    H    GLU  21           H        GLU  21   3.048  10.497   5.051
  201    HA   GLU  21           HA       GLU  21   0.797  12.170   6.036
  202    HB2  GLU  21           2HB      GLU  21   2.782  11.753   7.511
  203    HB3  GLU  21           1HB      GLU  21   3.781  12.613   6.340
  204    HG2  GLU  21           2HG      GLU  21   2.312  14.612   6.606
  205    HG3  GLU  21           1HG      GLU  21   1.416  13.752   7.859
  206    H    LYS  22           H        LYS  22   0.058  13.810   4.775
  207    HA   LYS  22           HA       LYS  22   1.292  14.445   2.248
  208    HB2  LYS  22           2HB      LYS  22  -0.444  16.105   2.012
  209    HB3  LYS  22           1HB      LYS  22  -1.166  14.691   2.781
  210    HG2  LYS  22           2HG      LYS  22  -0.789  15.790   5.010
  211    HG3  LYS  22           1HG      LYS  22  -0.257  17.238   4.152
  212    HD2  LYS  22           2HD      LYS  22  -2.483  17.166   2.911
  213    HD3  LYS  22           1HD      LYS  22  -2.992  15.953   4.086
  214    HE2  LYS  22           2HE      LYS  22  -2.074  18.774   4.707
  215    HE3  LYS  22           1HE      LYS  22  -3.721  18.158   4.837
  216    HZ1  LYS  22           3HZ      LYS  22  -3.185  17.662   6.924
  217    HZ2  LYS  22           1HZ      LYS  22  -1.526  17.889   6.655
  218    HZ3  LYS  22           2HZ      LYS  22  -2.248  16.395   6.290
  219    H    GLY  23           H        GLY  23   1.216  16.061   5.414
  220    HA2  GLY  23           2HA      GLY  23   2.633  18.415   4.622
  221    HA3  GLY  23           1HA      GLY  23   2.550  17.791   6.270
  222    H    GLY  24           H        GLY  24   3.707  15.209   5.625
  223    HA2  GLY  24           2HA      GLY  24   6.486  15.872   5.925
  224    HA3  GLY  24           1HA      GLY  24   5.851  14.248   5.659
  225    HA   PRO  25           HA       PRO  25   7.786  16.144   1.711
  226    HB2  PRO  25           2HB      PRO  25  10.322  15.170   1.846
  227    HB3  PRO  25           1HB      PRO  25   9.860  16.730   2.557
  228    HG2  PRO  25           2HG      PRO  25  10.229  14.085   3.880
  229    HG3  PRO  25           1HG      PRO  25  10.726  15.697   4.420
  230    HD2  PRO  25           2HD      PRO  25   8.488  14.440   5.372
  231    HD3  PRO  25           1HD      PRO  25   8.636  16.209   5.267
  232    H    HIS  26           H        HIS  26   9.536  14.487   0.298
  233    HA   HIS  26           HA       HIS  26   7.896  12.009   0.052
  234    HB2  HIS  26           2HB      HIS  26   8.993  13.861  -1.844
  235    HB3  HIS  26           1HB      HIS  26   9.751  12.290  -2.104
  236    HD1  HIS  26           1HD      HIS  26   6.237  13.713  -1.622
  237    HD2  HIS  26           2HD      HIS  26   8.168  10.561  -3.554
  238    HE1  HIS  26           1HE      HIS  26   4.464  12.506  -2.976
  239    HE2  HIS  26           2HE      HIS  26   5.630  10.590  -4.158
  240    H    LYS  27           H        LYS  27   8.811  10.130   0.730
  241    HA   LYS  27           HA       LYS  27  11.741  10.111   1.258
  242    HB2  LYS  27           2HB      LYS  27   9.579   8.204   2.201
  243    HB3  LYS  27           1HB      LYS  27  11.265   8.165   2.694
  244    HG2  LYS  27           2HG      LYS  27   9.371  10.484   3.163
  245    HG3  LYS  27           1HG      LYS  27   9.850   9.297   4.376
  246    HD2  LYS  27           2HD      LYS  27  12.282   9.996   3.785
  247    HD3  LYS  27           1HD      LYS  27  11.533  11.421   3.065
  248    HE2  LYS  27           2HE      LYS  27  12.072  11.986   5.340
  249    HE3  LYS  27           1HE      LYS  27  10.323  11.784   5.251
  250    HZ1  LYS  27           3HZ      LYS  27  10.744   9.412   5.949
  251    HZ2  LYS  27           1HZ      LYS  27  11.004  10.597   7.136
  252    HZ3  LYS  27           2HZ      LYS  27  12.326   9.895   6.332
  253    H    VAL  28           H        VAL  28  12.027   7.268   1.236
  254    HA   VAL  28           HA       VAL  28  12.799   6.783  -1.414
  255    HB   VAL  28           HB       VAL  28  11.910   4.822   0.720
  256   HG11  VAL  28          1HG1      VAL  28  11.743   3.544  -1.236
  257   HG12  VAL  28          2HG1      VAL  28  13.418   3.273  -0.756
  258   HG13  VAL  28          3HG1      VAL  28  13.044   4.424  -2.038
  259   HG21  VAL  28          3HG2      VAL  28  14.682   4.698   0.157
  260   HG22  VAL  28          1HG2      VAL  28  13.915   5.322   1.618
  261   HG23  VAL  28          2HG2      VAL  28  14.281   6.411   0.280
  262    H    GLY  29           H        GLY  29   9.681   6.039   0.143
  263    HA2  GLY  29           2HA      GLY  29   8.611   5.333  -2.555
  264    HA3  GLY  29           1HA      GLY  29   7.904   4.788  -1.034
  265    HA   PRO  30           HA       PRO  30   6.280   9.084  -2.642
  266    HB2  PRO  30           2HB      PRO  30   3.901   8.153  -3.741
  267    HB3  PRO  30           1HB      PRO  30   5.349   8.594  -4.664
  268    HG2  PRO  30           2HG      PRO  30   4.369   5.916  -3.847
  269    HG3  PRO  30           1HG      PRO  30   5.201   6.418  -5.328
  270    HD2  PRO  30           2HD      PRO  30   6.481   5.078  -3.340
  271    HD3  PRO  30           1HD      PRO  30   7.307   6.279  -4.358
  272    H    ASN  31           H        ASN  31   4.714  10.217  -1.432
  273    HA   ASN  31           HA       ASN  31   3.850   9.055   1.024
  274    HB2  ASN  31           2HB      ASN  31   2.861  11.520  -0.441
  275    HB3  ASN  31           1HB      ASN  31   2.425  11.109   1.219
  276   HD21  ASN  31          1HD2      ASN  31   5.522   9.965   0.851
  277   HD22  ASN  31          2HD2      ASN  31   6.389  11.315   1.402
  278    H    LEU  32           H        LEU  32   1.906   8.055   1.581
  279    HA   LEU  32           HA       LEU  32   0.052   7.463  -0.682
  280    HB2  LEU  32           2HB      LEU  32   1.265   5.614   0.669
  281    HB3  LEU  32           1HB      LEU  32   0.159   6.032   1.973
  282    HG   LEU  32           HG       LEU  32  -1.743   5.713   0.325
  283   HD11  LEU  32          1HD1      LEU  32  -0.871   3.982  -1.525
  284   HD12  LEU  32          2HD1      LEU  32   0.606   4.925  -1.355
  285   HD13  LEU  32          3HD1      LEU  32  -0.894   5.718  -1.828
  286   HD21  LEU  32          3HD2      LEU  32  -1.422   3.134   0.361
  287   HD22  LEU  32          1HD2      LEU  32  -1.458   3.982   1.907
  288   HD23  LEU  32          2HD2      LEU  32   0.084   3.483   1.211
  289    H    HIS  33           H        HIS  33  -1.828   8.653  -0.627
  290    HA   HIS  33           HA       HIS  33  -3.282   8.939   1.902
  291    HB2  HIS  33           2HB      HIS  33  -1.681  10.832   2.000
  292    HB3  HIS  33           1HB      HIS  33  -2.302  11.419   0.457
  293    HD1  HIS  33           1HD      HIS  33  -3.772  10.429   3.849
  294    HD2  HIS  33           2HD      HIS  33  -4.340  13.241   0.820
  295    HE1  HIS  33           1HE      HIS  33  -5.651  11.943   4.620
  296    HE2  HIS  33           2HE      HIS  33  -6.007  13.657   2.783
  297    H    GLY  34           H        GLY  34  -5.416   8.764   1.425
  298    HA2  GLY  34           2HA      GLY  34  -7.393   8.699   0.162
  299    HA3  GLY  34           1HA      GLY  34  -6.797  10.180  -0.592
  300    H    ILE  35           H        ILE  35  -4.631   7.596  -0.927
  301    HA   ILE  35           HA       ILE  35  -4.777   7.570  -3.765
  302    HB   ILE  35           HB       ILE  35  -2.885   6.751  -2.215
  303   HG12  ILE  35          2HG1      ILE  35  -2.440   4.790  -3.963
  304   HG13  ILE  35          1HG1      ILE  35  -3.826   5.519  -4.776
  305   HG21  ILE  35          1HG2      ILE  35  -4.735   5.027  -1.269
  306   HG22  ILE  35          2HG2      ILE  35  -3.009   4.678  -1.247
  307   HG23  ILE  35          3HG2      ILE  35  -4.022   4.022  -2.531
  308   HD11  ILE  35          3HD1      ILE  35  -1.199   6.835  -4.055
  309   HD12  ILE  35          1HD1      ILE  35  -2.626   7.759  -4.526
  310   HD13  ILE  35          2HD1      ILE  35  -1.897   6.622  -5.660
  311    H    PHE  36           H        PHE  36  -6.688   5.914  -1.384
  312    HA   PHE  36           HA       PHE  36  -7.542   3.680  -2.940
  313    HB2  PHE  36           2HB      PHE  36  -8.923   5.250  -0.749
  314    HB3  PHE  36           1HB      PHE  36  -9.562   3.755  -1.428
  315    HD1  PHE  36           1HD      PHE  36  -6.866   5.249   0.587
  316    HD2  PHE  36           2HD      PHE  36  -8.481   1.610  -1.019
  317    HE1  PHE  36           1HE      PHE  36  -5.405   3.936   2.096
  318    HE2  PHE  36           2HE      PHE  36  -7.015   0.295   0.488
  319    HZ   PHE  36           HZ       PHE  36  -5.476   1.458   2.047
  320    H    GLY  37           H        GLY  37  -9.143   3.492  -4.494
  321    HA2  GLY  37           2HA      GLY  37 -10.787   4.162  -6.034
  322    HA3  GLY  37           1HA      GLY  37 -11.143   5.522  -4.967
  323    H    ARG  38           H        ARG  38  -7.866   5.063  -6.007
  324    HA   ARG  38           HA       ARG  38  -8.204   7.157  -8.097
  325    HB2  ARG  38           2HB      ARG  38  -6.144   7.198  -5.874
  326    HB3  ARG  38           1HB      ARG  38  -6.181   8.314  -7.238
  327    HG2  ARG  38           2HG      ARG  38  -8.488   9.001  -6.548
  328    HG3  ARG  38           1HG      ARG  38  -8.318   7.986  -5.116
  329    HD2  ARG  38           2HD      ARG  38  -6.207   9.299  -4.576
  330    HD3  ARG  38           1HD      ARG  38  -6.680  10.419  -5.854
  331    HE   ARG  38           HE       ARG  38  -8.843   9.999  -3.980
  332   HH11  ARG  38          1HH2      ARG  38  -5.837  11.591  -4.535
  333   HH12  ARG  38          2HH2      ARG  38  -6.191  12.917  -3.477
  334   HH21  ARG  38          1HH1      ARG  38  -9.324  11.720  -2.595
  335   HH22  ARG  38          2HH1      ARG  38  -8.166  12.990  -2.380
  336    H    HIS  39           H        HIS  39  -6.336   7.254  -9.589
  337    HA   HIS  39           HA       HIS  39  -5.193   4.552  -9.980
  338    HB2  HIS  39           2HB      HIS  39  -5.255   7.003 -11.765
  339    HB3  HIS  39           1HB      HIS  39  -4.512   5.468 -12.211
  340    HD1  HIS  39           1HD      HIS  39  -7.841   7.105 -11.675
  341    HD2  HIS  39           2HD      HIS  39  -6.361   3.353 -12.741
  342    HE1  HIS  39           1HE      HIS  39  -9.819   5.768 -12.526
  343    HE2  HIS  39           2HE      HIS  39  -8.931   3.484 -13.177
  344    H    SER  40           H        SER  40  -2.875   4.348 -10.478
  345    HA   SER  40           HA       SER  40  -1.211   5.687  -8.585
  346    HB2  SER  40           2HB      SER  40   0.624   4.531  -9.633
  347    HB3  SER  40           1HB      SER  40  -0.764   3.446  -9.676
  348    HG   SER  40           HG       SER  40   0.130   5.153 -11.768
  349    H    GLY  41           H        GLY  41   0.619   7.138  -9.074
  350    HA2  GLY  41           2HA      GLY  41   1.688   8.882 -10.281
  351    HA3  GLY  41           1HA      GLY  41   0.559   8.613 -11.611
  352    H    GLN  42           H        GLN  42  -1.172   8.739  -8.768
  353    HA   GLN  42           HA       GLN  42  -2.542  11.144  -9.426
  354    HB2  GLN  42           2HB      GLN  42  -3.361   9.269  -7.928
  355    HB3  GLN  42           1HB      GLN  42  -2.345   9.955  -6.657
  356    HG2  GLN  42           2HG      GLN  42  -4.504  10.921  -6.352
  357    HG3  GLN  42           1HG      GLN  42  -3.523  12.176  -7.101
  358   HE21  GLN  42          1HE2      GLN  42  -4.889  13.264  -8.538
  359   HE22  GLN  42          2HE2      GLN  42  -5.911  12.507  -9.661
  360    H    ALA  43           H        ALA  43   0.228  10.556  -7.298
  361    HA   ALA  43           HA       ALA  43   0.271  13.047  -5.956
  362    HB1  ALA  43           1HB      ALA  43   2.412  12.476  -5.268
  363    HB2  ALA  43           2HB      ALA  43   2.852  11.818  -6.846
  364    HB3  ALA  43           3HB      ALA  43   1.813  10.893  -5.764
  365    H    GLU  44           H        GLU  44   1.402  12.173  -9.187
  366    HA   GLU  44           HA       GLU  44   2.386  13.516 -10.867
  367    HB2  GLU  44           2HB      GLU  44   0.272  15.378  -9.739
  368    HB3  GLU  44           1HB      GLU  44   1.062  15.574 -11.303
  369    HG2  GLU  44           2HG      GLU  44   0.214  13.332 -11.980
  370    HG3  GLU  44           1HG      GLU  44  -0.642  13.218 -10.441
  371    H    GLY  45           H        GLY  45   3.369  13.847  -7.947
  372    HA2  GLY  45           2HA      GLY  45   4.699  16.501  -8.352
  373    HA3  GLY  45           1HA      GLY  45   4.308  15.853  -6.759
  374    H    TYR  46           H        TYR  46   5.083  13.141  -7.320
  375    HA   TYR  46           HA       TYR  46   8.049  13.504  -7.439
  376    HB2  TYR  46           2HB      TYR  46   7.136  12.683  -5.275
  377    HB3  TYR  46           1HB      TYR  46   6.445  11.294  -6.115
  378    HD1  TYR  46           1HD      TYR  46   9.628  13.010  -5.247
  379    HD2  TYR  46           2HD      TYR  46   7.796   9.420  -6.734
  380    HE1  TYR  46           1HE      TYR  46  11.798  11.822  -5.054
  381    HE2  TYR  46           2HE      TYR  46   9.968   8.233  -6.544
  382    HH   TYR  46           HH       TYR  46  12.224   8.561  -6.302
  383    H    SER  47           H        SER  47   9.183  12.332  -8.953
  384    HA   SER  47           HA       SER  47   7.849  11.235 -11.203
  385    HB2  SER  47           2HB      SER  47  10.662  10.639 -10.245
  386    HB3  SER  47           1HB      SER  47  10.049  10.392 -11.878
  387    HG   SER  47           HG       SER  47  10.822  12.701 -10.582
  388    H    TYR  48           H        TYR  48   7.648   9.036 -11.892
  389    HA   TYR  48           HA       TYR  48   7.619   7.056  -9.647
  390    HB2  TYR  48           2HB      TYR  48   5.739   7.511 -11.952
  391    HB3  TYR  48           1HB      TYR  48   5.864   5.917 -11.213
  392    HD1  TYR  48           1HD      TYR  48   5.378   9.526 -10.315
  393    HD2  TYR  48           2HD      TYR  48   4.614   5.422  -9.302
  394    HE1  TYR  48           1HE      TYR  48   3.884  10.258  -8.475
  395    HE2  TYR  48           2HE      TYR  48   3.124   6.153  -7.461
  396    HH   TYR  48           HH       TYR  48   2.006   7.917  -6.594
  397    H    THR  49           H        THR  49   8.088   4.811 -10.316
  398    HA   THR  49           HA       THR  49  10.310   4.717 -12.191
  399    HB   THR  49           HB       THR  49  10.515   2.409 -11.560
  400    HG1  THR  49           1HG      THR  49   8.518   1.861 -10.040
  401   HG21  THR  49          3HG2      THR  49   9.483   4.081  -9.256
  402   HG22  THR  49          1HG2      THR  49  11.159   3.906  -9.775
  403   HG23  THR  49          2HG2      THR  49  10.312   2.536  -9.058
  404    H    ASP  50           H        ASP  50  10.352   3.295 -14.098
  405    HA   ASP  50           HA       ASP  50   8.181   3.720 -15.874
  406    HB2  ASP  50           2HB      ASP  50  10.406   1.679 -15.943
  407    HB3  ASP  50           1HB      ASP  50   9.298   1.959 -17.283
  408    H    ALA  51           H        ALA  51   8.852   1.114 -13.625
  409    HA   ALA  51           HA       ALA  51   7.209  -0.932 -14.562
  410    HB1  ALA  51           1HB      ALA  51   6.902  -1.572 -12.189
  411    HB2  ALA  51           2HB      ALA  51   7.535  -0.000 -11.698
  412    HB3  ALA  51           3HB      ALA  51   8.575  -1.144 -12.543
  413    H    ASN  52           H        ASN  52   5.977   1.051 -11.872
  414    HA   ASN  52           HA       ASN  52   3.268   0.510 -12.352
  415    HB2  ASN  52           2HB      ASN  52   4.116   1.610 -10.301
  416    HB3  ASN  52           1HB      ASN  52   4.407   3.083 -11.226
  417   HD21  ASN  52          1HD2      ASN  52   1.796   0.929 -10.034
  418   HD22  ASN  52          2HD2      ASN  52   0.558   2.074 -10.227
  419    H    ILE  53           H        ILE  53   5.181   3.251 -13.667
  420    HA   ILE  53           HA       ILE  53   3.018   4.494 -15.013
  421    HB   ILE  53           HB       ILE  53   5.946   4.356 -15.762
  422   HG12  ILE  53          2HG1      ILE  53   5.583   5.293 -13.533
  423   HG13  ILE  53          1HG1      ILE  53   6.011   6.580 -14.649
  424   HG21  ILE  53          1HG2      ILE  53   5.174   5.286 -17.680
  425   HG22  ILE  53          2HG2      ILE  53   4.994   6.737 -16.696
  426   HG23  ILE  53          3HG2      ILE  53   3.610   5.681 -16.971
  427   HD11  ILE  53          3HD1      ILE  53   4.190   7.559 -13.612
  428   HD12  ILE  53          1HD1      ILE  53   3.390   6.013 -13.335
  429   HD13  ILE  53          2HD1      ILE  53   3.368   6.743 -14.938
  430    H    LYS  54           H        LYS  54   5.191   1.872 -16.015
  431    HA   LYS  54           HA       LYS  54   4.236   1.631 -18.695
  432    HB2  LYS  54           2HB      LYS  54   6.281   0.491 -17.788
  433    HB3  LYS  54           1HB      LYS  54   5.224  -0.603 -16.896
  434    HG2  LYS  54           2HG      LYS  54   4.171  -1.299 -19.034
  435    HG3  LYS  54           1HG      LYS  54   5.294  -0.254 -19.906
  436    HD2  LYS  54           2HD      LYS  54   7.191  -1.535 -18.874
  437    HD3  LYS  54           1HD      LYS  54   6.006  -2.648 -18.190
  438    HE2  LYS  54           2HE      LYS  54   6.215  -2.041 -21.151
  439    HE3  LYS  54           1HE      LYS  54   7.005  -3.415 -20.379
  440    HZ1  LYS  54           3HZ      LYS  54   4.783  -4.086 -19.548
  441    HZ2  LYS  54           1HZ      LYS  54   4.922  -4.139 -21.237
  442    HZ3  LYS  54           2HZ      LYS  54   4.093  -2.855 -20.494
  443    H    LYS  55           H        LYS  55   3.098   0.308 -15.624
  444    HA   LYS  55           HA       LYS  55   0.606  -0.584 -17.025
  445    HB2  LYS  55           2HB      LYS  55   2.044  -2.496 -16.239
  446    HB3  LYS  55           1HB      LYS  55   1.878  -1.884 -14.594
  447    HG2  LYS  55           2HG      LYS  55  -0.585  -2.106 -14.773
  448    HG3  LYS  55           1HG      LYS  55  -0.396  -2.766 -16.398
  449    HD2  LYS  55           2HD      LYS  55   1.033  -4.586 -15.426
  450    HD3  LYS  55           1HD      LYS  55   0.649  -3.969 -13.820
  451    HE2  LYS  55           2HE      LYS  55  -0.961  -5.655 -14.130
  452    HE3  LYS  55           1HE      LYS  55  -1.832  -4.190 -14.582
  453    HZ1  LYS  55           3HZ      LYS  55  -0.898  -4.738 -16.922
  454    HZ2  LYS  55           1HZ      LYS  55  -2.269  -5.558 -16.350
  455    HZ3  LYS  55           2HZ      LYS  55  -0.748  -6.313 -16.301
  456    H    ASN  56           H        ASN  56  -0.993   0.794 -16.375
  457    HA   ASN  56           HA       ASN  56  -0.779   2.051 -13.698
  458    HB2  ASN  56           2HB      ASN  56  -1.350   3.322 -15.888
  459    HB3  ASN  56           1HB      ASN  56  -2.954   2.606 -15.711
  460   HD21  ASN  56          1HD2      ASN  56  -1.849   2.877 -12.601
  461   HD22  ASN  56          2HD2      ASN  56  -2.455   4.413 -12.209
  462    H    VAL  57           H        VAL  57  -2.131   1.510 -12.031
  463    HA   VAL  57           HA       VAL  57  -4.410  -0.322 -12.641
  464    HB   VAL  57           HB       VAL  57  -2.492  -1.616 -11.752
  465   HG11  VAL  57          1HG1      VAL  57  -1.981   0.622 -10.262
  466   HG12  VAL  57          2HG1      VAL  57  -1.302  -0.968  -9.919
  467   HG13  VAL  57          3HG1      VAL  57  -2.742  -0.420  -9.060
  468   HG21  VAL  57          3HG2      VAL  57  -3.807  -2.878 -10.311
  469   HG22  VAL  57          1HG2      VAL  57  -5.051  -1.897 -11.087
  470   HG23  VAL  57          2HG2      VAL  57  -4.448  -1.455  -9.490
  471    H    LEU  58           H        LEU  58  -6.229  -0.069 -11.301
  472    HA   LEU  58           HA       LEU  58  -6.438   2.535  -9.966
  473    HB2  LEU  58           2HB      LEU  58  -8.326   1.677 -11.300
  474    HB3  LEU  58           1HB      LEU  58  -8.438   0.266 -10.249
  475    HG   LEU  58           HG       LEU  58  -8.882   1.790  -8.316
  476   HD11  LEU  58          1HD1      LEU  58  -8.298   3.784 -10.406
  477   HD12  LEU  58          2HD1      LEU  58  -8.181   3.921  -8.651
  478   HD13  LEU  58          3HD1      LEU  58  -9.737   4.136  -9.450
  479   HD21  LEU  58          3HD2      LEU  58 -10.945   1.101  -8.972
  480   HD22  LEU  58          1HD2      LEU  58 -10.613   1.421 -10.674
  481   HD23  LEU  58          2HD2      LEU  58 -11.111   2.737  -9.610
  482    H    TRP  59           H        TRP  59  -6.342   2.855  -7.769
  483    HA   TRP  59           HA       TRP  59  -5.766   0.458  -6.118
  484    HB2  TRP  59           2HB      TRP  59  -5.343   3.416  -5.643
  485    HB3  TRP  59           1HB      TRP  59  -5.043   2.182  -4.415
  486    HD1  TRP  59           HD       TRP  59  -3.573   3.731  -7.477
  487    HE1  TRP  59           1HE      TRP  59  -1.338   2.582  -8.060
  488    HE3  TRP  59           3HE      TRP  59  -3.768  -0.216  -4.272
  489    HZ2  TRP  59           2HZ      TRP  59   0.174   0.285  -7.257
  490    HZ3  TRP  59           3HZ      TRP  59  -1.925  -1.858  -4.186
  491    HH2  TRP  59           HH       TRP  59   0.048  -1.617  -5.678
  492    H    ASP  60           H        ASP  60  -7.214  -0.316  -4.756
  493    HA   ASP  60           HA       ASP  60  -9.245   1.404  -3.500
  494    HB2  ASP  60           2HB      ASP  60 -10.213   0.593  -5.710
  495    HB3  ASP  60           1HB      ASP  60 -10.090  -1.047  -5.074
  496    H    GLU  61           H        GLU  61 -10.489   0.000  -1.838
  497    HA   GLU  61           HA       GLU  61  -8.637  -1.370  -0.192
  498    HB2  GLU  61           2HB      GLU  61 -11.658  -1.618  -0.287
  499    HB3  GLU  61           1HB      GLU  61 -10.640  -2.217   1.025
  500    HG2  GLU  61           2HG      GLU  61  -9.789   0.087   1.389
  501    HG3  GLU  61           1HG      GLU  61 -10.871   0.670   0.122
  502    H    ASN  62           H        ASN  62 -10.822  -2.601  -2.687
  503    HA   ASN  62           HA       ASN  62 -10.240  -5.391  -2.098
  504    HB2  ASN  62           2HB      ASN  62 -12.333  -4.602  -3.241
  505    HB3  ASN  62           1HB      ASN  62 -11.353  -4.191  -4.650
  506   HD21  ASN  62          1HD2      ASN  62 -10.844  -5.872  -6.095
  507   HD22  ASN  62          2HD2      ASN  62 -11.189  -7.511  -5.809
  508    H    ASN  63           H        ASN  63  -9.393  -3.288  -4.868
  509    HA   ASN  63           HA       ASN  63  -7.504  -5.113  -5.990
  510    HB2  ASN  63           2HB      ASN  63  -8.539  -3.155  -7.181
  511    HB3  ASN  63           1HB      ASN  63  -7.464  -2.099  -6.258
  512   HD21  ASN  63          1HD2      ASN  63  -5.331  -1.854  -7.031
  513   HD22  ASN  63          2HD2      ASN  63  -4.666  -2.775  -8.292
  514    H    MET  64           H        MET  64  -7.087  -2.410  -3.729
  515    HA   MET  64           HA       MET  64  -4.252  -2.431  -3.669
  516    HB2  MET  64           2HB      MET  64  -5.706  -0.677  -2.633
  517    HB3  MET  64           1HB      MET  64  -6.107  -1.818  -1.349
  518    HG2  MET  64           2HG      MET  64  -3.708  -2.002  -0.775
  519    HG3  MET  64           1HG      MET  64  -3.322  -0.837  -2.042
  520    HE1  MET  64           3HE      MET  64  -4.102   1.350  -2.270
  521    HE2  MET  64           1HE      MET  64  -4.582   2.462  -0.978
  522    HE3  MET  64           2HE      MET  64  -5.779   1.417  -1.735
  523    H    SER  65           H        SER  65  -6.620  -4.424  -1.940
  524    HA   SER  65           HA       SER  65  -4.778  -5.667  -0.139
  525    HB2  SER  65           2HB      SER  65  -6.478  -7.370   0.152
  526    HB3  SER  65           1HB      SER  65  -7.290  -5.815  -0.008
  527    HG   SER  65           HG       SER  65  -8.259  -6.623  -1.675
  528    H    GLU  66           H        GLU  66  -5.666  -6.377  -3.497
  529    HA   GLU  66           HA       GLU  66  -4.337  -8.907  -3.679
  530    HB2  GLU  66           2HB      GLU  66  -4.897  -6.805  -5.793
  531    HB3  GLU  66           1HB      GLU  66  -4.341  -8.441  -6.134
  532    HG2  GLU  66           2HG      GLU  66  -6.346  -9.345  -4.979
  533    HG3  GLU  66           1HG      GLU  66  -6.915  -7.696  -4.717
  534    H    HIS  67           H        HIS  67  -3.212  -5.579  -4.069
  535    HA   HIS  67           HA       HIS  67  -0.652  -6.128  -5.178
  536    HB2  HIS  67           2HB      HIS  67  -1.622  -3.881  -5.053
  537    HB3  HIS  67           1HB      HIS  67  -1.491  -3.909  -3.294
  538    HD1  HIS  67           1HD      HIS  67   0.792  -4.231  -6.331
  539    HD2  HIS  67           2HD      HIS  67   0.927  -2.901  -2.390
  540    HE1  HIS  67           1HE      HIS  67   3.097  -3.235  -5.998
  541    HE2  HIS  67           2HE      HIS  67   3.192  -2.428  -3.593
  542    H    LEU  68           H        LEU  68  -1.698  -5.925  -1.782
  543    HA   LEU  68           HA       LEU  68   0.887  -6.312  -0.635
  544    HB2  LEU  68           2HB      LEU  68  -1.925  -6.766   0.335
  545    HB3  LEU  68           1HB      LEU  68  -0.556  -7.289   1.313
  546    HG   LEU  68           HG       LEU  68   0.317  -5.061   1.450
  547   HD11  LEU  68          1HD1      LEU  68   0.026  -4.202  -0.741
  548   HD12  LEU  68          2HD1      LEU  68  -1.009  -3.191   0.269
  549   HD13  LEU  68          3HD1      LEU  68  -1.713  -4.479  -0.705
  550   HD21  LEU  68          3HD2      LEU  68  -1.442  -5.372   3.038
  551   HD22  LEU  68          1HD2      LEU  68  -2.686  -5.184   1.803
  552   HD23  LEU  68          2HD2      LEU  68  -1.732  -3.792   2.312
  553    H    THR  69           H        THR  69  -1.477  -8.596  -1.925
  554    HA   THR  69           HA       THR  69   0.085 -10.879  -0.899
  555    HB   THR  69           HB       THR  69  -2.242 -10.958  -2.835
  556    HG1  THR  69           1HG      THR  69  -3.349 -11.442  -0.744
  557   HG21  THR  69          3HG2      THR  69  -2.376 -13.220  -2.319
  558   HG22  THR  69          1HG2      THR  69  -1.571 -13.019  -0.764
  559   HG23  THR  69          2HG2      THR  69  -0.633 -12.967  -2.256
  560    H    ASN  70           H        ASN  70   1.649 -11.884  -2.047
  561    HA   ASN  70           HA       ASN  70   3.256 -12.090  -3.773
  562    HB2  ASN  70           2HB      ASN  70   0.576 -12.705  -5.019
  563    HB3  ASN  70           1HB      ASN  70   2.085 -12.911  -5.912
  564   HD21  ASN  70          1HD2      ASN  70  -0.002 -14.845  -4.486
  565   HD22  ASN  70          2HD2      ASN  70   1.018 -15.938  -3.682
  566    HA   PRO  71           HA       PRO  71   2.133  -7.750  -5.447
  567    HB2  PRO  71           2HB      PRO  71   4.621  -6.768  -4.551
  568    HB3  PRO  71           1HB      PRO  71   3.044  -6.462  -3.802
  569    HG2  PRO  71           2HG      PRO  71   5.161  -8.372  -3.035
  570    HG3  PRO  71           1HG      PRO  71   3.968  -7.533  -2.028
  571    HD2  PRO  71           2HD      PRO  71   3.759 -10.177  -2.630
  572    HD3  PRO  71           1HD      PRO  71   2.335  -9.138  -2.387
  573    H    ALA  72           H        ALA  72   4.582 -10.138  -5.658
  574    HA   ALA  72           HA       ALA  72   6.312  -8.967  -7.607
  575    HB1  ALA  72           1HB      ALA  72   6.358 -11.285  -6.217
  576    HB2  ALA  72           2HB      ALA  72   7.317 -11.028  -7.676
  577    HB3  ALA  72           3HB      ALA  72   5.780 -11.888  -7.771
  578    H    LYS  73           H        LYS  73   6.352  -9.337  -9.894
  579    HA   LYS  73           HA       LYS  73   5.431  -9.506 -12.037
  580    HB2  LYS  73           2HB      LYS  73   4.732 -11.797 -11.147
  581    HB3  LYS  73           1HB      LYS  73   3.159 -11.077 -10.804
  582    HG2  LYS  73           2HG      LYS  73   2.972 -10.389 -13.179
  583    HG3  LYS  73           1HG      LYS  73   4.511 -11.184 -13.512
  584    HD2  LYS  73           2HD      LYS  73   3.519 -13.327 -12.661
  585    HD3  LYS  73           1HD      LYS  73   1.965 -12.502 -12.531
  586    HE2  LYS  73           2HE      LYS  73   1.956 -12.042 -14.921
  587    HE3  LYS  73           1HE      LYS  73   3.574 -12.722 -15.090
  588    HZ1  LYS  73           3HZ      LYS  73   1.564 -14.190 -15.637
  589    HZ2  LYS  73           1HZ      LYS  73   1.374 -14.328 -13.959
  590    HZ3  LYS  73           2HZ      LYS  73   2.811 -14.855 -14.696
  591    H    TYR  74           H        TYR  74   3.174  -8.720  -9.415
  592    HA   TYR  74           HA       TYR  74   1.184  -7.438 -11.000
  593    HB2  TYR  74           2HB      TYR  74   0.792  -7.947  -8.657
  594    HB3  TYR  74           1HB      TYR  74   2.111  -6.888  -8.168
  595    HD1  TYR  74           1HD      TYR  74  -1.221  -6.901  -9.874
  596    HD2  TYR  74           2HD      TYR  74   1.761  -4.590  -7.820
  597    HE1  TYR  74           1HE      TYR  74  -2.786  -4.975  -9.754
  598    HE2  TYR  74           2HE      TYR  74   0.200  -2.674  -7.702
  599    HH   TYR  74           HH       TYR  74  -1.854  -1.968  -8.069
  600    H    ILE  75           H        ILE  75   4.043  -6.042  -9.351
  601    HA   ILE  75           HA       ILE  75   4.077  -3.920 -11.429
  602    HB   ILE  75           HB       ILE  75   3.933  -3.499  -8.441
  603   HG12  ILE  75          2HG1      ILE  75   1.923  -3.464 -10.120
  604   HG13  ILE  75          1HG1      ILE  75   2.056  -2.186  -8.920
  605   HG21  ILE  75          1HG2      ILE  75   5.337  -1.860 -10.499
  606   HG22  ILE  75          2HG2      ILE  75   5.679  -2.043  -8.779
  607   HG23  ILE  75          3HG2      ILE  75   4.371  -0.997  -9.304
  608   HD11  ILE  75          3HD1      ILE  75   1.647  -1.633 -11.494
  609   HD12  ILE  75          1HD1      ILE  75   3.405  -1.765 -11.554
  610   HD13  ILE  75          2HD1      ILE  75   2.646  -0.595 -10.477
  611    HA   PRO  76           HA       PRO  76   8.270  -5.593 -10.475
  612    HB2  PRO  76           2HB      PRO  76   8.867  -6.495 -12.957
  613    HB3  PRO  76           1HB      PRO  76   7.900  -7.444 -11.813
  614    HG2  PRO  76           2HG      PRO  76   7.044  -5.918 -14.195
  615    HG3  PRO  76           1HG      PRO  76   6.362  -7.388 -13.486
  616    HD2  PRO  76           2HD      PRO  76   5.357  -4.767 -13.161
  617    HD3  PRO  76           1HD      PRO  76   4.887  -6.194 -12.215
  618    H    GLY  77           H        GLY  77  10.311  -4.629 -11.014
  619    HA2  GLY  77           2HA      GLY  77  11.755  -3.202 -12.306
  620    HA3  GLY  77           1HA      GLY  77  10.339  -2.585 -13.154
  621    H    THR  78           H        THR  78  10.146  -2.804  -9.702
  622    HA   THR  78           HA       THR  78  10.607   0.148  -9.510
  623    HB   THR  78           HB       THR  78   8.192  -0.464  -9.383
  624    HG1  THR  78           1HG      THR  78   8.149   0.373  -6.994
  625   HG21  THR  78          3HG2      THR  78   8.405  -2.689  -8.392
  626   HG22  THR  78          1HG2      THR  78   7.408  -1.669  -7.355
  627   HG23  THR  78          2HG2      THR  78   9.081  -1.996  -6.919
  628    H    LYS  79           H        LYS  79  11.136   0.851  -7.248
  629    HA   LYS  79           HA       LYS  79  13.194  -0.914  -6.142
  630    HB2  LYS  79           2HB      LYS  79  12.202   1.801  -5.223
  631    HB3  LYS  79           1HB      LYS  79  13.650   0.987  -4.632
  632    HG2  LYS  79           2HG      LYS  79  14.533   0.960  -6.975
  633    HG3  LYS  79           1HG      LYS  79  13.134   1.911  -7.474
  634    HD2  LYS  79           2HD      LYS  79  15.120   2.763  -5.345
  635    HD3  LYS  79           1HD      LYS  79  15.144   3.323  -7.018
  636    HE2  LYS  79           2HE      LYS  79  13.801   4.995  -6.264
  637    HE3  LYS  79           1HE      LYS  79  12.527   3.779  -6.315
  638    HZ1  LYS  79           3HZ      LYS  79  12.732   3.353  -4.055
  639    HZ2  LYS  79           1HZ      LYS  79  12.883   5.039  -4.145
  640    HZ3  LYS  79           2HZ      LYS  79  14.267   4.075  -3.947
  641    H    MET  80           H        MET  80   9.949  -0.953  -5.802
  642    HA   MET  80           HA       MET  80   9.752  -1.131  -2.892
  643    HB2  MET  80           2HB      MET  80   7.835  -0.397  -4.272
  644    HB3  MET  80           1HB      MET  80   7.786  -1.983  -5.038
  645    HG2  MET  80           2HG      MET  80   7.056  -3.050  -3.093
  646    HG3  MET  80           1HG      MET  80   7.681  -1.778  -2.043
  647    HE1  MET  80           3HE      MET  80   4.180  -1.118  -4.946
  648    HE2  MET  80           1HE      MET  80   5.524  -2.252  -5.130
  649    HE3  MET  80           2HE      MET  80   5.801  -0.519  -5.279
  650    H    ALA  81           H        ALA  81  10.016  -2.947  -1.676
  651    HA   ALA  81           HA       ALA  81  10.028  -5.591  -3.060
  652    HB1  ALA  81           1HB      ALA  81  12.076  -6.230  -2.139
  653    HB2  ALA  81           2HB      ALA  81  12.005  -4.996  -0.880
  654    HB3  ALA  81           3HB      ALA  81  12.369  -4.539  -2.545
  655    H    PHE  82           H        PHE  82   7.815  -5.366  -1.982
  656    HA   PHE  82           HA       PHE  82   7.923  -5.981   0.933
  657    HB2  PHE  82           2HB      PHE  82   6.404  -4.150   0.175
  658    HB3  PHE  82           1HB      PHE  82   5.527  -5.322  -0.809
  659    HD1  PHE  82           2HD      PHE  82   6.474  -4.434   2.676
  660    HD2  PHE  82           1HD      PHE  82   3.936  -6.816   0.160
  661    HE1  PHE  82           2HE      PHE  82   5.124  -5.083   4.652
  662    HE2  PHE  82           1HE      PHE  82   2.588  -7.467   2.136
  663    HZ   PHE  82           HZ       PHE  82   3.181  -6.599   4.383
  664    H    GLY  83           H        GLY  83   7.385  -8.021   1.654
  665    HA2  GLY  83           2HA      GLY  83   6.999 -10.113  -0.364
  666    HA3  GLY  83           1HA      GLY  83   7.164 -10.367   1.375
  667    H    GLY  84           H        GLY  84   5.228 -11.843   0.253
  668    HA2  GLY  84           2HA      GLY  84   2.674 -10.361   0.397
  669    HA3  GLY  84           1HA      GLY  84   2.861 -12.042  -0.100
  670    H    LEU  85           H        LEU  85   0.909 -11.251   1.791
  671    HA   LEU  85           HA       LEU  85   2.042 -12.174   4.393
  672    HB2  LEU  85           2HB      LEU  85  -0.685 -10.979   3.803
  673    HB3  LEU  85           1HB      LEU  85  -0.005 -11.304   5.399
  674    HG   LEU  85           HG       LEU  85   1.076  -9.342   3.354
  675   HD11  LEU  85          1HD1      LEU  85  -0.189  -8.967   6.085
  676   HD12  LEU  85          2HD1      LEU  85  -0.921  -8.545   4.537
  677   HD13  LEU  85          3HD1      LEU  85   0.505  -7.677   5.104
  678   HD21  LEU  85          3HD2      LEU  85   3.010 -10.095   4.433
  679   HD22  LEU  85          1HD2      LEU  85   2.157 -10.433   5.939
  680   HD23  LEU  85          2HD2      LEU  85   2.517  -8.768   5.486
  681    H    LYS  86           H        LYS  86   1.620 -14.224   5.048
  682    HA   LYS  86           HA       LYS  86   0.233 -16.094   3.376
  683    HB2  LYS  86           2HB      LYS  86   0.888 -16.335   6.329
  684    HB3  LYS  86           1HB      LYS  86   0.551 -17.666   5.220
  685    HG2  LYS  86           2HG      LYS  86   2.521 -17.022   3.867
  686    HG3  LYS  86           1HG      LYS  86   2.871 -15.727   5.013
  687    HD2  LYS  86           2HD      LYS  86   2.824 -17.618   6.803
  688    HD3  LYS  86           1HD      LYS  86   3.036 -18.702   5.427
  689    HE2  LYS  86           2HE      LYS  86   4.989 -17.222   4.730
  690    HE3  LYS  86           1HE      LYS  86   4.854 -16.462   6.316
  691    HZ1  LYS  86           3HZ      LYS  86   5.270 -19.362   5.825
  692    HZ2  LYS  86           1HZ      LYS  86   5.164 -18.618   7.346
  693    HZ3  LYS  86           2HZ      LYS  86   6.471 -18.265   6.319
  694    H    LYS  87           H        LYS  87  -0.697 -14.470   6.409
  695    HA   LYS  87           HA       LYS  87  -3.386 -15.676   6.248
  696    HB2  LYS  87           2HB      LYS  87  -2.138 -13.785   8.256
  697    HB3  LYS  87           1HB      LYS  87  -3.778 -14.421   8.380
  698    HG2  LYS  87           2HG      LYS  87  -2.818 -16.739   8.299
  699    HG3  LYS  87           1HG      LYS  87  -1.206 -16.024   8.367
  700    HD2  LYS  87           2HD      LYS  87  -1.848 -14.888  10.498
  701    HD3  LYS  87           1HD      LYS  87  -3.392 -15.741  10.446
  702    HE2  LYS  87           2HE      LYS  87  -2.330 -17.872  10.662
  703    HE3  LYS  87           1HE      LYS  87  -0.735 -17.184  10.362
  704    HZ1  LYS  87           3HZ      LYS  87  -2.360 -16.256  12.638
  705    HZ2  LYS  87           1HZ      LYS  87  -0.677 -16.194  12.433
  706    HZ3  LYS  87           2HZ      LYS  87  -1.438 -17.678  12.766
  707    H    GLU  88           H        GLU  88  -5.115 -14.680   5.394
  708    HA   GLU  88           HA       GLU  88  -4.844 -12.096   4.098
  709    HB2  GLU  88           2HB      GLU  88  -6.301 -13.946   3.242
  710    HB3  GLU  88           1HB      GLU  88  -7.367 -13.694   4.624
  711    HG2  GLU  88           2HG      GLU  88  -7.665 -11.320   3.915
  712    HG3  GLU  88           1HG      GLU  88  -6.688 -11.655   2.485
  713    H    LYS  89           H        LYS  89  -6.230 -13.247   7.131
  714    HA   LYS  89           HA       LYS  89  -7.830 -11.021   7.818
  715    HB2  LYS  89           2HB      LYS  89  -7.588 -13.194   9.101
  716    HB3  LYS  89           1HB      LYS  89  -6.078 -12.560   9.749
  717    HG2  LYS  89           2HG      LYS  89  -7.302 -10.594  10.639
  718    HG3  LYS  89           1HG      LYS  89  -8.812 -11.281  10.043
  719    HD2  LYS  89           2HD      LYS  89  -8.365 -13.320  11.440
  720    HD3  LYS  89           1HD      LYS  89  -6.973 -12.484  12.130
  721    HE2  LYS  89           2HE      LYS  89  -8.726 -10.575  12.605
  722    HE3  LYS  89           1HE      LYS  89  -9.895 -11.887  12.463
  723    HZ1  LYS  89           3HZ      LYS  89  -7.505 -12.142  14.178
  724    HZ2  LYS  89           1HZ      LYS  89  -8.953 -13.023  14.239
  725    HZ3  LYS  89           2HZ      LYS  89  -8.924 -11.405  14.751
  726    H    ASP  90           H        ASP  90  -4.373 -11.577   8.477
  727    HA   ASP  90           HA       ASP  90  -3.873  -9.108   9.788
  728    HB2  ASP  90           2HB      ASP  90  -2.066 -10.837   8.074
  729    HB3  ASP  90           1HB      ASP  90  -1.500  -9.480   9.045
  730    H    ARG  91           H        ARG  91  -3.925  -9.966   6.357
  731    HA   ARG  91           HA       ARG  91  -2.851  -7.576   5.281
  732    HB2  ARG  91           2HB      ARG  91  -3.398  -9.655   3.987
  733    HB3  ARG  91           1HB      ARG  91  -5.106  -9.234   4.117
  734    HG2  ARG  91           2HG      ARG  91  -4.544  -7.014   3.039
  735    HG3  ARG  91           1HG      ARG  91  -2.932  -7.659   2.721
  736    HD2  ARG  91           2HD      ARG  91  -5.562  -8.790   1.731
  737    HD3  ARG  91           1HD      ARG  91  -4.303  -8.032   0.753
  738    HE   ARG  91           HE       ARG  91  -2.887 -10.052   1.805
  739   HH11  ARG  91          1HH2      ARG  91  -6.122  -9.954   0.589
  740   HH12  ARG  91          2HH2      ARG  91  -6.137 -11.622   0.133
  741   HH21  ARG  91          1HH1      ARG  91  -2.898 -12.227   1.207
  742   HH22  ARG  91          2HH1      ARG  91  -4.315 -12.908   0.480
  743    H    ASN  92           H        ASN  92  -6.196  -8.363   6.231
  744    HA   ASN  92           HA       ASN  92  -7.415  -5.981   5.297
  745    HB2  ASN  92           2HB      ASN  92  -8.098  -7.717   7.685
  746    HB3  ASN  92           1HB      ASN  92  -9.148  -6.464   7.032
  747   HD21  ASN  92          1HD2      ASN  92  -9.252  -6.750   4.391
  748   HD22  ASN  92          2HD2      ASN  92  -9.641  -8.331   3.908
  749    H    ASP  93           H        ASP  93  -5.791  -6.684   8.391
  750    HA   ASP  93           HA       ASP  93  -6.428  -4.204   9.645
  751    HB2  ASP  93           2HB      ASP  93  -4.063  -6.062  10.015
  752    HB3  ASP  93           1HB      ASP  93  -4.498  -4.755  11.107
  753    H    LEU  94           H        LEU  94  -3.715  -5.207   7.571
  754    HA   LEU  94           HA       LEU  94  -2.187  -2.811   7.842
  755    HB2  LEU  94           2HB      LEU  94  -1.345  -4.935   6.833
  756    HB3  LEU  94           1HB      LEU  94  -2.361  -4.628   5.424
  757    HG   LEU  94           HG       LEU  94  -1.185  -2.475   5.064
  758   HD11  LEU  94          1HD1      LEU  94  -0.294  -1.675   7.016
  759   HD12  LEU  94          2HD1      LEU  94   1.128  -2.559   6.466
  760   HD13  LEU  94          3HD1      LEU  94   0.040  -3.287   7.646
  761   HD21  LEU  94          3HD2      LEU  94  -0.058  -5.135   4.842
  762   HD22  LEU  94          1HD2      LEU  94   1.219  -3.938   5.043
  763   HD23  LEU  94          2HD2      LEU  94   0.066  -3.782   3.717
  764    H    ILE  95           H        ILE  95  -4.700  -3.725   5.475
  765    HA   ILE  95           HA       ILE  95  -4.557  -1.244   4.019
  766    HB   ILE  95           HB       ILE  95  -6.917  -3.117   4.318
  767   HG12  ILE  95          2HG1      ILE  95  -4.712  -3.088   2.236
  768   HG13  ILE  95          1HG1      ILE  95  -4.831  -4.253   3.554
  769   HG21  ILE  95          1HG2      ILE  95  -6.206  -1.275   2.024
  770   HG22  ILE  95          2HG2      ILE  95  -7.293  -0.796   3.328
  771   HG23  ILE  95          3HG2      ILE  95  -7.719  -2.145   2.276
  772   HD11  ILE  95          3HD1      ILE  95  -7.280  -4.587   2.592
  773   HD12  ILE  95          1HD1      ILE  95  -5.909  -5.430   1.873
  774   HD13  ILE  95          2HD1      ILE  95  -6.542  -3.969   1.115
  775    H    THR  96           H        THR  96  -6.395  -2.362   6.810
  776    HA   THR  96           HA       THR  96  -8.213  -0.222   7.071
  777    HB   THR  96           HB       THR  96  -6.846  -1.700   9.336
  778    HG1  THR  96           1HG      THR  96  -9.208  -2.359   7.915
  779   HG21  THR  96          3HG2      THR  96  -8.299   0.364   9.797
  780   HG22  THR  96          1HG2      THR  96  -8.753  -1.121  10.631
  781   HG23  THR  96          2HG2      THR  96  -9.655  -0.596   9.209
  782    H    TYR  97           H        TYR  97  -4.842  -0.522   8.205
  783    HA   TYR  97           HA       TYR  97  -4.757   1.904   9.693
  784    HB2  TYR  97           2HB      TYR  97  -2.972   0.172   9.748
  785    HB3  TYR  97           1HB      TYR  97  -2.510   0.624   8.106
  786    HD1  TYR  97           1HD      TYR  97  -2.866   1.935  11.576
  787    HD2  TYR  97           2HD      TYR  97  -1.115   2.495   7.697
  788    HE1  TYR  97           1HE      TYR  97  -1.455   3.766  12.478
  789    HE2  TYR  97           2HE      TYR  97   0.293   4.328   8.595
  790    HH   TYR  97           HH       TYR  97  -0.201   5.629  11.788
  791    H    LEU  98           H        LEU  98  -3.819   1.310   6.276
  792    HA   LEU  98           HA       LEU  98  -3.363   4.097   5.706
  793    HB2  LEU  98           2HB      LEU  98  -4.114   1.811   3.852
  794    HB3  LEU  98           1HB      LEU  98  -3.559   3.397   3.319
  795    HG   LEU  98           HG       LEU  98  -1.982   1.499   5.081
  796   HD11  LEU  98          1HD1      LEU  98  -2.229   1.843   2.171
  797   HD12  LEU  98          2HD1      LEU  98  -1.551   0.499   3.088
  798   HD13  LEU  98          3HD1      LEU  98  -0.566   1.924   2.753
  799   HD21  LEU  98          3HD2      LEU  98  -1.070   3.526   5.663
  800   HD22  LEU  98          1HD2      LEU  98  -1.654   4.321   4.202
  801   HD23  LEU  98          2HD2      LEU  98  -0.209   3.310   4.139
  802    H    LYS  99           H        LYS  99  -6.165   1.986   5.601
  803    HA   LYS  99           HA       LYS  99  -7.985   3.656   4.225
  804    HB2  LYS  99           2HB      LYS  99  -8.352   1.257   5.014
  805    HB3  LYS  99           1HB      LYS  99  -8.649   1.926   6.619
  806    HG2  LYS  99           2HG      LYS  99 -10.463   3.330   5.664
  807    HG3  LYS  99           1HG      LYS  99 -10.209   2.547   4.103
  808    HD2  LYS  99           2HD      LYS  99 -10.695   0.351   5.136
  809    HD3  LYS  99           1HD      LYS  99 -10.992   1.152   6.678
  810    HE2  LYS  99           2HE      LYS  99 -12.879   0.674   4.665
  811    HE3  LYS  99           1HE      LYS  99 -13.086   1.720   6.068
  812    HZ1  LYS  99           3HZ      LYS  99 -12.284   2.445   3.324
  813    HZ2  LYS  99           1HZ      LYS  99 -11.868   3.443   4.630
  814    HZ3  LYS  99           2HZ      LYS  99 -13.502   3.119   4.297
  815    H    LYS 100           H        LYS 100  -7.025   3.571   7.642
  816    HA   LYS 100           HA       LYS 100  -8.869   5.484   8.646
  817    HB2  LYS 100           2HB      LYS 100  -7.375   4.061  10.049
  818    HB3  LYS 100           1HB      LYS 100  -6.001   5.032   9.522
  819    HG2  LYS 100           2HG      LYS 100  -7.138   7.059  10.443
  820    HG3  LYS 100           1HG      LYS 100  -8.412   6.014  11.072
  821    HD2  LYS 100           2HD      LYS 100  -6.637   4.723  12.304
  822    HD3  LYS 100           1HD      LYS 100  -5.476   5.950  11.805
  823    HE2  LYS 100           2HE      LYS 100  -7.262   7.613  12.822
  824    HE3  LYS 100           1HE      LYS 100  -7.770   6.185  13.723
  825    HZ1  LYS 100           3HZ      LYS 100  -5.241   7.655  13.841
  826    HZ2  LYS 100           1HZ      LYS 100  -5.206   5.984  14.126
  827    HZ3  LYS 100           2HZ      LYS 100  -6.167   6.991  15.100
  828    H    ALA 101           H        ALA 101  -5.688   5.879   7.136
  829    HA   ALA 101           HA       ALA 101  -5.376   8.666   7.549
  830    HB1  ALA 101           1HB      ALA 101  -4.277   8.279   5.059
  831    HB2  ALA 101           2HB      ALA 101  -4.274   6.641   5.714
  832    HB3  ALA 101           3HB      ALA 101  -3.453   7.940   6.580
  833    H    THR 102           H        THR 102  -7.297   6.890   5.177
  834    HA   THR 102           HA       THR 102  -7.897   9.159   3.502
  835    HB   THR 102           HB       THR 102  -9.654   7.774   2.564
  836    HG1  THR 102           1HG      THR 102 -10.569   6.209   3.664
  837   HG21  THR 102          3HG2      THR 102  -7.523   7.059   1.812
  838   HG22  THR 102          1HG2      THR 102  -8.350   5.579   2.292
  839   HG23  THR 102          2HG2      THR 102  -7.143   6.299   3.357
  840    H    GLU 103           H        GLU 103  -9.084   8.070   6.580
  841    HA   GLU 103           HA       GLU 103 -11.627   9.424   6.523
  842    HB2  GLU 103           2HB      GLU 103 -11.002   7.640   8.167
  843    HB3  GLU 103           1HB      GLU 103  -9.903   8.786   8.935
  844    HG2  GLU 103           2HG      GLU 103 -11.828  10.327   9.311
  845    HG3  GLU 103           1HG      GLU 103 -12.904   9.100   8.643
  846    HHA  HEC 201           HA       HEC 104   4.536   2.995  -5.733
  847    HHB  HEC 201           HB       HEC 104   0.905   0.166  -1.399
  848    HHC  HEC 201           HC       HEC 104   6.033  -1.028   2.102
  849    HHD  HEC 201           HD       HEC 104   9.673   1.654  -2.320
  850   HMA1  HEC 201          1HMA      HEC 104  -0.464   0.786  -3.824
  851   HMA2  HEC 201          2HMA      HEC 104  -0.311   2.517  -4.127
  852   HMA3  HEC 201          3HMA      HEC 104  -0.234   1.898  -2.476
  853   HAA1  HEC 201          1HAA      HEC 104   2.362   1.626  -6.662
  854   HAA2  HEC 201          2HAA      HEC 104   0.798   2.187  -6.097
  855   HBA1  HEC 201          1HBA      HEC 104   2.907   3.708  -7.289
  856   HBA2  HEC 201          2HBA      HEC 104   2.664   4.290  -5.643
  857   HMB1  HEC 201          1HMB      HEC 104   1.201  -2.519   1.241
  858   HMB2  HEC 201          2HMB      HEC 104   0.292  -1.007   1.202
  859   HMB3  HEC 201          3HMB      HEC 104   0.727  -1.820  -0.299
  860    HAB  HEC 201           HAB      HEC 104   4.278  -1.843   3.205
  861   HBB1  HEC 201          1HBB      HEC 104   1.301  -1.318   3.184
  862   HBB2  HEC 201          2HBB      HEC 104   2.206  -1.807   4.606
  863   HBB3  HEC 201          3HBB      HEC 104   2.109  -2.887   3.222
  864   HMC1  HEC 201          1HMC      HEC 104   8.308  -1.044   2.859
  865   HMC2  HEC 201          2HMC      HEC 104   9.857  -1.136   2.018
  866   HMC3  HEC 201          3HMC      HEC 104   8.547  -2.235   1.579
  867    HAC  HEC 201           HAC      HEC 104  10.721   1.680  -0.390
  868   HBC1  HEC 201          1HBC      HEC 104  12.046  -0.377   1.034
  869   HBC2  HEC 201          2HBC      HEC 104  10.996  -1.171  -0.139
  870   HBC3  HEC 201          3HBC      HEC 104  12.192   0.004  -0.683
  871   HMD1  HEC 201          1HMD      HEC 104  10.316   2.966  -4.210
  872   HMD2  HEC 201          2HMD      HEC 104   9.676   3.090  -5.849
  873   HMD3  HEC 201          3HMD      HEC 104   9.902   1.505  -5.110
  874   HAD1  HEC 201          1HAD      HEC 104   7.946   4.592  -6.123
  875   HAD2  HEC 201          2HAD      HEC 104   6.192   4.525  -6.102
  876   HBD1  HEC 201          1HBD      HEC 104   8.063   2.786  -7.721
  877   HBD2  HEC 201          2HBD      HEC 104   6.329   2.493  -7.584
  Start of MODEL   18
    1    H1   THR  -5           1HT      THR  -5 -20.043  -8.135   5.341
    2    H2   THR  -5           2HT      THR  -5 -18.472  -8.770   5.228
    3    H3   THR  -5           3HT      THR  -5 -19.750  -9.503   4.381
    4    HA   THR  -5           HA       THR  -5 -19.815  -7.914   2.765
    5    HB   THR  -5           HB       THR  -5 -18.889  -5.615   3.149
    6    HG1  THR  -5           1HG      THR  -5 -17.544  -6.581   4.964
    7   HG21  THR  -5          1HG2      THR  -5 -20.786  -4.862   4.295
    8   HG22  THR  -5          2HG2      THR  -5 -20.797  -6.250   5.384
    9   HG23  THR  -5          3HG2      THR  -5 -21.305  -6.442   3.706
   10    H    GLU  -4           H        GLU  -4 -17.913  -6.718   1.506
   11    HA   GLU  -4           HA       GLU  -4 -15.835  -8.634   1.116
   12    HB2  GLU  -4           2HB      GLU  -4 -15.963  -5.707   0.328
   13    HB3  GLU  -4           1HB      GLU  -4 -14.769  -6.857  -0.275
   14    HG2  GLU  -4           2HG      GLU  -4 -16.611  -8.268  -1.166
   15    HG3  GLU  -4           1HG      GLU  -4 -17.775  -7.061  -0.620
   16    H    PHE  -3           H        PHE  -3 -16.028  -5.735   3.116
   17    HA   PHE  -3           HA       PHE  -3 -13.189  -6.110   3.932
   18    HB2  PHE  -3           2HB      PHE  -3 -13.981  -3.820   3.306
   19    HB3  PHE  -3           1HB      PHE  -3 -15.123  -3.885   4.646
   20    HD1  PHE  -3           2HD      PHE  -3 -14.310  -3.984   6.995
   21    HD2  PHE  -3           1HD      PHE  -3 -11.625  -3.468   3.681
   22    HE1  PHE  -3           2HE      PHE  -3 -12.529  -3.235   8.553
   23    HE2  PHE  -3           1HE      PHE  -3  -9.847  -2.719   5.240
   24    HZ   PHE  -3           HZ       PHE  -3 -10.303  -2.602   7.673
   25    H    LYS  -2           H        LYS  -2 -12.755  -7.124   5.842
   26    HA   LYS  -2           HA       LYS  -2 -15.035  -7.731   7.643
   27    HB2  LYS  -2           2HB      LYS  -2 -13.458  -9.550   6.911
   28    HB3  LYS  -2           1HB      LYS  -2 -12.176  -8.727   7.798
   29    HG2  LYS  -2           2HG      LYS  -2 -13.431  -8.948   9.886
   30    HG3  LYS  -2           1HG      LYS  -2 -14.781  -9.682   9.021
   31    HD2  LYS  -2           2HD      LYS  -2 -13.482 -11.463  10.025
   32    HD3  LYS  -2           1HD      LYS  -2 -13.222 -11.513   8.281
   33    HE2  LYS  -2           2HE      LYS  -2 -11.056 -10.661   8.444
   34    HE3  LYS  -2           1HE      LYS  -2 -11.363  -9.900  10.004
   35    HZ1  LYS  -2           3HZ      LYS  -2 -10.098 -11.749  10.535
   36    HZ2  LYS  -2           1HZ      LYS  -2 -10.873 -12.746   9.402
   37    HZ3  LYS  -2           2HZ      LYS  -2 -11.684 -12.288  10.823
   38    H    ALA  -1           H        ALA  -1 -15.272  -6.693   9.585
   39    HA   ALA  -1           HA       ALA  -1 -13.918  -4.350  10.269
   40    HB1  ALA  -1           1HB      ALA  -1 -15.894  -4.807  11.486
   41    HB2  ALA  -1           2HB      ALA  -1 -14.609  -4.954  12.683
   42    HB3  ALA  -1           3HB      ALA  -1 -15.324  -6.402  11.975
   43    H    GLY   1           H        GLY   1 -11.665  -4.629   9.931
   44    HA2  GLY   1           2HA      GLY   1 -10.281  -6.491  11.805
   45    HA3  GLY   1           1HA      GLY   1  -9.567  -5.832  10.335
   46    H    SER   2           H        SER   2  -8.991  -5.659  13.418
   47    HA   SER   2           HA       SER   2  -9.186  -2.847  14.049
   48    HB2  SER   2           2HB      SER   2  -7.858  -3.358  15.966
   49    HB3  SER   2           1HB      SER   2  -8.858  -4.781  15.692
   50    HG   SER   2           HG       SER   2  -6.636  -5.291  16.030
   51    H    ALA   3           H        ALA   3  -7.430  -1.302  14.074
   52    HA   ALA   3           HA       ALA   3  -5.527  -1.743  11.849
   53    HB1  ALA   3           1HB      ALA   3  -7.022   0.423  12.475
   54    HB2  ALA   3           2HB      ALA   3  -5.496   0.533  11.598
   55    HB3  ALA   3           3HB      ALA   3  -5.537   0.829  13.336
   56    H    LYS   4           H        LYS   4  -5.567  -1.999  15.234
   57    HA   LYS   4           HA       LYS   4  -3.005  -1.003  15.948
   58    HB2  LYS   4           2HB      LYS   4  -4.543  -3.366  17.065
   59    HB3  LYS   4           1HB      LYS   4  -3.130  -2.640  17.830
   60    HG2  LYS   4           2HG      LYS   4  -4.334  -0.451  17.886
   61    HG3  LYS   4           1HG      LYS   4  -5.764  -1.261  17.243
   62    HD2  LYS   4           2HD      LYS   4  -5.720  -2.807  19.204
   63    HD3  LYS   4           1HD      LYS   4  -4.374  -1.879  19.866
   64    HE2  LYS   4           2HE      LYS   4  -6.134   0.126  19.348
   65    HE3  LYS   4           1HE      LYS   4  -7.253  -1.187  19.716
   66    HZ1  LYS   4           3HZ      LYS   4  -5.211  -1.320  21.587
   67    HZ2  LYS   4           1HZ      LYS   4  -6.822  -0.859  21.847
   68    HZ3  LYS   4           2HZ      LYS   4  -5.652   0.319  21.484
   69    H    LYS   5           H        LYS   5  -3.939  -4.287  14.857
   70    HA   LYS   5           HA       LYS   5  -1.248  -5.310  14.923
   71    HB2  LYS   5           2HB      LYS   5  -3.664  -6.204  13.319
   72    HB3  LYS   5           1HB      LYS   5  -2.165  -7.122  13.470
   73    HG2  LYS   5           2HG      LYS   5  -2.467  -7.132  15.950
   74    HG3  LYS   5           1HG      LYS   5  -4.023  -6.331  15.731
   75    HD2  LYS   5           2HD      LYS   5  -4.756  -8.236  14.290
   76    HD3  LYS   5           1HD      LYS   5  -3.237  -9.054  14.657
   77    HE2  LYS   5           2HE      LYS   5  -4.487  -8.131  17.097
   78    HE3  LYS   5           1HE      LYS   5  -5.611  -9.128  16.174
   79    HZ1  LYS   5           3HZ      LYS   5  -2.822  -9.997  16.536
   80    HZ2  LYS   5           1HZ      LYS   5  -4.204 -10.933  16.236
   81    HZ3  LYS   5           2HZ      LYS   5  -3.957 -10.253  17.773
   82    H    GLY   6           H        GLY   6  -3.274  -4.136  12.223
   83    HA2  GLY   6           2HA      GLY   6  -1.228  -4.344  10.234
   84    HA3  GLY   6           1HA      GLY   6  -2.668  -3.335  10.109
   85    H    ALA   7           H        ALA   7  -2.058  -1.802  12.541
   86    HA   ALA   7           HA       ALA   7  -0.593   0.333  11.395
   87    HB1  ALA   7           1HB      ALA   7  -0.397   1.166  13.769
   88    HB2  ALA   7           2HB      ALA   7  -1.111  -0.358  14.299
   89    HB3  ALA   7           3HB      ALA   7  -2.042   0.747  13.285
   90    H    THR   8           H        THR   8   0.494  -2.209  13.651
   91    HA   THR   8           HA       THR   8   3.221  -1.236  13.715
   92    HB   THR   8           HB       THR   8   3.713  -3.327  14.861
   93    HG1  THR   8           1HG      THR   8   1.275  -4.435  14.820
   94   HG21  THR   8          3HG2      THR   8   2.709  -2.428  16.655
   95   HG22  THR   8          1HG2      THR   8   1.187  -3.164  16.154
   96   HG23  THR   8          2HG2      THR   8   1.605  -1.540  15.605
   97    H    LEU   9           H        LEU   9   1.462  -3.660  11.804
   98    HA   LEU   9           HA       LEU   9   3.707  -4.801  10.470
   99    HB2  LEU   9           2HB      LEU   9   1.333  -5.651  10.347
  100    HB3  LEU   9           1HB      LEU   9   0.959  -4.294   9.287
  101    HG   LEU   9           HG       LEU   9   3.029  -5.167   7.915
  102   HD11  LEU   9          1HD1      LEU   9   2.155  -7.605   9.490
  103   HD12  LEU   9          2HD1      LEU   9   3.756  -6.864   9.501
  104   HD13  LEU   9          3HD1      LEU   9   3.165  -7.666   8.046
  105   HD21  LEU   9          3HD2      LEU   9   0.186  -5.999   7.977
  106   HD22  LEU   9          1HD2      LEU   9   1.254  -7.037   7.035
  107   HD23  LEU   9          2HD2      LEU   9   1.131  -5.321   6.653
  108    H    PHE  10           H        PHE  10   1.732  -1.953   9.795
  109    HA   PHE  10           HA       PHE  10   2.992  -1.190   7.336
  110    HB2  PHE  10           2HB      PHE  10   0.828  -0.267   8.199
  111    HB3  PHE  10           1HB      PHE  10   1.724   0.580   9.455
  112    HD1  PHE  10           2HD      PHE  10   1.079   0.369   5.819
  113    HD2  PHE  10           1HD      PHE  10   3.063   2.527   8.958
  114    HE1  PHE  10           2HE      PHE  10   1.526   2.239   4.253
  115    HE2  PHE  10           1HE      PHE  10   3.503   4.394   7.392
  116    HZ   PHE  10           HZ       PHE  10   2.742   4.252   5.044
  117    H    LYS  11           H        LYS  11   3.566  -0.284  10.720
  118    HA   LYS  11           HA       LYS  11   5.723   1.519  10.261
  119    HB2  LYS  11           2HB      LYS  11   4.417   1.204  12.416
  120    HB3  LYS  11           1HB      LYS  11   5.357  -0.262  12.681
  121    HG2  LYS  11           2HG      LYS  11   7.448   1.069  12.553
  122    HG3  LYS  11           1HG      LYS  11   6.485   2.534  12.357
  123    HD2  LYS  11           2HD      LYS  11   5.373   2.038  14.543
  124    HD3  LYS  11           1HD      LYS  11   6.469   0.672  14.750
  125    HE2  LYS  11           2HE      LYS  11   7.626   3.372  14.152
  126    HE3  LYS  11           1HE      LYS  11   7.069   3.029  15.790
  127    HZ1  LYS  11           3HZ      LYS  11   9.106   1.544  14.227
  128    HZ2  LYS  11           1HZ      LYS  11   8.444   0.967  15.678
  129    HZ3  LYS  11           2HZ      LYS  11   9.337   2.412  15.669
  130    H    THR  12           H        THR  12   5.672  -1.985  10.805
  131    HA   THR  12           HA       THR  12   8.535  -2.256  10.956
  132    HB   THR  12           HB       THR  12   8.119  -4.649  10.805
  133    HG1  THR  12           1HG      THR  12   5.907  -5.291  10.414
  134   HG21  THR  12          3HG2      THR  12   6.773  -2.859  12.615
  135   HG22  THR  12          1HG2      THR  12   7.451  -4.453  12.941
  136   HG23  THR  12          2HG2      THR  12   5.789  -4.301  12.371
  137    H    ARG  13           H        ARG  13   6.245  -2.537   8.223
  138    HA   ARG  13           HA       ARG  13   8.620  -2.509   6.432
  139    HB2  ARG  13           2HB      ARG  13   6.278  -4.414   6.156
  140    HB3  ARG  13           1HB      ARG  13   7.602  -4.255   5.008
  141    HG2  ARG  13           2HG      ARG  13   8.026  -4.993   7.916
  142    HG3  ARG  13           1HG      ARG  13   7.808  -6.190   6.644
  143    HD2  ARG  13           2HD      ARG  13   9.744  -5.070   5.422
  144    HD3  ARG  13           1HD      ARG  13  10.044  -4.165   6.905
  145    HE   ARG  13           HE       ARG  13   9.913  -6.872   7.655
  146   HH11  ARG  13          1HH2      ARG  13  11.751  -4.800   5.603
  147   HH12  ARG  13          2HH2      ARG  13  13.211  -5.720   5.758
  148   HH21  ARG  13          1HH1      ARG  13  11.808  -8.085   7.872
  149   HH22  ARG  13          2HH1      ARG  13  13.243  -7.579   7.043
  150    H    CYS  14           H        CYS  14   7.245  -0.194   6.753
  151    HA   CYS  14           HA       CYS  14   6.241   0.275   4.097
  152    HB2  CYS  14           2HB      CYS  14   4.326  -0.925   5.479
  153    HB3  CYS  14           1HB      CYS  14   4.080   0.701   6.111
  154    H    LEU  15           H        LEU  15   5.826   1.532   7.426
  155    HA   LEU  15           HA       LEU  15   5.672   4.267   6.713
  156    HB2  LEU  15           2HB      LEU  15   5.224   3.361   8.999
  157    HB3  LEU  15           1HB      LEU  15   6.957   3.113   9.206
  158    HG   LEU  15           HG       LEU  15   7.176   5.637   8.630
  159   HD11  LEU  15          1HD1      LEU  15   5.125   6.914   9.395
  160   HD12  LEU  15          2HD1      LEU  15   4.232   5.397   9.294
  161   HD13  LEU  15          3HD1      LEU  15   4.949   6.099   7.843
  162   HD21  LEU  15          3HD2      LEU  15   5.977   4.563  11.188
  163   HD22  LEU  15          1HD2      LEU  15   6.565   6.218  11.035
  164   HD23  LEU  15          2HD2      LEU  15   7.678   4.865  10.837
  165    H    GLN  16           H        GLN  16   8.511   2.209   7.248
  166    HA   GLN  16           HA       GLN  16  10.490   4.237   7.227
  167    HB2  GLN  16           2HB      GLN  16  10.623   1.400   6.161
  168    HB3  GLN  16           1HB      GLN  16  12.025   2.438   6.425
  169    HG2  GLN  16           2HG      GLN  16  11.467   2.613   8.812
  170    HG3  GLN  16           1HG      GLN  16  10.040   1.609   8.562
  171   HE21  GLN  16          1HE2      GLN  16  12.092   0.776  10.360
  172   HE22  GLN  16          2HE2      GLN  16  12.865  -0.585   9.707
  173    H    CYS  17           H        CYS  17   8.807   2.643   4.550
  174    HA   CYS  17           HA       CYS  17  10.426   4.180   2.599
  175    HB2  CYS  17           2HB      CYS  17   8.321   2.035   2.274
  176    HB3  CYS  17           1HB      CYS  17   9.074   2.875   0.920
  177    H    HIS  18           H        HIS  18   7.022   3.806   3.596
  178    HA   HIS  18           HA       HIS  18   6.358   6.201   1.949
  179    HB2  HIS  18           2HB      HIS  18   4.671   3.986   3.136
  180    HB3  HIS  18           1HB      HIS  18   3.967   5.448   2.435
  181    HD1  HIS  18           1HD      HIS  18   4.725   5.906  -0.168
  182    HD2  HIS  18           2HD      HIS  18   5.290   2.049   1.299
  183    HE1  HIS  18           1HE      HIS  18   4.979   4.398  -2.196
  184    H    THR  19           H        THR  19   5.901   8.098   2.943
  185    HA   THR  19           HA       THR  19   5.779   8.133   5.909
  186    HB   THR  19           HB       THR  19   6.159  10.536   5.703
  187    HG1  THR  19           1HG      THR  19   6.177  11.512   3.717
  188   HG21  THR  19          3HG2      THR  19   7.989   9.402   3.620
  189   HG22  THR  19          1HG2      THR  19   8.015   8.710   5.242
  190   HG23  THR  19          2HG2      THR  19   8.370  10.422   5.009
  191    H    VAL  20           H        VAL  20   3.712   8.062   3.269
  192    HA   VAL  20           HA       VAL  20   1.505   8.863   2.907
  193    HB   VAL  20           HB       VAL  20   0.041   7.999   4.865
  194   HG11  VAL  20          1HG1      VAL  20   1.734   6.549   2.924
  195   HG12  VAL  20          2HG1      VAL  20  -0.011   6.480   3.170
  196   HG13  VAL  20          3HG1      VAL  20   1.063   5.557   4.218
  197   HG21  VAL  20          3HG2      VAL  20   1.870   8.078   6.555
  198   HG22  VAL  20          1HG2      VAL  20   2.736   6.840   5.647
  199   HG23  VAL  20          2HG2      VAL  20   1.184   6.463   6.392
  200    H    GLU  21           H        GLU  21   3.133  10.988   3.989
  201    HA   GLU  21           HA       GLU  21   1.245  12.308   5.887
  202    HB2  GLU  21           2HB      GLU  21   3.673  12.200   6.509
  203    HB3  GLU  21           1HB      GLU  21   4.041  13.163   5.077
  204    HG2  GLU  21           2HG      GLU  21   2.524  14.949   5.935
  205    HG3  GLU  21           1HG      GLU  21   2.280  14.000   7.400
  206    H    LYS  22           H        LYS  22   0.047  14.048   5.188
  207    HA   LYS  22           HA       LYS  22   0.169  14.722   2.336
  208    HB2  LYS  22           2HB      LYS  22  -2.003  14.515   3.560
  209    HB3  LYS  22           1HB      LYS  22  -1.563  15.944   4.501
  210    HG2  LYS  22           2HG      LYS  22  -1.448  17.300   2.485
  211    HG3  LYS  22           1HG      LYS  22  -1.726  15.882   1.474
  212    HD2  LYS  22           2HD      LYS  22  -3.822  17.091   1.713
  213    HD3  LYS  22           1HD      LYS  22  -3.932  15.572   2.599
  214    HE2  LYS  22           2HE      LYS  22  -4.108  16.617   4.605
  215    HE3  LYS  22           1HE      LYS  22  -2.867  17.801   4.197
  216    HZ1  LYS  22           3HZ      LYS  22  -5.048  18.320   2.565
  217    HZ2  LYS  22           1HZ      LYS  22  -4.474  19.261   3.853
  218    HZ3  LYS  22           2HZ      LYS  22  -5.671  18.088   4.129
  219    H    GLY  23           H        GLY  23   0.931  16.629   1.474
  220    HA2  GLY  23           2HA      GLY  23   2.015  18.719   1.397
  221    HA3  GLY  23           1HA      GLY  23   1.524  18.966   3.075
  222    H    GLY  24           H        GLY  24   3.277  16.089   2.202
  223    HA2  GLY  24           2HA      GLY  24   5.694  17.204   3.576
  224    HA3  GLY  24           1HA      GLY  24   5.165  15.531   3.758
  225    HA   PRO  25           HA       PRO  25   8.104  16.088   0.060
  226    HB2  PRO  25           2HB      PRO  25  10.416  15.192   1.171
  227    HB3  PRO  25           1HB      PRO  25   9.922  16.896   1.248
  228    HG2  PRO  25           2HG      PRO  25   9.693  14.766   3.319
  229    HG3  PRO  25           1HG      PRO  25  10.170  16.461   3.493
  230    HD2  PRO  25           2HD      PRO  25   7.656  15.556   4.098
  231    HD3  PRO  25           1HD      PRO  25   7.982  17.214   3.546
  232    H    HIS  26           H        HIS  26   9.420  14.222  -0.939
  233    HA   HIS  26           HA       HIS  26   8.104  11.647  -0.200
  234    HB2  HIS  26           2HB      HIS  26   9.492  12.478  -2.768
  235    HB3  HIS  26           1HB      HIS  26   8.704  10.927  -2.493
  236    HD1  HIS  26           1HD      HIS  26   6.081  10.946  -2.253
  237    HD2  HIS  26           2HD      HIS  26   7.738  14.619  -3.325
  238    HE1  HIS  26           1HE      HIS  26   4.167  12.376  -3.095
  239    HE2  HIS  26           2HE      HIS  26   5.162  14.620  -3.735
  240    H    LYS  27           H        LYS  27   9.372   9.934   0.464
  241    HA   LYS  27           HA       LYS  27  12.308  10.446   0.630
  242    HB2  LYS  27           2HB      LYS  27  10.930   9.945   2.734
  243    HB3  LYS  27           1HB      LYS  27  10.749   8.309   2.102
  244    HG2  LYS  27           2HG      LYS  27  12.646   8.095   3.453
  245    HG3  LYS  27           1HG      LYS  27  13.362   8.394   1.870
  246    HD2  LYS  27           2HD      LYS  27  13.683  10.742   2.392
  247    HD3  LYS  27           1HD      LYS  27  12.796  10.568   3.906
  248    HE2  LYS  27           2HE      LYS  27  14.549   9.544   4.973
  249    HE3  LYS  27           1HE      LYS  27  15.107   8.739   3.506
  250    HZ1  LYS  27           3HZ      LYS  27  15.862  10.946   2.711
  251    HZ2  LYS  27           1HZ      LYS  27  16.683  10.405   4.093
  252    HZ3  LYS  27           2HZ      LYS  27  15.477  11.592   4.235
  253    H    VAL  28           H        VAL  28  12.009   7.273   1.210
  254    HA   VAL  28           HA       VAL  28  13.184   6.454  -1.263
  255    HB   VAL  28           HB       VAL  28  11.780   4.834   0.884
  256   HG11  VAL  28          1HG1      VAL  28  13.060   2.921  -0.115
  257   HG12  VAL  28          2HG1      VAL  28  13.499   3.973  -1.460
  258   HG13  VAL  28          3HG1      VAL  28  11.808   3.557  -1.182
  259   HG21  VAL  28          3HG2      VAL  28  13.844   4.646   1.918
  260   HG22  VAL  28          1HG2      VAL  28  14.017   6.253   1.212
  261   HG23  VAL  28          2HG2      VAL  28  14.734   4.858   0.410
  262    H    GLY  29           H        GLY  29   9.849   6.351  -0.063
  263    HA2  GLY  29           2HA      GLY  29   8.971   5.721  -2.853
  264    HA3  GLY  29           1HA      GLY  29   8.182   5.000  -1.449
  265    HA   PRO  30           HA       PRO  30   6.429   9.303  -2.734
  266    HB2  PRO  30           2HB      PRO  30   4.035   8.335  -3.734
  267    HB3  PRO  30           1HB      PRO  30   5.444   8.750  -4.723
  268    HG2  PRO  30           2HG      PRO  30   4.519   6.089  -3.776
  269    HG3  PRO  30           1HG      PRO  30   5.229   6.555  -5.332
  270    HD2  PRO  30           2HD      PRO  30   6.680   5.285  -3.426
  271    HD3  PRO  30           1HD      PRO  30   7.407   6.487  -4.517
  272    H    ASN  31           H        ASN  31   4.826  10.363  -1.457
  273    HA   ASN  31           HA       ASN  31   4.008   8.933   0.950
  274    HB2  ASN  31           2HB      ASN  31   3.356  11.726  -0.044
  275    HB3  ASN  31           1HB      ASN  31   2.933  11.106   1.549
  276   HD21  ASN  31          1HD2      ASN  31   5.867   9.698   0.716
  277   HD22  ASN  31          2HD2      ASN  31   6.909  10.805   1.466
  278    H    LEU  32           H        LEU  32   2.098   7.828   1.161
  279    HA   LEU  32           HA       LEU  32   0.064   8.176  -0.983
  280    HB2  LEU  32           2HB      LEU  32   0.600   5.983   1.022
  281    HB3  LEU  32           1HB      LEU  32  -0.900   6.052   0.098
  282    HG   LEU  32           HG       LEU  32   0.364   6.012  -2.002
  283   HD11  LEU  32          1HD1      LEU  32   2.684   6.213  -0.103
  284   HD12  LEU  32          2HD1      LEU  32   2.396   7.089  -1.607
  285   HD13  LEU  32          3HD1      LEU  32   2.895   5.402  -1.654
  286   HD21  LEU  32          3HD2      LEU  32   1.377   3.723  -1.747
  287   HD22  LEU  32          1HD2      LEU  32  -0.251   3.852  -1.081
  288   HD23  LEU  32          2HD2      LEU  32   1.146   3.869  -0.005
  289    H    HIS  33           H        HIS  33  -1.880   9.083  -0.563
  290    HA   HIS  33           HA       HIS  33  -3.057   9.075   2.108
  291    HB2  HIS  33           2HB      HIS  33  -1.508  10.957   2.376
  292    HB3  HIS  33           1HB      HIS  33  -2.097  11.684   0.881
  293    HD1  HIS  33           1HD      HIS  33  -4.865  12.094   0.935
  294    HD2  HIS  33           2HD      HIS  33  -2.860  11.901   4.589
  295    HE1  HIS  33           1HE      HIS  33  -6.392  13.168   2.649
  296    HE2  HIS  33           2HE      HIS  33  -5.182  13.056   4.875
  297    H    GLY  34           H        GLY  34  -4.971   8.296   1.272
  298    HA2  GLY  34           2HA      GLY  34  -7.141   8.649   0.349
  299    HA3  GLY  34           1HA      GLY  34  -6.552  10.144  -0.387
  300    H    ILE  35           H        ILE  35  -4.419   7.569  -0.874
  301    HA   ILE  35           HA       ILE  35  -4.638   7.598  -3.697
  302    HB   ILE  35           HB       ILE  35  -2.721   6.678  -2.261
  303   HG12  ILE  35          2HG1      ILE  35  -3.650   4.815  -4.460
  304   HG13  ILE  35          1HG1      ILE  35  -3.017   6.428  -4.791
  305   HG21  ILE  35          1HG2      ILE  35  -4.424   5.143  -1.032
  306   HG22  ILE  35          2HG2      ILE  35  -2.843   4.475  -1.439
  307   HG23  ILE  35          3HG2      ILE  35  -4.247   4.086  -2.432
  308   HD11  ILE  35          3HD1      ILE  35  -0.882   5.895  -3.918
  309   HD12  ILE  35          1HD1      ILE  35  -1.339   4.471  -4.853
  310   HD13  ILE  35          2HD1      ILE  35  -1.487   4.457  -3.095
  311    H    PHE  36           H        PHE  36  -6.539   5.959  -1.308
  312    HA   PHE  36           HA       PHE  36  -7.519   3.796  -2.895
  313    HB2  PHE  36           2HB      PHE  36  -8.818   5.365  -0.648
  314    HB3  PHE  36           1HB      PHE  36  -9.460   3.865  -1.311
  315    HD1  PHE  36           1HD      PHE  36  -6.701   5.385   0.618
  316    HD2  PHE  36           2HD      PHE  36  -8.381   1.731  -0.895
  317    HE1  PHE  36           1HE      PHE  36  -5.197   4.079   2.094
  318    HE2  PHE  36           2HE      PHE  36  -6.871   0.426   0.580
  319    HZ   PHE  36           HZ       PHE  36  -5.280   1.601   2.073
  320    H    GLY  37           H        GLY  37  -9.072   3.761  -4.488
  321    HA2  GLY  37           2HA      GLY  37 -10.749   4.544  -5.947
  322    HA3  GLY  37           1HA      GLY  37 -11.028   5.879  -4.826
  323    H    ARG  38           H        ARG  38  -7.777   5.363  -5.889
  324    HA   ARG  38           HA       ARG  38  -8.056   7.538  -7.908
  325    HB2  ARG  38           2HB      ARG  38  -5.976   7.375  -5.711
  326    HB3  ARG  38           1HB      ARG  38  -5.946   8.535  -7.036
  327    HG2  ARG  38           2HG      ARG  38  -8.199   9.348  -6.316
  328    HG3  ARG  38           1HG      ARG  38  -8.104   8.267  -4.926
  329    HD2  ARG  38           2HD      ARG  38  -5.937   9.410  -4.300
  330    HD3  ARG  38           1HD      ARG  38  -6.272  10.591  -5.567
  331    HE   ARG  38           HE       ARG  38  -8.438  10.231  -3.613
  332   HH11  ARG  38          1HH2      ARG  38  -5.590  11.906  -4.601
  333   HH12  ARG  38          2HH2      ARG  38  -5.948  13.330  -3.681
  334   HH21  ARG  38          1HH1      ARG  38  -8.921  12.080  -2.407
  335   HH22  ARG  38          2HH1      ARG  38  -7.834  13.428  -2.440
  336    H    HIS  39           H        HIS  39  -6.158   7.641  -9.390
  337    HA   HIS  39           HA       HIS  39  -5.198   4.904  -9.984
  338    HB2  HIS  39           2HB      HIS  39  -5.099   7.475 -11.586
  339    HB3  HIS  39           1HB      HIS  39  -4.468   5.927 -12.148
  340    HD1  HIS  39           1HD      HIS  39  -7.683   7.726 -11.397
  341    HD2  HIS  39           2HD      HIS  39  -6.456   4.020 -12.870
  342    HE1  HIS  39           1HE      HIS  39  -9.754   6.604 -12.332
  343    HE2  HIS  39           2HE      HIS  39  -9.019   4.348 -13.232
  344    H    SER  40           H        SER  40  -2.853   4.781 -10.798
  345    HA   SER  40           HA       SER  40  -1.131   5.994  -8.755
  346    HB2  SER  40           2HB      SER  40  -0.890   3.606  -9.530
  347    HB3  SER  40           1HB      SER  40  -0.340   4.222 -11.081
  348    HG   SER  40           HG       SER  40   0.869   5.237  -8.786
  349    H    GLY  41           H        GLY  41   0.574   7.440  -9.173
  350    HA2  GLY  41           2HA      GLY  41   1.974   8.798 -10.578
  351    HA3  GLY  41           1HA      GLY  41   0.903   8.454 -11.934
  352    H    GLN  42           H        GLN  42  -1.224   9.096  -9.591
  353    HA   GLN  42           HA       GLN  42  -1.929  11.670 -10.608
  354    HB2  GLN  42           2HB      GLN  42  -3.487  10.088  -9.429
  355    HB3  GLN  42           1HB      GLN  42  -2.697  10.522  -7.912
  356    HG2  GLN  42           2HG      GLN  42  -3.303  12.873  -8.239
  357    HG3  GLN  42           1HG      GLN  42  -4.035  12.487  -9.797
  358   HE21  GLN  42          1HE2      GLN  42  -5.754  13.649  -8.004
  359   HE22  GLN  42          2HE2      GLN  42  -6.815  12.502  -7.341
  360    H    ALA  43           H        ALA  43  -0.030  10.704  -7.761
  361    HA   ALA  43           HA       ALA  43   0.140  13.269  -6.543
  362    HB1  ALA  43           1HB      ALA  43   2.184  12.411  -5.453
  363    HB2  ALA  43           2HB      ALA  43   2.221  11.062  -6.590
  364    HB3  ALA  43           3HB      ALA  43   0.900  11.201  -5.430
  365    H    GLU  44           H        GLU  44   2.182  11.742  -9.015
  366    HA   GLU  44           HA       GLU  44   3.724  12.659 -10.513
  367    HB2  GLU  44           2HB      GLU  44   2.124  15.178  -9.973
  368    HB3  GLU  44           1HB      GLU  44   3.248  14.946 -11.309
  369    HG2  GLU  44           2HG      GLU  44   1.887  13.020 -12.096
  370    HG3  GLU  44           1HG      GLU  44   0.731  13.337 -10.801
  371    H    GLY  45           H        GLY  45   3.418  14.097  -7.353
  372    HA2  GLY  45           2HA      GLY  45   5.588  15.924  -7.423
  373    HA3  GLY  45           1HA      GLY  45   5.016  15.101  -5.972
  374    H    TYR  46           H        TYR  46   5.499  12.418  -7.015
  375    HA   TYR  46           HA       TYR  46   8.492  12.421  -6.908
  376    HB2  TYR  46           2HB      TYR  46   7.331  11.437  -4.919
  377    HB3  TYR  46           1HB      TYR  46   6.585  10.252  -5.990
  378    HD1  TYR  46           1HD      TYR  46   9.880  11.548  -4.818
  379    HD2  TYR  46           2HD      TYR  46   7.758   8.305  -6.669
  380    HE1  TYR  46           1HE      TYR  46  11.910  10.134  -4.665
  381    HE2  TYR  46           2HE      TYR  46   9.791   6.889  -6.519
  382    HH   TYR  46           HH       TYR  46  12.788   8.024  -6.060
  383    H    SER  47           H        SER  47   9.586  11.210  -8.444
  384    HA   SER  47           HA       SER  47   8.228  10.572 -10.891
  385    HB2  SER  47           2HB      SER  47  10.654  11.155 -10.734
  386    HB3  SER  47           1HB      SER  47  10.946   9.607  -9.948
  387    HG   SER  47           HG       SER  47  10.648  10.181 -12.567
  388    H    TYR  48           H        TYR  48   7.831   8.482 -11.809
  389    HA   TYR  48           HA       TYR  48   7.508   6.329  -9.760
  390    HB2  TYR  48           2HB      TYR  48   5.941   6.977 -12.264
  391    HB3  TYR  48           1HB      TYR  48   5.786   5.436 -11.421
  392    HD1  TYR  48           1HD      TYR  48   5.647   9.136 -10.820
  393    HD2  TYR  48           2HD      TYR  48   4.323   5.232  -9.608
  394    HE1  TYR  48           1HE      TYR  48   4.088  10.167  -9.191
  395    HE2  TYR  48           2HE      TYR  48   2.767   6.264  -7.980
  396    HH   TYR  48           HH       TYR  48   1.965   8.147  -7.147
  397    H    THR  49           H        THR  49   8.159   4.212 -10.314
  398    HA   THR  49           HA       THR  49  10.371   4.068 -12.200
  399    HB   THR  49           HB       THR  49  10.675   1.835 -11.406
  400    HG1  THR  49           1HG      THR  49   9.060   0.623 -10.751
  401   HG21  THR  49          3HG2      THR  49  10.449   2.088  -8.928
  402   HG22  THR  49          1HG2      THR  49   9.500   3.549  -9.201
  403   HG23  THR  49          2HG2      THR  49  11.190   3.490  -9.702
  404    H    ASP  50           H        ASP  50  10.429   2.351 -13.916
  405    HA   ASP  50           HA       ASP  50   8.379   2.670 -15.824
  406    HB2  ASP  50           2HB      ASP  50  10.380   0.434 -15.476
  407    HB3  ASP  50           1HB      ASP  50   9.360   0.617 -16.901
  408    H    ALA  51           H        ALA  51   8.707   0.369 -13.201
  409    HA   ALA  51           HA       ALA  51   6.900  -1.627 -13.904
  410    HB1  ALA  51           1HB      ALA  51   6.999  -2.235 -11.704
  411    HB2  ALA  51           2HB      ALA  51   6.636  -0.611 -11.127
  412    HB3  ALA  51           3HB      ALA  51   8.268  -1.016 -11.649
  413    H    ASN  52           H        ASN  52   5.764   0.869 -11.616
  414    HA   ASN  52           HA       ASN  52   3.027   0.493 -12.218
  415    HB2  ASN  52           2HB      ASN  52   3.913   1.689 -10.209
  416    HB3  ASN  52           1HB      ASN  52   4.308   3.060 -11.245
  417   HD21  ASN  52          1HD2      ASN  52   1.537   1.104 -10.050
  418   HD22  ASN  52          2HD2      ASN  52   0.373   2.308 -10.338
  419    H    ILE  53           H        ILE  53   5.325   2.842 -13.630
  420    HA   ILE  53           HA       ILE  53   3.433   4.274 -15.183
  421    HB   ILE  53           HB       ILE  53   6.331   3.653 -15.815
  422   HG12  ILE  53          2HG1      ILE  53   5.093   6.060 -14.442
  423   HG13  ILE  53          1HG1      ILE  53   5.903   4.743 -13.594
  424   HG21  ILE  53          1HG2      ILE  53   5.169   4.474 -17.775
  425   HG22  ILE  53          2HG2      ILE  53   6.152   5.785 -17.123
  426   HG23  ILE  53          3HG2      ILE  53   4.412   5.759 -16.834
  427   HD11  ILE  53          3HD1      ILE  53   7.263   6.285 -15.808
  428   HD12  ILE  53          1HD1      ILE  53   8.002   5.252 -14.584
  429   HD13  ILE  53          2HD1      ILE  53   7.326   6.815 -14.128
  430    H    LYS  54           H        LYS  54   5.342   1.370 -15.980
  431    HA   LYS  54           HA       LYS  54   4.453   1.080 -18.664
  432    HB2  LYS  54           2HB      LYS  54   6.312  -0.231 -17.614
  433    HB3  LYS  54           1HB      LYS  54   5.106  -1.147 -16.710
  434    HG2  LYS  54           2HG      LYS  54   4.060  -1.846 -18.853
  435    HG3  LYS  54           1HG      LYS  54   5.325  -0.984 -19.730
  436    HD2  LYS  54           2HD      LYS  54   7.027  -2.404 -18.552
  437    HD3  LYS  54           1HD      LYS  54   5.702  -3.332 -17.851
  438    HE2  LYS  54           2HE      LYS  54   6.211  -4.594 -19.751
  439    HE3  LYS  54           1HE      LYS  54   4.906  -3.563 -20.341
  440    HZ1  LYS  54           3HZ      LYS  54   7.821  -3.195 -20.732
  441    HZ2  LYS  54           1HZ      LYS  54   6.683  -1.986 -21.077
  442    HZ3  LYS  54           2HZ      LYS  54   6.637  -3.458 -21.923
  443    H    LYS  55           H        LYS  55   3.024   0.045 -15.599
  444    HA   LYS  55           HA       LYS  55   0.498  -0.538 -17.084
  445    HB2  LYS  55           2HB      LYS  55   1.589  -2.670 -16.450
  446    HB3  LYS  55           1HB      LYS  55   1.637  -2.139 -14.769
  447    HG2  LYS  55           2HG      LYS  55  -0.832  -1.982 -14.753
  448    HG3  LYS  55           1HG      LYS  55  -0.873  -2.538 -16.427
  449    HD2  LYS  55           2HD      LYS  55   0.321  -4.624 -15.692
  450    HD3  LYS  55           1HD      LYS  55   0.151  -4.077 -14.024
  451    HE2  LYS  55           2HE      LYS  55  -2.365  -3.892 -14.515
  452    HE3  LYS  55           1HE      LYS  55  -2.032  -4.828 -15.973
  453    HZ1  LYS  55           3HZ      LYS  55  -2.682  -6.195 -14.037
  454    HZ2  LYS  55           1HZ      LYS  55  -1.278  -5.686 -13.235
  455    HZ3  LYS  55           2HZ      LYS  55  -1.155  -6.599 -14.662
  456    H    ASN  56           H        ASN  56  -1.076   0.793 -16.326
  457    HA   ASN  56           HA       ASN  56  -0.737   1.949 -13.604
  458    HB2  ASN  56           2HB      ASN  56  -1.083   3.491 -15.573
  459    HB3  ASN  56           1HB      ASN  56  -2.699   2.800 -15.749
  460   HD21  ASN  56          1HD2      ASN  56  -0.656   4.105 -13.068
  461   HD22  ASN  56          2HD2      ASN  56  -1.917   4.963 -12.323
  462    H    VAL  57           H        VAL  57  -2.194   1.502 -12.003
  463    HA   VAL  57           HA       VAL  57  -4.588  -0.132 -12.731
  464    HB   VAL  57           HB       VAL  57  -2.812  -1.585 -11.822
  465   HG11  VAL  57          1HG1      VAL  57  -3.039  -0.196  -9.177
  466   HG12  VAL  57          2HG1      VAL  57  -1.971   0.493 -10.398
  467   HG13  VAL  57          3HG1      VAL  57  -1.708  -1.154  -9.826
  468   HG21  VAL  57          3HG2      VAL  57  -5.192  -2.073 -11.310
  469   HG22  VAL  57          1HG2      VAL  57  -5.071  -1.085  -9.856
  470   HG23  VAL  57          2HG2      VAL  57  -4.133  -2.570  -9.992
  471    H    LEU  58           H        LEU  58  -6.423   0.219 -11.419
  472    HA   LEU  58           HA       LEU  58  -6.522   2.824 -10.104
  473    HB2  LEU  58           2HB      LEU  58  -8.459   1.993 -11.379
  474    HB3  LEU  58           1HB      LEU  58  -8.594   0.610 -10.292
  475    HG   LEU  58           HG       LEU  58  -8.957   2.188  -8.388
  476   HD11  LEU  58          1HD1      LEU  58  -9.735   4.546  -9.526
  477   HD12  LEU  58          2HD1      LEU  58  -8.356   4.121 -10.539
  478   HD13  LEU  58          3HD1      LEU  58  -8.154   4.276  -8.793
  479   HD21  LEU  58          3HD2      LEU  58 -11.147   3.209  -9.759
  480   HD22  LEU  58          1HD2      LEU  58 -11.077   1.646  -8.941
  481   HD23  LEU  58          2HD2      LEU  58 -10.733   1.754 -10.668
  482    H    TRP  59           H        TRP  59  -6.372   3.195  -7.924
  483    HA   TRP  59           HA       TRP  59  -5.780   0.859  -6.217
  484    HB2  TRP  59           2HB      TRP  59  -5.429   3.841  -5.870
  485    HB3  TRP  59           1HB      TRP  59  -5.165   2.699  -4.552
  486    HD1  TRP  59           HD       TRP  59  -3.471   4.196  -7.474
  487    HE1  TRP  59           1HE      TRP  59  -1.249   2.977  -7.955
  488    HE3  TRP  59           3HE      TRP  59  -4.035   0.127  -4.462
  489    HZ2  TRP  59           2HZ      TRP  59   0.104   0.579  -7.170
  490    HZ3  TRP  59           3HZ      TRP  59  -2.273  -1.598  -4.338
  491    HH2  TRP  59           HH       TRP  59  -0.201  -1.382  -5.687
  492    H    ASP  60           H        ASP  60  -7.227   0.069  -4.837
  493    HA   ASP  60           HA       ASP  60  -9.355   1.775  -3.708
  494    HB2  ASP  60           2HB      ASP  60 -10.229   0.755  -5.865
  495    HB3  ASP  60           1HB      ASP  60 -10.028  -0.826  -5.111
  496    H    GLU  61           H        GLU  61 -10.572   0.444  -1.981
  497    HA   GLU  61           HA       GLU  61  -8.715  -0.698  -0.172
  498    HB2  GLU  61           2HB      GLU  61 -11.713  -1.139  -0.332
  499    HB3  GLU  61           1HB      GLU  61 -10.704  -1.496   1.070
  500    HG2  GLU  61           2HG      GLU  61 -11.039   1.244  -0.190
  501    HG3  GLU  61           1HG      GLU  61 -11.823   0.704   1.293
  502    H    ASN  62           H        ASN  62 -10.856  -2.249  -2.556
  503    HA   ASN  62           HA       ASN  62 -10.041  -4.934  -1.751
  504    HB2  ASN  62           2HB      ASN  62 -11.612  -5.679  -3.259
  505    HB3  ASN  62           1HB      ASN  62 -12.225  -4.046  -3.015
  506   HD21  ASN  62          1HD2      ASN  62 -11.470  -6.204  -5.437
  507   HD22  ASN  62          2HD2      ASN  62 -11.131  -5.110  -6.688
  508    H    ASN  63           H        ASN  63  -9.382  -2.828  -4.567
  509    HA   ASN  63           HA       ASN  63  -7.581  -4.599  -5.875
  510    HB2  ASN  63           2HB      ASN  63  -8.567  -2.474  -6.834
  511    HB3  ASN  63           1HB      ASN  63  -7.394  -1.577  -5.868
  512   HD21  ASN  63          1HD2      ASN  63  -5.399  -1.224  -6.854
  513   HD22  ASN  63          2HD2      ASN  63  -4.797  -2.104  -8.174
  514    H    MET  64           H        MET  64  -7.046  -2.170  -3.354
  515    HA   MET  64           HA       MET  64  -4.206  -2.267  -3.330
  516    HB2  MET  64           2HB      MET  64  -5.654  -0.604  -2.099
  517    HB3  MET  64           1HB      MET  64  -5.999  -1.871  -0.921
  518    HG2  MET  64           2HG      MET  64  -4.177  -0.730   0.039
  519    HG3  MET  64           1HG      MET  64  -3.416  -2.109  -0.751
  520    HE1  MET  64           3HE      MET  64  -4.783   1.209  -1.005
  521    HE2  MET  64           1HE      MET  64  -4.450   1.658  -2.684
  522    HE3  MET  64           2HE      MET  64  -3.402   2.232  -1.390
  523    H    SER  65           H        SER  65  -6.624  -4.307  -1.711
  524    HA   SER  65           HA       SER  65  -4.801  -5.787  -0.088
  525    HB2  SER  65           2HB      SER  65  -6.564  -7.442   0.087
  526    HB3  SER  65           1HB      SER  65  -7.309  -5.846   0.093
  527    HG   SER  65           HG       SER  65  -6.976  -7.507  -2.192
  528    H    GLU  66           H        GLU  66  -5.728  -6.130  -3.486
  529    HA   GLU  66           HA       GLU  66  -4.533  -8.706  -3.900
  530    HB2  GLU  66           2HB      GLU  66  -5.047  -6.417  -5.821
  531    HB3  GLU  66           1HB      GLU  66  -4.572  -8.042  -6.308
  532    HG2  GLU  66           2HG      GLU  66  -6.586  -8.954  -5.177
  533    HG3  GLU  66           1HG      GLU  66  -7.076  -7.308  -4.769
  534    H    HIS  67           H        HIS  67  -3.264  -5.406  -4.047
  535    HA   HIS  67           HA       HIS  67  -0.763  -5.963  -5.275
  536    HB2  HIS  67           2HB      HIS  67  -1.714  -3.698  -4.807
  537    HB3  HIS  67           1HB      HIS  67  -1.324  -3.923  -3.104
  538    HD1  HIS  67           1HD      HIS  67   0.533  -4.190  -6.427
  539    HD2  HIS  67           2HD      HIS  67   1.166  -2.877  -2.529
  540    HE1  HIS  67           1HE      HIS  67   2.880  -3.243  -6.371
  541    HE2  HIS  67           2HE      HIS  67   3.275  -2.435  -4.003
  542    H    LEU  68           H        LEU  68  -1.720  -6.033  -1.856
  543    HA   LEU  68           HA       LEU  68   0.881  -6.751  -0.853
  544    HB2  LEU  68           2HB      LEU  68  -1.922  -6.955   0.244
  545    HB3  LEU  68           1HB      LEU  68  -0.537  -7.569   1.141
  546    HG   LEU  68           HG       LEU  68   0.471  -5.410   1.270
  547   HD11  LEU  68          1HD1      LEU  68   0.142  -4.597  -0.969
  548   HD12  LEU  68          2HD1      LEU  68  -0.628  -3.440   0.115
  549   HD13  LEU  68          3HD1      LEU  68  -1.610  -4.602  -0.772
  550   HD21  LEU  68          3HD2      LEU  68  -1.248  -5.555   2.908
  551   HD22  LEU  68          1HD2      LEU  68  -2.520  -5.329   1.707
  552   HD23  LEU  68          2HD2      LEU  68  -1.476  -3.979   2.147
  553    H    THR  69           H        THR  69  -1.749  -8.602  -2.246
  554    HA   THR  69           HA       THR  69  -0.727 -11.156  -1.252
  555    HB   THR  69           HB       THR  69  -2.716 -10.678  -3.484
  556    HG1  THR  69           1HG      THR  69  -4.183 -11.109  -1.628
  557   HG21  THR  69          3HG2      THR  69  -3.535 -12.923  -2.718
  558   HG22  THR  69          1HG2      THR  69  -2.139 -13.016  -1.646
  559   HG23  THR  69          2HG2      THR  69  -1.907 -12.961  -3.394
  560    H    ASN  70           H        ASN  70   0.810 -12.365  -2.190
  561    HA   ASN  70           HA       ASN  70   2.648 -12.751  -3.652
  562    HB2  ASN  70           2HB      ASN  70   0.453 -14.044  -4.348
  563    HB3  ASN  70           1HB      ASN  70   0.552 -13.010  -5.773
  564   HD21  ASN  70          1HD2      ASN  70   1.013 -15.937  -5.712
  565   HD22  ASN  70          2HD2      ASN  70   2.612 -16.179  -6.229
  566    HA   PRO  71           HA       PRO  71   2.306  -8.508  -5.760
  567    HB2  PRO  71           2HB      PRO  71   4.652  -7.561  -4.606
  568    HB3  PRO  71           1HB      PRO  71   3.018  -7.229  -4.001
  569    HG2  PRO  71           2HG      PRO  71   5.021  -9.203  -3.053
  570    HG3  PRO  71           1HG      PRO  71   3.851  -8.243  -2.132
  571    HD2  PRO  71           2HD      PRO  71   3.467 -10.884  -2.650
  572    HD3  PRO  71           1HD      PRO  71   2.118  -9.735  -2.515
  573    H    ALA  72           H        ALA  72   3.332  -8.267  -7.733
  574    HA   ALA  72           HA       ALA  72   5.982  -8.587  -8.425
  575    HB1  ALA  72           1HB      ALA  72   4.635 -11.195  -8.011
  576    HB2  ALA  72           2HB      ALA  72   6.349 -10.787  -7.913
  577    HB3  ALA  72           3HB      ALA  72   5.593 -11.055  -9.484
  578    H    LYS  73           H        LYS  73   3.669 -10.675 -10.072
  579    HA   LYS  73           HA       LYS  73   3.974  -9.427 -12.597
  580    HB2  LYS  73           2HB      LYS  73   1.616 -10.994 -11.502
  581    HB3  LYS  73           1HB      LYS  73   1.858 -10.602 -13.205
  582    HG2  LYS  73           2HG      LYS  73   4.051 -11.793 -13.128
  583    HG3  LYS  73           1HG      LYS  73   3.700 -12.266 -11.466
  584    HD2  LYS  73           2HD      LYS  73   1.607 -13.373 -12.270
  585    HD3  LYS  73           1HD      LYS  73   2.087 -12.997 -13.926
  586    HE2  LYS  73           2HE      LYS  73   3.363 -14.847 -13.967
  587    HE3  LYS  73           1HE      LYS  73   4.327 -14.202 -12.640
  588    HZ1  LYS  73           3HZ      LYS  73   3.068 -16.432 -12.355
  589    HZ2  LYS  73           1HZ      LYS  73   1.722 -15.439 -12.072
  590    HZ3  LYS  73           2HZ      LYS  73   3.093 -15.312 -11.078
  591    H    TYR  74           H        TYR  74   1.912  -8.652  -9.882
  592    HA   TYR  74           HA       TYR  74  -0.027  -7.013 -11.104
  593    HB2  TYR  74           2HB      TYR  74  -0.059  -7.642  -8.727
  594    HB3  TYR  74           1HB      TYR  74   1.375  -6.660  -8.438
  595    HD1  TYR  74           1HD      TYR  74  -2.219  -6.537  -9.393
  596    HD2  TYR  74           2HD      TYR  74   1.238  -4.303  -8.178
  597    HE1  TYR  74           1HE      TYR  74  -3.647  -4.550  -8.975
  598    HE2  TYR  74           2HE      TYR  74  -0.180  -2.320  -7.769
  599    HH   TYR  74           HH       TYR  74  -2.213  -1.497  -7.775
  600    H    ILE  75           H        ILE  75   3.166  -6.029  -9.794
  601    HA   ILE  75           HA       ILE  75   3.385  -3.994 -11.907
  602    HB   ILE  75           HB       ILE  75   3.122  -3.312  -8.971
  603   HG12  ILE  75          2HG1      ILE  75   1.089  -3.148 -10.347
  604   HG13  ILE  75          1HG1      ILE  75   1.619  -1.551  -9.844
  605   HG21  ILE  75          1HG2      ILE  75   4.947  -1.982  -9.245
  606   HG22  ILE  75          2HG2      ILE  75   3.810  -0.936 -10.090
  607   HG23  ILE  75          3HG2      ILE  75   4.843  -2.029 -11.006
  608   HD11  ILE  75          3HD1      ILE  75   1.514  -2.742 -12.554
  609   HD12  ILE  75          1HD1      ILE  75   2.953  -1.783 -12.210
  610   HD13  ILE  75          2HD1      ILE  75   1.354  -1.058 -12.057
  611    HA   PRO  76           HA       PRO  76   7.352  -5.948 -10.524
  612    HB2  PRO  76           2HB      PRO  76   8.012  -7.116 -12.882
  613    HB3  PRO  76           1HB      PRO  76   6.922  -7.884 -11.712
  614    HG2  PRO  76           2HG      PRO  76   6.295  -6.493 -14.252
  615    HG3  PRO  76           1HG      PRO  76   5.499  -7.880 -13.494
  616    HD2  PRO  76           2HD      PRO  76   4.572  -5.240 -13.405
  617    HD3  PRO  76           1HD      PRO  76   4.060  -6.546 -12.317
  618    H    GLY  77           H        GLY  77   9.481  -5.186 -10.995
  619    HA2  GLY  77           2HA      GLY  77  11.067  -4.066 -12.499
  620    HA3  GLY  77           1HA      GLY  77   9.707  -3.198 -13.204
  621    H    THR  78           H        THR  78   9.567  -3.477  -9.791
  622    HA   THR  78           HA       THR  78  10.692  -0.717  -9.502
  623    HB   THR  78           HB       THR  78   8.166  -0.822  -9.385
  624    HG1  THR  78           1HG      THR  78   9.152   0.856  -8.366
  625   HG21  THR  78          3HG2      THR  78   8.710  -2.281  -6.789
  626   HG22  THR  78          1HG2      THR  78   8.096  -3.055  -8.249
  627   HG23  THR  78          2HG2      THR  78   7.136  -1.820  -7.432
  628    H    LYS  79           H        LYS  79  11.576  -0.257  -7.369
  629    HA   LYS  79           HA       LYS  79  12.940  -2.599  -6.255
  630    HB2  LYS  79           2HB      LYS  79  14.217  -0.963  -4.960
  631    HB3  LYS  79           1HB      LYS  79  14.139  -0.466  -6.650
  632    HG2  LYS  79           2HG      LYS  79  12.182   0.997  -6.064
  633    HG3  LYS  79           1HG      LYS  79  12.453   0.594  -4.367
  634    HD2  LYS  79           2HD      LYS  79  14.803   1.450  -4.603
  635    HD3  LYS  79           1HD      LYS  79  14.396   1.990  -6.231
  636    HE2  LYS  79           2HE      LYS  79  13.280   3.802  -5.462
  637    HE3  LYS  79           1HE      LYS  79  12.447   2.865  -4.223
  638    HZ1  LYS  79           3HZ      LYS  79  15.205   3.950  -4.086
  639    HZ2  LYS  79           1HZ      LYS  79  14.543   2.898  -2.934
  640    HZ3  LYS  79           2HZ      LYS  79  13.866   4.439  -3.163
  641    H    MET  80           H        MET  80   9.921  -1.481  -5.698
  642    HA   MET  80           HA       MET  80   9.729  -1.091  -2.904
  643    HB2  MET  80           2HB      MET  80   7.801  -0.780  -4.390
  644    HB3  MET  80           1HB      MET  80   7.771  -2.510  -4.737
  645    HG2  MET  80           2HG      MET  80   6.956  -3.062  -2.646
  646    HG3  MET  80           1HG      MET  80   7.684  -1.653  -1.876
  647    HE1  MET  80           3HE      MET  80   4.833  -2.851  -1.437
  648    HE2  MET  80           1HE      MET  80   4.554  -3.263  -3.134
  649    HE3  MET  80           2HE      MET  80   3.494  -2.120  -2.313
  650    H    ALA  81           H        ALA  81   9.847  -4.107  -4.771
  651    HA   ALA  81           HA       ALA  81   9.828  -6.354  -3.989
  652    HB1  ALA  81           1HB      ALA  81  11.849  -6.478  -2.248
  653    HB2  ALA  81           2HB      ALA  81  12.128  -4.844  -2.850
  654    HB3  ALA  81           3HB      ALA  81  12.119  -6.209  -3.970
  655    H    PHE  82           H        PHE  82   7.711  -6.035  -2.836
  656    HA   PHE  82           HA       PHE  82   8.029  -5.988   0.133
  657    HB2  PHE  82           2HB      PHE  82   6.433  -4.351  -0.833
  658    HB3  PHE  82           1HB      PHE  82   5.516  -5.682  -1.538
  659    HD1  PHE  82           2HD      PHE  82   6.626  -4.149   1.663
  660    HD2  PHE  82           1HD      PHE  82   4.027  -7.011  -0.212
  661    HE1  PHE  82           2HE      PHE  82   5.396  -4.433   3.797
  662    HE2  PHE  82           1HE      PHE  82   2.799  -7.295   1.923
  663    HZ   PHE  82           HZ       PHE  82   3.480  -6.005   3.929
  664    H    GLY  83           H        GLY  83   7.673  -7.854   1.261
  665    HA2  GLY  83           2HA      GLY  83   7.262 -10.336  -0.171
  666    HA3  GLY  83           1HA      GLY  83   7.333 -10.161   1.583
  667    H    GLY  84           H        GLY  84   5.379 -11.549  -0.361
  668    HA2  GLY  84           2HA      GLY  84   2.858 -10.146   0.000
  669    HA3  GLY  84           1HA      GLY  84   3.043 -11.802  -0.581
  670    H    LEU  85           H        LEU  85   1.153 -10.761   1.448
  671    HA   LEU  85           HA       LEU  85   2.158 -12.029   3.939
  672    HB2  LEU  85           2HB      LEU  85  -0.469 -10.594   3.440
  673    HB3  LEU  85           1HB      LEU  85   0.210 -11.038   5.007
  674    HG   LEU  85           HG       LEU  85   1.411  -9.080   3.025
  675   HD11  LEU  85          1HD1      LEU  85   0.261  -8.690   5.805
  676   HD12  LEU  85          2HD1      LEU  85  -0.524  -8.213   4.300
  677   HD13  LEU  85          3HD1      LEU  85   0.976  -7.430   4.798
  678   HD21  LEU  85          3HD2      LEU  85   2.928  -8.706   5.141
  679   HD22  LEU  85          1HD2      LEU  85   3.285 -10.040   4.045
  680   HD23  LEU  85          2HD2      LEU  85   2.429 -10.345   5.558
  681    H    LYS  86           H        LYS  86   1.434 -14.026   4.590
  682    HA   LYS  86           HA       LYS  86  -0.309 -15.497   2.727
  683    HB2  LYS  86           2HB      LYS  86   0.331 -17.468   3.974
  684    HB3  LYS  86           1HB      LYS  86   1.780 -16.500   3.708
  685    HG2  LYS  86           2HG      LYS  86   1.456 -15.493   5.982
  686    HG3  LYS  86           1HG      LYS  86   0.122 -16.617   6.242
  687    HD2  LYS  86           2HD      LYS  86   1.763 -18.491   5.702
  688    HD3  LYS  86           1HD      LYS  86   3.041 -17.281   5.817
  689    HE2  LYS  86           2HE      LYS  86   3.057 -17.628   8.042
  690    HE3  LYS  86           1HE      LYS  86   1.458 -16.886   8.101
  691    HZ1  LYS  86           3HZ      LYS  86   0.671 -18.843   8.724
  692    HZ2  LYS  86           1HZ      LYS  86   2.177 -19.592   8.499
  693    HZ3  LYS  86           2HZ      LYS  86   1.087 -19.472   7.200
  694    H    LYS  87           H        LYS  87  -0.708 -13.699   5.604
  695    HA   LYS  87           HA       LYS  87  -3.162 -15.215   6.322
  696    HB2  LYS  87           2HB      LYS  87  -1.661 -13.038   7.796
  697    HB3  LYS  87           1HB      LYS  87  -3.157 -13.779   8.369
  698    HG2  LYS  87           2HG      LYS  87  -2.009 -16.019   8.230
  699    HG3  LYS  87           1HG      LYS  87  -0.505 -15.160   7.888
  700    HD2  LYS  87           2HD      LYS  87  -0.798 -13.888  10.015
  701    HD3  LYS  87           1HD      LYS  87  -2.218 -14.874  10.368
  702    HE2  LYS  87           2HE      LYS  87  -0.198 -16.710   9.702
  703    HE3  LYS  87           1HE      LYS  87   0.587 -15.517  10.738
  704    HZ1  LYS  87           3HZ      LYS  87  -2.051 -16.533  11.516
  705    HZ2  LYS  87           1HZ      LYS  87  -0.766 -16.007  12.489
  706    HZ3  LYS  87           2HZ      LYS  87  -0.700 -17.536  11.750
  707    H    GLU  88           H        GLU  88  -5.098 -14.446   5.708
  708    HA   GLU  88           HA       GLU  88  -5.305 -11.944   4.240
  709    HB2  GLU  88           2HB      GLU  88  -7.421 -13.880   5.222
  710    HB3  GLU  88           1HB      GLU  88  -7.738 -12.509   4.158
  711    HG2  GLU  88           2HG      GLU  88  -6.126 -13.440   2.512
  712    HG3  GLU  88           1HG      GLU  88  -5.891 -14.838   3.562
  713    H    LYS  89           H        LYS  89  -6.197 -13.046   7.488
  714    HA   LYS  89           HA       LYS  89  -7.767 -10.804   8.253
  715    HB2  LYS  89           2HB      LYS  89  -5.948 -12.551   9.937
  716    HB3  LYS  89           1HB      LYS  89  -7.157 -11.442  10.583
  717    HG2  LYS  89           2HG      LYS  89  -8.911 -12.667   9.291
  718    HG3  LYS  89           1HG      LYS  89  -7.681 -13.828   8.789
  719    HD2  LYS  89           2HD      LYS  89  -7.213 -14.309  11.197
  720    HD3  LYS  89           1HD      LYS  89  -8.549 -13.243  11.635
  721    HE2  LYS  89           2HE      LYS  89 -10.030 -14.684  10.151
  722    HE3  LYS  89           1HE      LYS  89  -8.689 -15.825  10.065
  723    HZ1  LYS  89           3HZ      LYS  89  -8.985 -15.184  12.732
  724    HZ2  LYS  89           1HZ      LYS  89  -9.392 -16.649  11.982
  725    HZ3  LYS  89           2HZ      LYS  89 -10.563 -15.429  12.150
  726    H    ASP  90           H        ASP  90  -4.243 -11.334   8.547
  727    HA   ASP  90           HA       ASP  90  -3.685  -8.853   9.843
  728    HB2  ASP  90           2HB      ASP  90  -1.980 -10.589   8.036
  729    HB3  ASP  90           1HB      ASP  90  -1.363  -9.213   8.947
  730    H    ARG  91           H        ARG  91  -3.898  -9.753   6.420
  731    HA   ARG  91           HA       ARG  91  -2.936  -7.329   5.302
  732    HB2  ARG  91           2HB      ARG  91  -3.412  -9.431   4.027
  733    HB3  ARG  91           1HB      ARG  91  -5.136  -9.099   4.200
  734    HG2  ARG  91           2HG      ARG  91  -4.778  -6.897   3.069
  735    HG3  ARG  91           1HG      ARG  91  -3.095  -7.353   2.796
  736    HD2  ARG  91           2HD      ARG  91  -5.529  -8.847   1.779
  737    HD3  ARG  91           1HD      ARG  91  -4.433  -7.865   0.805
  738    HE   ARG  91           HE       ARG  91  -2.687  -9.640   1.841
  739   HH11  ARG  91          1HH2      ARG  91  -5.865 -10.027   0.546
  740   HH12  ARG  91          2HH2      ARG  91  -5.586 -11.647   0.003
  741   HH21  ARG  91          1HH1      ARG  91  -2.311 -11.750   1.133
  742   HH22  ARG  91          2HH1      ARG  91  -3.576 -12.622   0.333
  743    H    ASN  92           H        ASN  92  -6.229  -8.236   6.339
  744    HA   ASN  92           HA       ASN  92  -7.533  -5.886   5.414
  745    HB2  ASN  92           2HB      ASN  92  -8.141  -7.697   7.764
  746    HB3  ASN  92           1HB      ASN  92  -9.222  -6.425   7.200
  747   HD21  ASN  92          1HD2      ASN  92 -10.175  -9.045   7.093
  748   HD22  ASN  92          2HD2      ASN  92 -10.238  -9.572   5.481
  749    H    ASP  93           H        ASP  93  -5.872  -6.553   8.505
  750    HA   ASP  93           HA       ASP  93  -6.592  -4.087   9.752
  751    HB2  ASP  93           2HB      ASP  93  -4.175  -5.873  10.150
  752    HB3  ASP  93           1HB      ASP  93  -4.636  -4.552  11.217
  753    H    LEU  94           H        LEU  94  -3.810  -5.008   7.714
  754    HA   LEU  94           HA       LEU  94  -2.367  -2.579   7.983
  755    HB2  LEU  94           2HB      LEU  94  -1.428  -4.595   6.901
  756    HB3  LEU  94           1HB      LEU  94  -2.552  -4.394   5.558
  757    HG   LEU  94           HG       LEU  94  -1.559  -2.221   5.013
  758   HD11  LEU  94          1HD1      LEU  94  -0.810  -1.238   6.970
  759   HD12  LEU  94          2HD1      LEU  94   0.718  -1.833   6.321
  760   HD13  LEU  94          3HD1      LEU  94  -0.116  -2.738   7.584
  761   HD21  LEU  94          3HD2      LEU  94   0.983  -3.570   5.196
  762   HD22  LEU  94          1HD2      LEU  94  -0.032  -3.326   3.777
  763   HD23  LEU  94          2HD2      LEU  94  -0.275  -4.741   4.802
  764    H    ILE  95           H        ILE  95  -4.944  -3.490   5.697
  765    HA   ILE  95           HA       ILE  95  -4.906  -1.005   4.250
  766    HB   ILE  95           HB       ILE  95  -7.192  -2.942   4.685
  767   HG12  ILE  95          2HG1      ILE  95  -5.208  -2.736   2.399
  768   HG13  ILE  95          1HG1      ILE  95  -5.123  -3.939   3.686
  769   HG21  ILE  95          1HG2      ILE  95  -7.414  -1.733   2.182
  770   HG22  ILE  95          2HG2      ILE  95  -6.945  -0.413   3.253
  771   HG23  ILE  95          3HG2      ILE  95  -8.389  -1.361   3.603
  772   HD11  ILE  95          3HD1      ILE  95  -6.549  -5.236   2.530
  773   HD12  ILE  95          1HD1      ILE  95  -6.715  -3.990   1.294
  774   HD13  ILE  95          2HD1      ILE  95  -7.781  -3.988   2.697
  775    H    THR  96           H        THR  96  -6.564  -2.124   7.147
  776    HA   THR  96           HA       THR  96  -8.402  -0.015   7.508
  777    HB   THR  96           HB       THR  96  -6.877  -1.358   9.748
  778    HG1  THR  96           1HG      THR  96  -7.758  -2.794   8.065
  779   HG21  THR  96          3HG2      THR  96  -8.824   0.569   9.802
  780   HG22  THR  96          1HG2      THR  96  -8.539  -0.597  11.096
  781   HG23  THR  96          2HG2      THR  96  -9.787  -0.908   9.888
  782    H    TYR  97           H        TYR  97  -4.972  -0.244   8.458
  783    HA   TYR  97           HA       TYR  97  -4.880   2.222   9.897
  784    HB2  TYR  97           2HB      TYR  97  -3.114   0.464   9.986
  785    HB3  TYR  97           1HB      TYR  97  -2.637   0.898   8.345
  786    HD1  TYR  97           1HD      TYR  97  -2.988   2.220  11.810
  787    HD2  TYR  97           2HD      TYR  97  -1.257   2.783   7.922
  788    HE1  TYR  97           1HE      TYR  97  -1.577   4.053  12.704
  789    HE2  TYR  97           2HE      TYR  97   0.152   4.619   8.813
  790    HH   TYR  97           HH       TYR  97   0.296   6.116  10.612
  791    H    LEU  98           H        LEU  98  -3.918   1.551   6.489
  792    HA   LEU  98           HA       LEU  98  -3.507   4.357   5.907
  793    HB2  LEU  98           2HB      LEU  98  -4.001   2.001   4.058
  794    HB3  LEU  98           1HB      LEU  98  -3.503   3.607   3.527
  795    HG   LEU  98           HG       LEU  98  -1.943   1.852   5.447
  796   HD11  LEU  98          1HD1      LEU  98  -2.079   1.980   2.540
  797   HD12  LEU  98          2HD1      LEU  98  -1.213   0.834   3.565
  798   HD13  LEU  98          3HD1      LEU  98  -0.460   2.366   3.124
  799   HD21  LEU  98          3HD2      LEU  98  -0.193   3.696   4.625
  800   HD22  LEU  98          1HD2      LEU  98  -1.256   3.995   6.000
  801   HD23  LEU  98          2HD2      LEU  98  -1.664   4.647   4.413
  802    H    LYS  99           H        LYS  99  -6.181   2.095   5.476
  803    HA   LYS  99           HA       LYS  99  -7.922   3.773   3.998
  804    HB2  LYS  99           2HB      LYS  99  -8.305   1.347   4.432
  805    HB3  LYS  99           1HB      LYS  99  -8.659   1.731   6.114
  806    HG2  LYS  99           2HG      LYS  99 -10.517   3.188   5.377
  807    HG3  LYS  99           1HG      LYS  99 -10.187   2.738   3.705
  808    HD2  LYS  99           2HD      LYS  99 -10.563   0.346   4.322
  809    HD3  LYS  99           1HD      LYS  99 -11.025   0.874   5.941
  810    HE2  LYS  99           2HE      LYS  99 -12.794   2.323   4.878
  811    HE3  LYS  99           1HE      LYS  99 -12.405   1.564   3.333
  812    HZ1  LYS  99           3HZ      LYS  99 -12.716  -0.582   4.857
  813    HZ2  LYS  99           1HZ      LYS  99 -13.990   0.129   3.992
  814    HZ3  LYS  99           2HZ      LYS  99 -13.791   0.474   5.644
  815    H    LYS 100           H        LYS 100  -7.383   3.484   7.500
  816    HA   LYS 100           HA       LYS 100  -9.464   5.224   8.359
  817    HB2  LYS 100           2HB      LYS 100  -8.099   3.775   9.862
  818    HB3  LYS 100           1HB      LYS 100  -6.725   4.850   9.603
  819    HG2  LYS 100           2HG      LYS 100  -8.095   6.743  10.482
  820    HG3  LYS 100           1HG      LYS 100  -9.387   5.596  10.846
  821    HD2  LYS 100           2HD      LYS 100  -7.728   4.300  12.233
  822    HD3  LYS 100           1HD      LYS 100  -6.590   5.626  12.003
  823    HE2  LYS 100           2HE      LYS 100  -8.939   6.898  12.800
  824    HE3  LYS 100           1HE      LYS 100  -8.878   5.450  13.807
  825    HZ1  LYS 100           3HZ      LYS 100  -6.913   6.084  14.762
  826    HZ2  LYS 100           1HZ      LYS 100  -7.633   7.600  14.524
  827    HZ3  LYS 100           2HZ      LYS 100  -6.440   7.048  13.447
  828    H    ALA 101           H        ALA 101  -6.139   5.880   7.337
  829    HA   ALA 101           HA       ALA 101  -6.065   8.649   7.968
  830    HB1  ALA 101           1HB      ALA 101  -4.317   8.773   6.167
  831    HB2  ALA 101           2HB      ALA 101  -4.703   7.106   5.742
  832    HB3  ALA 101           3HB      ALA 101  -4.037   7.480   7.332
  833    H    THR 102           H        THR 102  -7.531   6.929   5.272
  834    HA   THR 102           HA       THR 102  -7.902   9.189   3.547
  835    HB   THR 102           HB       THR 102  -9.536   7.825   2.393
  836    HG1  THR 102           1HG      THR 102 -10.257   7.106   4.720
  837   HG21  THR 102          3HG2      THR 102  -7.282   7.082   2.032
  838   HG22  THR 102          1HG2      THR 102  -8.267   5.637   2.260
  839   HG23  THR 102          2HG2      THR 102  -7.254   6.230   3.576
  840    H    GLU 103           H        GLU 103  -9.555   8.115   6.425
  841    HA   GLU 103           HA       GLU 103 -11.974   9.657   5.981
  842    HB2  GLU 103           2HB      GLU 103 -11.829   7.701   7.543
  843    HB3  GLU 103           1HB      GLU 103 -10.812   8.674   8.605
  844    HG2  GLU 103           2HG      GLU 103 -12.641  10.364   8.752
  845    HG3  GLU 103           1HG      GLU 103 -13.661   9.301   7.783
  846    HHA  HEC 201           HA       HEC 104   4.639   3.078  -5.678
  847    HHB  HEC 201           HB       HEC 104   0.972   0.311  -1.337
  848    HHC  HEC 201           HC       HEC 104   6.087  -0.929   2.172
  849    HHD  HEC 201           HD       HEC 104   9.763   1.648  -2.281
  850   HMA1  HEC 201          1HMA      HEC 104  -0.370   0.888  -3.806
  851   HMA2  HEC 201          2HMA      HEC 104  -0.234   2.630  -4.062
  852   HMA3  HEC 201          3HMA      HEC 104  -0.167   1.969  -2.429
  853   HAA1  HEC 201          1HAA      HEC 104   2.432   1.787  -6.611
  854   HAA2  HEC 201          2HAA      HEC 104   0.884   2.375  -6.028
  855   HBA1  HEC 201          1HBA      HEC 104   3.019   3.868  -7.202
  856   HBA2  HEC 201          2HBA      HEC 104   2.806   4.419  -5.541
  857   HMB1  HEC 201          1HMB      HEC 104   1.237  -2.371   1.306
  858   HMB2  HEC 201          2HMB      HEC 104   0.350  -0.847   1.303
  859   HMB3  HEC 201          3HMB      HEC 104   0.750  -1.644  -0.216
  860    HAB  HEC 201           HAB      HEC 104   4.337  -1.643   3.310
  861   HBB1  HEC 201          1HBB      HEC 104   2.278  -1.759   4.673
  862   HBB2  HEC 201          2HBB      HEC 104   2.197  -2.785   3.249
  863   HBB3  HEC 201          3HBB      HEC 104   1.341  -1.241   3.282
  864   HMC1  HEC 201          1HMC      HEC 104   9.902  -1.117   2.077
  865   HMC2  HEC 201          2HMC      HEC 104   8.566  -2.189   1.653
  866   HMC3  HEC 201          3HMC      HEC 104   8.360  -0.985   2.925
  867    HAC  HEC 201           HAC      HEC 104  10.812   1.677  -0.342
  868   HBC1  HEC 201          1HBC      HEC 104  12.249  -0.019  -0.684
  869   HBC2  HEC 201          2HBC      HEC 104  12.113  -0.440   1.024
  870   HBC3  HEC 201          3HBC      HEC 104  11.034  -1.183  -0.159
  871   HMD1  HEC 201          1HMD      HEC 104  10.220   1.670  -4.518
  872   HMD2  HEC 201          2HMD      HEC 104  10.267   3.433  -4.581
  873   HMD3  HEC 201          3HMD      HEC 104   9.677   2.516  -5.967
  874   HAD1  HEC 201          1HAD      HEC 104   8.150   4.490  -6.188
  875   HAD2  HEC 201          2HAD      HEC 104   6.430   4.715  -5.917
  876   HBD1  HEC 201          1HBD      HEC 104   7.790   2.847  -7.848
  877   HBD2  HEC 201          2HBD      HEC 104   6.115   2.599  -7.358
  Start of MODEL   19
    1    H1   THR  -5           1HT      THR  -5 -17.980 -10.765   3.172
    2    H2   THR  -5           2HT      THR  -5 -16.500 -10.949   3.984
    3    H3   THR  -5           3HT      THR  -5 -16.935 -12.032   2.749
    4    HA   THR  -5           HA       THR  -5 -16.553 -10.515   1.070
    5    HB   THR  -5           HB       THR  -5 -16.011  -8.079   2.475
    6    HG1  THR  -5           1HG      THR  -5 -17.882  -7.779   3.565
    7   HG21  THR  -5          1HG2      THR  -5 -18.358  -8.847   0.721
    8   HG22  THR  -5          2HG2      THR  -5 -16.769  -8.384   0.111
    9   HG23  THR  -5          3HG2      THR  -5 -17.745  -7.218   1.006
   10    H    GLU  -4           H        GLU  -4 -14.456  -9.675   0.395
   11    HA   GLU  -4           HA       GLU  -4 -12.245 -10.890   1.727
   12    HB2  GLU  -4           2HB      GLU  -4 -12.300  -8.634  -0.300
   13    HB3  GLU  -4           1HB      GLU  -4 -10.849  -9.514   0.181
   14    HG2  GLU  -4           2HG      GLU  -4 -11.910 -11.632  -0.570
   15    HG3  GLU  -4           1HG      GLU  -4 -13.315 -10.715  -1.112
   16    H    PHE  -3           H        PHE  -3 -13.643  -7.659   1.940
   17    HA   PHE  -3           HA       PHE  -3 -11.484  -6.855   3.827
   18    HB2  PHE  -3           2HB      PHE  -3 -12.087  -5.286   1.991
   19    HB3  PHE  -3           1HB      PHE  -3 -13.730  -5.203   2.628
   20    HD1  PHE  -3           2HD      PHE  -3 -10.190  -4.341   3.269
   21    HD2  PHE  -3           1HD      PHE  -3 -14.238  -3.987   4.660
   22    HE1  PHE  -3           2HE      PHE  -3  -9.488  -2.578   4.870
   23    HE2  PHE  -3           1HE      PHE  -3 -13.536  -2.225   6.257
   24    HZ   PHE  -3           HZ       PHE  -3 -11.162  -1.523   6.364
   25    H    LYS  -2           H        LYS  -2 -11.881  -6.846   5.988
   26    HA   LYS  -2           HA       LYS  -2 -14.571  -7.588   6.935
   27    HB2  LYS  -2           2HB      LYS  -2 -11.983  -7.099   8.443
   28    HB3  LYS  -2           1HB      LYS  -2 -13.474  -7.709   9.161
   29    HG2  LYS  -2           2HG      LYS  -2 -13.392  -9.603   7.481
   30    HG3  LYS  -2           1HG      LYS  -2 -11.777  -9.048   7.040
   31    HD2  LYS  -2           2HD      LYS  -2 -12.623  -9.816   9.849
   32    HD3  LYS  -2           1HD      LYS  -2 -11.733 -10.870   8.749
   33    HE2  LYS  -2           2HE      LYS  -2 -10.036  -8.922   8.576
   34    HE3  LYS  -2           1HE      LYS  -2 -10.823  -8.293  10.023
   35    HZ1  LYS  -2           3HZ      LYS  -2  -9.949  -9.897  11.296
   36    HZ2  LYS  -2           1HZ      LYS  -2  -8.818 -10.067  10.044
   37    HZ3  LYS  -2           2HZ      LYS  -2 -10.161 -11.105  10.121
   38    H    ALA  -1           H        ALA  -1 -15.364  -6.324   8.953
   39    HA   ALA  -1           HA       ALA  -1 -16.211  -3.789   8.363
   40    HB1  ALA  -1           1HB      ALA  -1 -16.006  -5.344  10.741
   41    HB2  ALA  -1           2HB      ALA  -1 -17.062  -3.964  10.437
   42    HB3  ALA  -1           3HB      ALA  -1 -15.460  -3.712  11.128
   43    H    GLY   1           H        GLY   1 -12.961  -4.684   9.226
   44    HA2  GLY   1           2HA      GLY   1 -11.096  -3.251   8.602
   45    HA3  GLY   1           1HA      GLY   1 -12.148  -1.851   8.812
   46    H    SER   2           H        SER   2 -10.010  -4.068  10.405
   47    HA   SER   2           HA       SER   2 -10.423  -2.572  12.968
   48    HB2  SER   2           2HB      SER   2 -11.045  -4.994  13.088
   49    HB3  SER   2           1HB      SER   2  -9.396  -5.406  12.626
   50    HG   SER   2           HG       SER   2  -8.658  -4.490  14.505
   51    H    ALA   3           H        ALA   3  -8.603  -1.624  13.839
   52    HA   ALA   3           HA       ALA   3  -6.076  -1.953  12.287
   53    HB1  ALA   3           1HB      ALA   3  -5.534   0.252  12.822
   54    HB2  ALA   3           2HB      ALA   3  -6.532   0.250  14.277
   55    HB3  ALA   3           3HB      ALA   3  -7.289   0.349  12.689
   56    H    LYS   4           H        LYS   4  -4.351  -2.844  13.250
   57    HA   LYS   4           HA       LYS   4  -3.718  -2.647  16.031
   58    HB2  LYS   4           2HB      LYS   4  -5.669  -4.191  16.228
   59    HB3  LYS   4           1HB      LYS   4  -4.848  -5.332  15.167
   60    HG2  LYS   4           2HG      LYS   4  -2.956  -5.431  16.777
   61    HG3  LYS   4           1HG      LYS   4  -3.840  -4.348  17.853
   62    HD2  LYS   4           2HD      LYS   4  -5.716  -6.015  17.891
   63    HD3  LYS   4           1HD      LYS   4  -4.695  -7.118  16.967
   64    HE2  LYS   4           2HE      LYS   4  -3.716  -5.900  19.546
   65    HE3  LYS   4           1HE      LYS   4  -4.708  -7.358  19.550
   66    HZ1  LYS   4           3HZ      LYS   4  -2.618  -8.240  19.418
   67    HZ2  LYS   4           1HZ      LYS   4  -1.999  -6.956  18.499
   68    HZ3  LYS   4           2HZ      LYS   4  -2.996  -8.120  17.765
   69    H    LYS   5           H        LYS   5  -3.344  -5.716  14.370
   70    HA   LYS   5           HA       LYS   5  -0.483  -5.577  14.442
   71    HB2  LYS   5           2HB      LYS   5  -2.322  -7.303  12.752
   72    HB3  LYS   5           1HB      LYS   5  -0.585  -7.559  12.926
   73    HG2  LYS   5           2HG      LYS   5  -0.905  -7.772  15.394
   74    HG3  LYS   5           1HG      LYS   5  -2.648  -7.644  15.147
   75    HD2  LYS   5           2HD      LYS   5  -2.540  -9.634  13.640
   76    HD3  LYS   5           1HD      LYS   5  -0.826  -9.796  14.033
   77    HE2  LYS   5           2HE      LYS   5  -1.389 -10.969  15.866
   78    HE3  LYS   5           1HE      LYS   5  -2.205  -9.539  16.498
   79    HZ1  LYS   5           3HZ      LYS   5  -4.222 -10.186  15.502
   80    HZ2  LYS   5           1HZ      LYS   5  -3.617 -11.580  16.253
   81    HZ3  LYS   5           2HZ      LYS   5  -3.475 -11.396  14.570
   82    H    GLY   6           H        GLY   6  -2.886  -4.828  11.959
   83    HA2  GLY   6           2HA      GLY   6  -1.120  -4.429   9.771
   84    HA3  GLY   6           1HA      GLY   6  -2.689  -3.647   9.946
   85    H    ALA   7           H        ALA   7  -2.080  -2.267  12.415
   86    HA   ALA   7           HA       ALA   7  -0.945   0.128  11.371
   87    HB1  ALA   7           1HB      ALA   7  -2.225   0.574  13.240
   88    HB2  ALA   7           2HB      ALA   7  -0.631   0.543  13.993
   89    HB3  ALA   7           3HB      ALA   7  -1.679  -0.872  14.086
   90    H    THR   8           H        THR   8   0.476  -2.308  13.568
   91    HA   THR   8           HA       THR   8   3.086  -1.035  13.520
   92    HB   THR   8           HB       THR   8   3.827  -3.007  14.740
   93    HG1  THR   8           1HG      THR   8   1.283  -4.139  14.329
   94   HG21  THR   8          3HG2      THR   8   2.791  -2.104  16.514
   95   HG22  THR   8          1HG2      THR   8   1.355  -3.052  16.127
   96   HG23  THR   8          2HG2      THR   8   1.544  -1.427  15.467
   97    H    LEU   9           H        LEU   9   1.473  -3.575  11.675
   98    HA   LEU   9           HA       LEU   9   3.727  -4.718  10.385
   99    HB2  LEU   9           2HB      LEU   9   1.331  -5.509  10.189
  100    HB3  LEU   9           1HB      LEU   9   1.037  -4.150   9.106
  101    HG   LEU   9           HG       LEU   9   3.149  -5.098   7.838
  102   HD11  LEU   9          1HD1      LEU   9   2.068  -7.716   8.783
  103   HD12  LEU   9          2HD1      LEU   9   3.215  -6.875   9.825
  104   HD13  LEU   9          3HD1      LEU   9   3.678  -7.320   8.184
  105   HD21  LEU   9          3HD2      LEU   9   0.490  -6.547   7.696
  106   HD22  LEU   9          1HD2      LEU   9   1.662  -6.356   6.392
  107   HD23  LEU   9          2HD2      LEU   9   0.781  -4.955   6.997
  108    H    PHE  10           H        PHE  10   1.816  -1.840   9.640
  109    HA   PHE  10           HA       PHE  10   3.174  -1.100   7.229
  110    HB2  PHE  10           2HB      PHE  10   0.993  -0.148   8.035
  111    HB3  PHE  10           1HB      PHE  10   1.876   0.707   9.295
  112    HD1  PHE  10           1HD      PHE  10   1.358   0.414   5.636
  113    HD2  PHE  10           2HD      PHE  10   3.182   2.661   8.811
  114    HE1  PHE  10           1HE      PHE  10   1.850   2.259   4.051
  115    HE2  PHE  10           2HE      PHE  10   3.670   4.500   7.225
  116    HZ   PHE  10           HZ       PHE  10   3.011   4.301   4.850
  117    H    LYS  11           H        LYS  11   3.630  -0.158  10.623
  118    HA   LYS  11           HA       LYS  11   5.862   1.570  10.214
  119    HB2  LYS  11           2HB      LYS  11   4.448   1.360  12.317
  120    HB3  LYS  11           1HB      LYS  11   5.331  -0.124  12.665
  121    HG2  LYS  11           2HG      LYS  11   7.466   1.136  12.594
  122    HG3  LYS  11           1HG      LYS  11   6.560   2.624  12.311
  123    HD2  LYS  11           2HD      LYS  11   5.331   2.215  14.460
  124    HD3  LYS  11           1HD      LYS  11   6.398   0.843  14.757
  125    HE2  LYS  11           2HE      LYS  11   8.180   2.858  14.140
  126    HE3  LYS  11           1HE      LYS  11   6.930   3.716  15.041
  127    HZ1  LYS  11           3HZ      LYS  11   8.055   2.956  16.808
  128    HZ2  LYS  11           1HZ      LYS  11   8.809   1.708  15.942
  129    HZ3  LYS  11           2HZ      LYS  11   7.221   1.505  16.513
  130    H    THR  12           H        THR  12   5.644  -1.911  10.818
  131    HA   THR  12           HA       THR  12   8.474  -2.317  11.134
  132    HB   THR  12           HB       THR  12   7.956  -4.689  10.952
  133    HG1  THR  12           1HG      THR  12   5.667  -3.649   9.724
  134   HG21  THR  12          3HG2      THR  12   6.551  -2.833  12.665
  135   HG22  THR  12          1HG2      THR  12   7.183  -4.434  13.047
  136   HG23  THR  12          2HG2      THR  12   5.562  -4.265  12.375
  137    H    ARG  13           H        ARG  13   6.364  -2.341   8.267
  138    HA   ARG  13           HA       ARG  13   8.827  -2.409   6.625
  139    HB2  ARG  13           2HB      ARG  13   6.570  -4.409   6.347
  140    HB3  ARG  13           1HB      ARG  13   7.845  -4.184   5.152
  141    HG2  ARG  13           2HG      ARG  13   9.536  -4.682   6.932
  142    HG3  ARG  13           1HG      ARG  13   8.208  -5.038   8.040
  143    HD2  ARG  13           2HD      ARG  13   8.946  -7.135   7.107
  144    HD3  ARG  13           1HD      ARG  13   7.389  -6.749   6.374
  145    HE   ARG  13           HE       ARG  13   9.585  -5.743   4.776
  146   HH11  ARG  13          1HH2      ARG  13   7.757  -8.529   5.667
  147   HH12  ARG  13          2HH2      ARG  13   8.052  -9.362   4.177
  148   HH21  ARG  13          1HH1      ARG  13   9.979  -6.815   2.826
  149   HH22  ARG  13          2HH1      ARG  13   9.310  -8.392   2.569
  150    H    CYS  14           H        CYS  14   7.475  -0.106   6.770
  151    HA   CYS  14           HA       CYS  14   6.580   0.306   4.075
  152    HB2  CYS  14           2HB      CYS  14   4.596  -0.889   5.336
  153    HB3  CYS  14           1HB      CYS  14   4.321   0.723   5.992
  154    H    LEU  15           H        LEU  15   6.033   1.586   7.373
  155    HA   LEU  15           HA       LEU  15   5.860   4.316   6.650
  156    HB2  LEU  15           2HB      LEU  15   5.365   3.416   8.927
  157    HB3  LEU  15           1HB      LEU  15   7.093   3.176   9.175
  158    HG   LEU  15           HG       LEU  15   7.323   5.699   8.617
  159   HD11  LEU  15          1HD1      LEU  15   4.356   5.455   9.163
  160   HD12  LEU  15          2HD1      LEU  15   5.132   6.167   7.747
  161   HD13  LEU  15          3HD1      LEU  15   5.242   6.971   9.310
  162   HD21  LEU  15          3HD2      LEU  15   6.734   6.292  10.977
  163   HD22  LEU  15          1HD2      LEU  15   7.695   4.819  10.850
  164   HD23  LEU  15          2HD2      LEU  15   5.957   4.716  11.135
  165    H    GLN  16           H        GLN  16   8.713   2.302   7.261
  166    HA   GLN  16           HA       GLN  16  10.667   4.351   7.290
  167    HB2  GLN  16           2HB      GLN  16  10.856   1.528   6.197
  168    HB3  GLN  16           1HB      GLN  16  12.240   2.578   6.501
  169    HG2  GLN  16           2HG      GLN  16  11.634   2.720   8.877
  170    HG3  GLN  16           1HG      GLN  16  10.222   1.704   8.588
  171   HE21  GLN  16          1HE2      GLN  16  12.253   0.876  10.417
  172   HE22  GLN  16          2HE2      GLN  16  13.052  -0.471   9.763
  173    H    CYS  17           H        CYS  17   9.034   2.781   4.576
  174    HA   CYS  17           HA       CYS  17  10.670   4.365   2.671
  175    HB2  CYS  17           2HB      CYS  17   8.606   2.192   2.240
  176    HB3  CYS  17           1HB      CYS  17   9.468   3.021   0.944
  177    H    HIS  18           H        HIS  18   7.246   3.884   3.568
  178    HA   HIS  18           HA       HIS  18   6.573   6.289   1.936
  179    HB2  HIS  18           2HB      HIS  18   4.894   4.025   3.046
  180    HB3  HIS  18           1HB      HIS  18   4.189   5.478   2.326
  181    HD1  HIS  18           1HD      HIS  18   5.019   5.964  -0.241
  182    HD2  HIS  18           2HD      HIS  18   5.647   2.120   1.224
  183    HE1  HIS  18           1HE      HIS  18   5.407   4.480  -2.268
  184    H    THR  19           H        THR  19   6.227   8.167   2.988
  185    HA   THR  19           HA       THR  19   6.021   8.167   5.928
  186    HB   THR  19           HB       THR  19   6.272  10.583   5.742
  187    HG1  THR  19           1HG      THR  19   4.963  10.865   3.905
  188   HG21  THR  19          3HG2      THR  19   8.423  10.687   4.568
  189   HG22  THR  19          1HG2      THR  19   8.060   9.170   3.744
  190   HG23  THR  19          2HG2      THR  19   8.303   9.187   5.491
  191    H    VAL  20           H        VAL  20   3.936   8.331   3.189
  192    HA   VAL  20           HA       VAL  20   1.608   8.590   3.039
  193    HB   VAL  20           HB       VAL  20   1.437   8.504   6.039
  194   HG11  VAL  20          1HG1      VAL  20  -0.502   8.619   4.246
  195   HG12  VAL  20          2HG1      VAL  20  -0.654   7.565   5.650
  196   HG13  VAL  20          3HG1      VAL  20  -0.177   6.892   4.092
  197   HG21  VAL  20          3HG2      VAL  20   1.393   5.865   5.348
  198   HG22  VAL  20          1HG2      VAL  20   2.821   6.686   5.976
  199   HG23  VAL  20          2HG2      VAL  20   2.621   6.472   4.237
  200    H    GLU  21           H        GLU  21   3.544  10.895   3.777
  201    HA   GLU  21           HA       GLU  21   1.571  12.756   5.001
  202    HB2  GLU  21           2HB      GLU  21   3.922  12.677   5.890
  203    HB3  GLU  21           1HB      GLU  21   4.484  13.257   4.320
  204    HG2  GLU  21           2HG      GLU  21   4.258  15.176   5.777
  205    HG3  GLU  21           1HG      GLU  21   2.951  15.239   4.593
  206    H    LYS  22           H        LYS  22   0.740  14.490   3.841
  207    HA   LYS  22           HA       LYS  22   0.951  14.325   0.922
  208    HB2  LYS  22           2HB      LYS  22  -1.224  14.790   1.902
  209    HB3  LYS  22           1HB      LYS  22  -0.579  16.191   2.759
  210    HG2  LYS  22           2HG      LYS  22  -0.161  17.354   0.688
  211    HG3  LYS  22           1HG      LYS  22  -0.559  15.921  -0.252
  212    HD2  LYS  22           2HD      LYS  22  -2.485  17.381  -0.295
  213    HD3  LYS  22           1HD      LYS  22  -2.877  16.010   0.744
  214    HE2  LYS  22           2HE      LYS  22  -2.594  17.277   2.722
  215    HE3  LYS  22           1HE      LYS  22  -1.712  18.550   1.879
  216    HZ1  LYS  22           3HZ      LYS  22  -3.826  19.426   2.153
  217    HZ2  LYS  22           1HZ      LYS  22  -4.601  17.956   1.817
  218    HZ3  LYS  22           2HZ      LYS  22  -3.867  18.833   0.561
  219    H    GLY  23           H        GLY  23   0.914  17.336   2.768
  220    HA2  GLY  23           2HA      GLY  23   2.528  18.807   1.016
  221    HA3  GLY  23           1HA      GLY  23   2.382  19.174   2.735
  222    H    GLY  24           H        GLY  24   3.487  16.499   3.476
  223    HA2  GLY  24           2HA      GLY  24   6.217  17.223   3.754
  224    HA3  GLY  24           1HA      GLY  24   5.593  15.587   3.970
  225    HA   PRO  25           HA       PRO  25   7.976  16.132  -0.155
  226    HB2  PRO  25           2HB      PRO  25  10.484  15.367   0.569
  227    HB3  PRO  25           1HB      PRO  25   9.940  17.056   0.651
  228    HG2  PRO  25           2HG      PRO  25  10.162  15.033   2.830
  229    HG3  PRO  25           1HG      PRO  25  10.594  16.750   2.836
  230    HD2  PRO  25           2HD      PRO  25   8.267  15.811   3.922
  231    HD3  PRO  25           1HD      PRO  25   8.419  17.440   3.225
  232    H    HIS  26           H        HIS  26   9.566  14.218  -1.049
  233    HA   HIS  26           HA       HIS  26   8.213  11.684  -0.242
  234    HB2  HIS  26           2HB      HIS  26   9.693  12.399  -2.793
  235    HB3  HIS  26           1HB      HIS  26   8.928  10.846  -2.465
  236    HD1  HIS  26           1HD      HIS  26   6.284  10.845  -2.245
  237    HD2  HIS  26           2HD      HIS  26   7.926  14.435  -3.593
  238    HE1  HIS  26           1HE      HIS  26   4.370  12.187  -3.225
  239    HE2  HIS  26           2HE      HIS  26   5.358  14.377  -4.040
  240    H    LYS  27           H        LYS  27   9.439  10.017   0.579
  241    HA   LYS  27           HA       LYS  27  12.342  10.565   0.940
  242    HB2  LYS  27           2HB      LYS  27  10.767   9.913   2.876
  243    HB3  LYS  27           1HB      LYS  27  10.776   8.294   2.178
  244    HG2  LYS  27           2HG      LYS  27  13.261   8.272   2.323
  245    HG3  LYS  27           1HG      LYS  27  13.210   9.857   3.092
  246    HD2  LYS  27           2HD      LYS  27  11.759   8.876   4.887
  247    HD3  LYS  27           1HD      LYS  27  12.004   7.289   4.158
  248    HE2  LYS  27           2HE      LYS  27  14.295   9.070   5.018
  249    HE3  LYS  27           1HE      LYS  27  13.577   7.855   6.075
  250    HZ1  LYS  27           3HZ      LYS  27  15.185   7.503   3.658
  251    HZ2  LYS  27           1HZ      LYS  27  13.968   6.362   3.964
  252    HZ3  LYS  27           2HZ      LYS  27  15.197   6.618   5.109
  253    H    VAL  28           H        VAL  28  12.090   7.354   1.351
  254    HA   VAL  28           HA       VAL  28  13.498   6.696  -1.055
  255    HB   VAL  28           HB       VAL  28  12.012   4.932   0.914
  256   HG11  VAL  28          1HG1      VAL  28  13.551   3.152  -0.095
  257   HG12  VAL  28          2HG1      VAL  28  13.819   4.282  -1.423
  258   HG13  VAL  28          3HG1      VAL  28  12.197   3.667  -1.101
  259   HG21  VAL  28          3HG2      VAL  28  14.417   4.422   1.595
  260   HG22  VAL  28          1HG2      VAL  28  13.846   6.044   1.986
  261   HG23  VAL  28          2HG2      VAL  28  14.898   5.791   0.594
  262    H    GLY  29           H        GLY  29  10.089   6.419  -0.119
  263    HA2  GLY  29           2HA      GLY  29   9.449   5.865  -2.990
  264    HA3  GLY  29           1HA      GLY  29   8.583   5.067  -1.677
  265    HA   PRO  30           HA       PRO  30   6.690   9.286  -2.962
  266    HB2  PRO  30           2HB      PRO  30   4.357   8.212  -3.998
  267    HB3  PRO  30           1HB      PRO  30   5.771   8.668  -4.968
  268    HG2  PRO  30           2HG      PRO  30   4.926   5.985  -4.005
  269    HG3  PRO  30           1HG      PRO  30   5.652   6.458  -5.552
  270    HD2  PRO  30           2HD      PRO  30   7.104   5.269  -3.588
  271    HD3  PRO  30           1HD      PRO  30   7.813   6.469  -4.693
  272    H    ASN  31           H        ASN  31   5.053  10.283  -1.682
  273    HA   ASN  31           HA       ASN  31   4.258   8.787   0.701
  274    HB2  ASN  31           2HB      ASN  31   3.355  11.559  -0.117
  275    HB3  ASN  31           1HB      ASN  31   3.409  10.882   1.510
  276   HD21  ASN  31          1HD2      ASN  31   6.015   9.691   1.445
  277   HD22  ASN  31          2HD2      ASN  31   7.164  10.931   1.303
  278    H    LEU  32           H        LEU  32   2.220   7.962   1.132
  279    HA   LEU  32           HA       LEU  32   0.260   8.072  -1.106
  280    HB2  LEU  32           2HB      LEU  32   0.574   6.210   1.258
  281    HB3  LEU  32           1HB      LEU  32  -0.849   6.192   0.217
  282    HG   LEU  32           HG       LEU  32   0.671   5.855  -1.753
  283   HD11  LEU  32          1HD1      LEU  32   2.772   6.657  -1.089
  284   HD12  LEU  32          2HD1      LEU  32   2.985   4.910  -0.990
  285   HD13  LEU  32          3HD1      LEU  32   2.695   5.846   0.475
  286   HD21  LEU  32          3HD2      LEU  32   0.309   3.942   0.497
  287   HD22  LEU  32          1HD2      LEU  32   1.473   3.480  -0.744
  288   HD23  LEU  32          2HD2      LEU  32  -0.202   3.808  -1.186
  289    H    HIS  33           H        HIS  33  -1.709   9.047  -0.852
  290    HA   HIS  33           HA       HIS  33  -2.882   9.554   1.759
  291    HB2  HIS  33           2HB      HIS  33  -1.180  11.360   1.684
  292    HB3  HIS  33           1HB      HIS  33  -1.858  11.923   0.156
  293    HD1  HIS  33           1HD      HIS  33  -4.094  13.196   0.229
  294    HD2  HIS  33           2HD      HIS  33  -2.842  11.857   3.977
  295    HE1  HIS  33           1HE      HIS  33  -5.591  14.327   1.934
  296    HE2  HIS  33           2HE      HIS  33  -4.838  13.519   4.217
  297    H    GLY  34           H        GLY  34  -4.783   8.670   0.948
  298    HA2  GLY  34           2HA      GLY  34  -6.936   8.972  -0.029
  299    HA3  GLY  34           1HA      GLY  34  -6.313  10.374  -0.903
  300    H    ILE  35           H        ILE  35  -4.182   7.795  -1.152
  301    HA   ILE  35           HA       ILE  35  -4.429   7.524  -3.957
  302    HB   ILE  35           HB       ILE  35  -2.493   6.787  -2.442
  303   HG12  ILE  35          2HG1      ILE  35  -3.370   4.662  -4.408
  304   HG13  ILE  35          1HG1      ILE  35  -2.825   6.252  -4.941
  305   HG21  ILE  35          1HG2      ILE  35  -2.574   4.598  -1.483
  306   HG22  ILE  35          2HG2      ILE  35  -4.085   4.218  -2.308
  307   HG23  ILE  35          3HG2      ILE  35  -4.070   5.393  -0.993
  308   HD11  ILE  35          3HD1      ILE  35  -0.991   4.543  -4.890
  309   HD12  ILE  35          1HD1      ILE  35  -1.215   4.414  -3.146
  310   HD13  ILE  35          2HD1      ILE  35  -0.673   5.936  -3.857
  311    H    PHE  36           H        PHE  36  -6.257   6.077  -1.381
  312    HA   PHE  36           HA       PHE  36  -7.247   3.795  -2.817
  313    HB2  PHE  36           2HB      PHE  36  -8.419   5.393  -0.521
  314    HB3  PHE  36           1HB      PHE  36  -9.070   3.860  -1.096
  315    HD1  PHE  36           1HD      PHE  36  -6.242   5.500   0.610
  316    HD2  PHE  36           2HD      PHE  36  -7.874   1.764  -0.749
  317    HE1  PHE  36           1HE      PHE  36  -4.587   4.271   1.991
  318    HE2  PHE  36           2HE      PHE  36  -6.219   0.538   0.629
  319    HZ   PHE  36           HZ       PHE  36  -4.575   1.791   1.999
  320    H    GLY  37           H        GLY  37  -8.911   3.651  -4.284
  321    HA2  GLY  37           2HA      GLY  37 -10.737   4.318  -5.616
  322    HA3  GLY  37           1HA      GLY  37 -10.963   5.691  -4.529
  323    H    ARG  38           H        ARG  38  -7.800   5.235  -5.857
  324    HA   ARG  38           HA       ARG  38  -8.347   7.262  -7.967
  325    HB2  ARG  38           2HB      ARG  38  -6.132   7.413  -5.903
  326    HB3  ARG  38           1HB      ARG  38  -6.284   8.482  -7.300
  327    HG2  ARG  38           2HG      ARG  38  -8.562   9.138  -6.471
  328    HG3  ARG  38           1HG      ARG  38  -8.253   8.193  -5.014
  329    HD2  ARG  38           2HD      ARG  38  -6.152   9.582  -4.691
  330    HD3  ARG  38           1HD      ARG  38  -6.737  10.625  -5.986
  331    HE   ARG  38           HE       ARG  38  -8.790  10.297  -4.006
  332   HH11  ARG  38          1HH2      ARG  38  -5.741  11.780  -4.633
  333   HH12  ARG  38          2HH2      ARG  38  -6.021  13.112  -3.562
  334   HH21  ARG  38          1HH1      ARG  38  -9.172  12.028  -2.603
  335   HH22  ARG  38          2HH1      ARG  38  -7.962  13.253  -2.413
  336    H    HIS  39           H        HIS  39  -6.467   7.430  -9.515
  337    HA   HIS  39           HA       HIS  39  -5.365   4.717  -9.987
  338    HB2  HIS  39           2HB      HIS  39  -5.532   7.162 -11.775
  339    HB3  HIS  39           1HB      HIS  39  -4.838   5.613 -12.259
  340    HD1  HIS  39           1HD      HIS  39  -8.100   7.308 -11.546
  341    HD2  HIS  39           2HD      HIS  39  -6.752   3.508 -12.616
  342    HE1  HIS  39           1HE      HIS  39 -10.150   5.986 -12.233
  343    HE2  HIS  39           2HE      HIS  39  -9.340   3.673 -12.886
  344    H    SER  40           H        SER  40  -3.083   4.474 -10.501
  345    HA   SER  40           HA       SER  40  -1.352   5.979  -8.779
  346    HB2  SER  40           2HB      SER  40   0.403   4.622  -9.621
  347    HB3  SER  40           1HB      SER  40  -1.024   3.594  -9.691
  348    HG   SER  40           HG       SER  40  -0.441   5.218 -11.888
  349    H    GLY  41           H        GLY  41   0.524   7.274  -9.503
  350    HA2  GLY  41           2HA      GLY  41   1.640   8.674 -11.116
  351    HA3  GLY  41           1HA      GLY  41   0.227   8.546 -12.162
  352    H    GLN  42           H        GLN  42  -1.431   9.072  -9.586
  353    HA   GLN  42           HA       GLN  42  -1.852  11.857 -10.045
  354    HB2  GLN  42           2HB      GLN  42  -3.520  10.297  -9.001
  355    HB3  GLN  42           1HB      GLN  42  -2.547  10.318  -7.529
  356    HG2  GLN  42           2HG      GLN  42  -2.771  12.808  -7.468
  357    HG3  GLN  42           1HG      GLN  42  -3.852  12.711  -8.858
  358   HE21  GLN  42          1HE2      GLN  42  -5.967  12.940  -8.127
  359   HE22  GLN  42          2HE2      GLN  42  -6.605  12.205  -6.737
  360    H    ALA  43           H        ALA  43   0.143  10.141  -7.666
  361    HA   ALA  43           HA       ALA  43   0.764  12.323  -5.977
  362    HB1  ALA  43           1HB      ALA  43   1.533   9.713  -6.067
  363    HB2  ALA  43           2HB      ALA  43   2.319  10.925  -5.055
  364    HB3  ALA  43           3HB      ALA  43   3.011  10.502  -6.620
  365    H    GLU  44           H        GLU  44   2.220  14.013  -6.132
  366    HA   GLU  44           HA       GLU  44   3.726  14.258  -8.709
  367    HB2  GLU  44           2HB      GLU  44   2.374  16.463  -7.122
  368    HB3  GLU  44           1HB      GLU  44   3.310  16.687  -8.601
  369    HG2  GLU  44           2HG      GLU  44   1.719  15.199  -9.804
  370    HG3  GLU  44           1HG      GLU  44   0.756  15.073  -8.330
  371    H    GLY  45           H        GLY  45   5.761  15.388  -8.545
  372    HA2  GLY  45           2HA      GLY  45   7.549  16.431  -7.307
  373    HA3  GLY  45           1HA      GLY  45   6.737  15.979  -5.807
  374    H    TYR  46           H        TYR  46   6.566  13.319  -7.748
  375    HA   TYR  46           HA       TYR  46   9.243  12.290  -6.934
  376    HB2  TYR  46           2HB      TYR  46   7.477  11.617  -5.254
  377    HB3  TYR  46           1HB      TYR  46   6.665  10.740  -6.551
  378    HD1  TYR  46           1HD      TYR  46   9.800  10.970  -4.576
  379    HD2  TYR  46           2HD      TYR  46   7.495   8.635  -7.348
  380    HE1  TYR  46           1HE      TYR  46  11.335   9.051  -4.236
  381    HE2  TYR  46           2HE      TYR  46   9.034   6.716  -7.010
  382    HH   TYR  46           HH       TYR  46  11.798   6.717  -6.108
  383    H    SER  47           H        SER  47   9.924  10.430  -8.223
  384    HA   SER  47           HA       SER  47   8.718  10.505 -10.934
  385    HB2  SER  47           2HB      SER  47  11.185  10.788 -10.664
  386    HB3  SER  47           1HB      SER  47  11.269   9.164  -9.987
  387    HG   SER  47           HG       SER  47  11.681   9.325 -12.293
  388    H    TYR  48           H        TYR  48   7.978   8.607 -11.973
  389    HA   TYR  48           HA       TYR  48   7.326   6.380 -10.104
  390    HB2  TYR  48           2HB      TYR  48   6.076   7.381 -12.659
  391    HB3  TYR  48           1HB      TYR  48   5.734   5.759 -12.056
  392    HD1  TYR  48           2HD      TYR  48   5.356   9.371 -11.411
  393    HD2  TYR  48           1HD      TYR  48   4.516   5.410  -9.980
  394    HE1  TYR  48           2HE      TYR  48   3.714  10.300  -9.799
  395    HE2  TYR  48           1HE      TYR  48   2.877   6.337  -8.370
  396    HH   TYR  48           HH       TYR  48   1.964   8.169  -7.529
  397    H    THR  49           H        THR  49   7.932   4.277 -10.580
  398    HA   THR  49           HA       THR  49  10.192   3.936 -12.370
  399    HB   THR  49           HB       THR  49   8.563   1.814 -10.943
  400    HG1  THR  49           1HG      THR  49  10.935   3.136 -10.131
  401   HG21  THR  49          3HG2      THR  49  10.882   1.780 -12.697
  402   HG22  THR  49          1HG2      THR  49   9.925   0.431 -12.086
  403   HG23  THR  49          2HG2      THR  49  11.253   1.080 -11.123
  404    H    ASP  50           H        ASP  50  10.245   2.645 -14.273
  405    HA   ASP  50           HA       ASP  50   8.165   2.949 -16.111
  406    HB2  ASP  50           2HB      ASP  50  10.282   0.802 -15.952
  407    HB3  ASP  50           1HB      ASP  50   9.238   1.036 -17.351
  408    H    ALA  51           H        ALA  51   8.644   0.380 -13.738
  409    HA   ALA  51           HA       ALA  51   6.874  -1.574 -14.645
  410    HB1  ALA  51           1HB      ALA  51   8.300  -1.442 -12.457
  411    HB2  ALA  51           2HB      ALA  51   6.805  -2.378 -12.448
  412    HB3  ALA  51           3HB      ALA  51   6.835  -0.760 -11.750
  413    H    ASN  52           H        ASN  52   5.804   0.723 -12.112
  414    HA   ASN  52           HA       ASN  52   3.048   0.308 -12.521
  415    HB2  ASN  52           2HB      ASN  52   4.028   1.521 -10.576
  416    HB3  ASN  52           1HB      ASN  52   4.351   2.896 -11.634
  417   HD21  ASN  52          1HD2      ASN  52   1.664   0.919 -10.282
  418   HD22  ASN  52          2HD2      ASN  52   0.481   2.120 -10.491
  419    H    ILE  53           H        ILE  53   5.182   2.697 -14.110
  420    HA   ILE  53           HA       ILE  53   3.138   4.076 -15.519
  421    HB   ILE  53           HB       ILE  53   5.985   3.507 -16.389
  422   HG12  ILE  53          2HG1      ILE  53   4.819   5.872 -14.886
  423   HG13  ILE  53          1HG1      ILE  53   5.771   4.586 -14.145
  424   HG21  ILE  53          1HG2      ILE  53   4.628   4.311 -18.232
  425   HG22  ILE  53          2HG2      ILE  53   5.669   5.623 -17.680
  426   HG23  ILE  53          3HG2      ILE  53   3.966   5.598 -17.226
  427   HD11  ILE  53          3HD1      ILE  53   6.667   6.617 -16.195
  428   HD12  ILE  53          1HD1      ILE  53   7.587   5.148 -15.868
  429   HD13  ILE  53          2HD1      ILE  53   7.329   6.331 -14.586
  430    H    LYS  54           H        LYS  54   5.078   1.230 -16.457
  431    HA   LYS  54           HA       LYS  54   3.917   0.868 -19.032
  432    HB2  LYS  54           2HB      LYS  54   5.964  -0.316 -18.199
  433    HB3  LYS  54           1HB      LYS  54   4.933  -1.284 -17.148
  434    HG2  LYS  54           2HG      LYS  54   5.194  -2.654 -19.042
  435    HG3  LYS  54           1HG      LYS  54   3.642  -1.874 -19.331
  436    HD2  LYS  54           2HD      LYS  54   4.645  -0.271 -20.835
  437    HD3  LYS  54           1HD      LYS  54   6.268  -0.818 -20.413
  438    HE2  LYS  54           2HE      LYS  54   5.510  -3.132 -21.260
  439    HE3  LYS  54           1HE      LYS  54   4.149  -2.281 -21.990
  440    HZ1  LYS  54           3HZ      LYS  54   5.474  -1.241 -23.481
  441    HZ2  LYS  54           1HZ      LYS  54   6.432  -2.622 -23.247
  442    HZ3  LYS  54           2HZ      LYS  54   6.813  -1.178 -22.437
  443    H    LYS  55           H        LYS  55   2.916  -0.191 -15.815
  444    HA   LYS  55           HA       LYS  55   0.299  -1.025 -16.999
  445    HB2  LYS  55           2HB      LYS  55   1.588  -3.012 -16.301
  446    HB3  LYS  55           1HB      LYS  55   1.776  -2.324 -14.688
  447    HG2  LYS  55           2HG      LYS  55  -0.676  -2.329 -14.397
  448    HG3  LYS  55           1HG      LYS  55  -0.864  -3.028 -16.006
  449    HD2  LYS  55           2HD      LYS  55   0.545  -4.968 -15.262
  450    HD3  LYS  55           1HD      LYS  55   0.537  -4.289 -13.633
  451    HE2  LYS  55           2HE      LYS  55  -2.142  -4.256 -14.311
  452    HE3  LYS  55           1HE      LYS  55  -1.574  -5.751 -15.055
  453    HZ1  LYS  55           3HZ      LYS  55  -1.465  -4.953 -12.213
  454    HZ2  LYS  55           1HZ      LYS  55  -0.448  -6.164 -12.823
  455    HZ3  LYS  55           2HZ      LYS  55  -2.134  -6.358 -12.897
  456    H    ASN  56           H        ASN  56  -1.226   0.377 -16.275
  457    HA   ASN  56           HA       ASN  56  -0.800   1.676 -13.629
  458    HB2  ASN  56           2HB      ASN  56  -1.288   3.017 -15.794
  459    HB3  ASN  56           1HB      ASN  56  -2.944   2.436 -15.608
  460   HD21  ASN  56          1HD2      ASN  56  -1.839   2.541 -12.509
  461   HD22  ASN  56          2HD2      ASN  56  -2.281   4.121 -12.081
  462    H    VAL  57           H        VAL  57  -2.171   1.259 -11.952
  463    HA   VAL  57           HA       VAL  57  -4.612  -0.363 -12.520
  464    HB   VAL  57           HB       VAL  57  -2.816  -1.838 -11.695
  465   HG11  VAL  57          1HG1      VAL  57  -1.790   0.192 -10.395
  466   HG12  VAL  57          2HG1      VAL  57  -1.634  -1.427  -9.718
  467   HG13  VAL  57          3HG1      VAL  57  -2.864  -0.326  -9.096
  468   HG21  VAL  57          3HG2      VAL  57  -5.231  -2.159 -11.010
  469   HG22  VAL  57          1HG2      VAL  57  -4.854  -1.310  -9.511
  470   HG23  VAL  57          2HG2      VAL  57  -4.062  -2.841  -9.880
  471    H    LEU  58           H        LEU  58  -6.360   0.020 -11.096
  472    HA   LEU  58           HA       LEU  58  -6.345   2.654  -9.820
  473    HB2  LEU  58           2HB      LEU  58  -8.318   1.641 -11.060
  474    HB3  LEU  58           1HB      LEU  58  -8.513   0.534  -9.705
  475    HG   LEU  58           HG       LEU  58  -8.439   3.544  -9.358
  476   HD11  LEU  58          1HD1      LEU  58 -10.483   3.632 -10.293
  477   HD12  LEU  58          2HD1      LEU  58 -11.061   2.606  -8.979
  478   HD13  LEU  58          3HD1      LEU  58 -10.519   1.880 -10.490
  479   HD21  LEU  58          3HD2      LEU  58  -8.831   1.197  -7.593
  480   HD22  LEU  58          1HD2      LEU  58 -10.005   2.491  -7.375
  481   HD23  LEU  58          2HD2      LEU  58  -8.287   2.826  -7.198
  482    H    TRP  59           H        TRP  59  -6.038   3.028  -7.652
  483    HA   TRP  59           HA       TRP  59  -5.484   0.674  -5.948
  484    HB2  TRP  59           2HB      TRP  59  -5.073   3.644  -5.526
  485    HB3  TRP  59           1HB      TRP  59  -4.687   2.419  -4.317
  486    HD1  TRP  59           HD       TRP  59  -3.332   4.089  -7.346
  487    HE1  TRP  59           1HE      TRP  59  -1.099   3.004  -8.038
  488    HE3  TRP  59           3HE      TRP  59  -3.406  -0.054  -4.372
  489    HZ2  TRP  59           2HZ      TRP  59   0.454   0.689  -7.412
  490    HZ3  TRP  59           3HZ      TRP  59  -1.538  -1.676  -4.435
  491    HH2  TRP  59           HH       TRP  59   0.388  -1.311  -5.951
  492    H    ASP  60           H        ASP  60  -7.256  -0.164  -5.010
  493    HA   ASP  60           HA       ASP  60  -9.093   1.676  -3.555
  494    HB2  ASP  60           2HB      ASP  60 -10.122   0.912  -5.738
  495    HB3  ASP  60           1HB      ASP  60 -10.024  -0.742  -5.134
  496    H    GLU  61           H        GLU  61 -10.413   0.314  -1.905
  497    HA   GLU  61           HA       GLU  61  -8.642  -1.093  -0.208
  498    HB2  GLU  61           2HB      GLU  61 -11.662  -1.304  -0.411
  499    HB3  GLU  61           1HB      GLU  61 -10.702  -1.925   0.931
  500    HG2  GLU  61           2HG      GLU  61  -9.833   0.367   1.343
  501    HG3  GLU  61           1HG      GLU  61 -10.865   0.970   0.045
  502    H    ASN  62           H        ASN  62 -10.802  -2.285  -2.753
  503    HA   ASN  62           HA       ASN  62 -10.340  -5.084  -2.194
  504    HB2  ASN  62           2HB      ASN  62 -12.283  -4.213  -3.510
  505    HB3  ASN  62           1HB      ASN  62 -11.167  -3.793  -4.810
  506   HD21  ASN  62          1HD2      ASN  62 -10.525  -5.458  -6.230
  507   HD22  ASN  62          2HD2      ASN  62 -10.962  -7.088  -6.037
  508    H    ASN  63           H        ASN  63  -9.128  -2.979  -4.825
  509    HA   ASN  63           HA       ASN  63  -7.243  -4.867  -5.828
  510    HB2  ASN  63           2HB      ASN  63  -8.052  -2.785  -7.003
  511    HB3  ASN  63           1HB      ASN  63  -6.988  -1.853  -5.949
  512   HD21  ASN  63          1HD2      ASN  63  -4.944  -1.491  -6.821
  513   HD22  ASN  63          2HD2      ASN  63  -4.179  -2.489  -7.962
  514    H    MET  64           H        MET  64  -6.921  -2.336  -3.363
  515    HA   MET  64           HA       MET  64  -4.106  -2.473  -3.041
  516    HB2  MET  64           2HB      MET  64  -5.725  -0.802  -1.986
  517    HB3  MET  64           1HB      MET  64  -6.063  -2.039  -0.776
  518    HG2  MET  64           2HG      MET  64  -4.331  -0.661   0.140
  519    HG3  MET  64           1HG      MET  64  -3.552  -2.158  -0.372
  520    HE1  MET  64           3HE      MET  64  -3.909   1.512  -0.577
  521    HE2  MET  64           1HE      MET  64  -4.744   1.259  -2.120
  522    HE3  MET  64           2HE      MET  64  -3.169   2.050  -2.085
  523    H    SER  65           H        SER  65  -6.690  -4.442  -1.578
  524    HA   SER  65           HA       SER  65  -5.009  -5.933   0.189
  525    HB2  SER  65           2HB      SER  65  -7.508  -6.911  -1.222
  526    HB3  SER  65           1HB      SER  65  -6.819  -7.557   0.263
  527    HG   SER  65           HG       SER  65  -8.474  -5.461  -0.091
  528    H    GLU  66           H        GLU  66  -5.972  -6.492  -3.193
  529    HA   GLU  66           HA       GLU  66  -4.648  -9.010  -3.488
  530    HB2  GLU  66           2HB      GLU  66  -6.312  -8.062  -5.110
  531    HB3  GLU  66           1HB      GLU  66  -5.087  -6.901  -5.623
  532    HG2  GLU  66           2HG      GLU  66  -3.582  -8.799  -6.213
  533    HG3  GLU  66           1HG      GLU  66  -4.878  -9.921  -5.797
  534    H    HIS  67           H        HIS  67  -3.529  -5.688  -3.642
  535    HA   HIS  67           HA       HIS  67  -1.041  -6.058  -4.930
  536    HB2  HIS  67           2HB      HIS  67  -2.103  -3.867  -4.252
  537    HB3  HIS  67           1HB      HIS  67  -1.582  -4.198  -2.601
  538    HD1  HIS  67           1HD      HIS  67   0.084  -4.264  -6.038
  539    HD2  HIS  67           2HD      HIS  67   0.875  -3.019  -2.136
  540    HE1  HIS  67           1HE      HIS  67   2.394  -3.226  -6.068
  541    HE2  HIS  67           2HE      HIS  67   2.867  -2.456  -3.705
  542    H    LEU  68           H        LEU  68  -1.848  -6.271  -1.468
  543    HA   LEU  68           HA       LEU  68   0.806  -6.999  -0.640
  544    HB2  LEU  68           2HB      LEU  68  -1.840  -7.563   0.726
  545    HB3  LEU  68           1HB      LEU  68  -0.252  -7.568   1.487
  546    HG   LEU  68           HG       LEU  68  -1.564  -5.175   0.178
  547   HD11  LEU  68          1HD1      LEU  68  -1.158  -6.011   3.048
  548   HD12  LEU  68          2HD1      LEU  68  -2.661  -5.544   2.250
  549   HD13  LEU  68          3HD1      LEU  68  -1.431  -4.330   2.596
  550   HD21  LEU  68          3HD2      LEU  68   1.164  -5.729   1.222
  551   HD22  LEU  68          1HD2      LEU  68   0.467  -4.159   1.608
  552   HD23  LEU  68          2HD2      LEU  68   0.658  -4.649  -0.075
  553    H    THR  69           H        THR  69  -1.959  -8.844  -1.797
  554    HA   THR  69           HA       THR  69  -1.129 -11.418  -0.896
  555    HB   THR  69           HB       THR  69  -2.636 -10.782  -3.446
  556    HG1  THR  69           1HG      THR  69  -3.253 -10.417  -0.848
  557   HG21  THR  69          3HG2      THR  69  -2.098 -13.074  -3.481
  558   HG22  THR  69          1HG2      THR  69  -3.701 -13.042  -2.748
  559   HG23  THR  69          2HG2      THR  69  -2.272 -13.234  -1.732
  560    H    ASN  70           H        ASN  70  -0.308  -9.628  -3.862
  561    HA   ASN  70           HA       ASN  70   2.046 -11.389  -4.192
  562    HB2  ASN  70           2HB      ASN  70  -0.070 -12.257  -5.484
  563    HB3  ASN  70           1HB      ASN  70   0.318 -10.953  -6.604
  564   HD21  ASN  70          1HD2      ASN  70   0.687 -14.104  -6.592
  565   HD22  ASN  70          2HD2      ASN  70   2.273 -14.283  -7.168
  566    HA   PRO  71           HA       PRO  71   2.500  -6.807  -5.259
  567    HB2  PRO  71           2HB      PRO  71   4.771  -6.480  -3.708
  568    HB3  PRO  71           1HB      PRO  71   3.119  -6.114  -3.178
  569    HG2  PRO  71           2HG      PRO  71   4.810  -8.483  -2.606
  570    HG3  PRO  71           1HG      PRO  71   3.633  -7.655  -1.576
  571    HD2  PRO  71           2HD      PRO  71   3.089 -10.016  -2.809
  572    HD3  PRO  71           1HD      PRO  71   1.839  -8.810  -2.456
  573    H    ALA  72           H        ALA  72   4.588  -9.600  -5.314
  574    HA   ALA  72           HA       ALA  72   6.819  -8.432  -6.682
  575    HB1  ALA  72           1HB      ALA  72   6.962 -10.625  -5.595
  576    HB2  ALA  72           2HB      ALA  72   7.377 -10.764  -7.304
  577    HB3  ALA  72           3HB      ALA  72   5.788 -11.283  -6.737
  578    H    LYS  73           H        LYS  73   4.007 -10.252  -7.982
  579    HA   LYS  73           HA       LYS  73   4.823  -9.552 -10.718
  580    HB2  LYS  73           2HB      LYS  73   2.985 -10.946 -11.434
  581    HB3  LYS  73           1HB      LYS  73   3.819 -11.782 -10.124
  582    HG2  LYS  73           2HG      LYS  73   2.131 -10.846  -8.523
  583    HG3  LYS  73           1HG      LYS  73   1.255 -10.176  -9.900
  584    HD2  LYS  73           2HD      LYS  73   1.209 -12.545 -10.852
  585    HD3  LYS  73           1HD      LYS  73   1.760 -13.089  -9.268
  586    HE2  LYS  73           2HE      LYS  73  -0.386 -13.069  -8.586
  587    HE3  LYS  73           1HE      LYS  73  -0.367 -11.313  -8.756
  588    HZ1  LYS  73           3HZ      LYS  73  -1.323 -11.406 -10.818
  589    HZ2  LYS  73           1HZ      LYS  73  -2.072 -12.736 -10.078
  590    HZ3  LYS  73           2HZ      LYS  73  -0.768 -12.979 -11.141
  591    H    TYR  74           H        TYR  74   3.110  -8.016  -8.289
  592    HA   TYR  74           HA       TYR  74   0.908  -6.868  -9.696
  593    HB2  TYR  74           2HB      TYR  74   1.346  -6.830  -7.206
  594    HB3  TYR  74           1HB      TYR  74   2.535  -5.565  -7.499
  595    HD1  TYR  74           1HD      TYR  74   1.828  -3.345  -8.273
  596    HD2  TYR  74           2HD      TYR  74  -1.039  -6.411  -7.425
  597    HE1  TYR  74           1HE      TYR  74   0.051  -1.639  -8.194
  598    HE2  TYR  74           2HE      TYR  74  -2.837  -4.701  -7.351
  599    HH   TYR  74           HH       TYR  74  -2.065  -1.253  -7.532
  600    H    ILE  75           H        ILE  75   4.226  -5.583  -9.163
  601    HA   ILE  75           HA       ILE  75   3.932  -4.051 -11.701
  602    HB   ILE  75           HB       ILE  75   5.187  -2.145 -10.502
  603   HG12  ILE  75          2HG1      ILE  75   4.007  -3.573  -8.099
  604   HG13  ILE  75          1HG1      ILE  75   5.715  -3.485  -8.483
  605   HG21  ILE  75          1HG2      ILE  75   2.800  -1.591  -9.302
  606   HG22  ILE  75          2HG2      ILE  75   2.320  -2.864 -10.421
  607   HG23  ILE  75          3HG2      ILE  75   3.101  -1.410 -11.027
  608   HD11  ILE  75          3HD1      ILE  75   3.918  -1.105  -7.968
  609   HD12  ILE  75          1HD1      ILE  75   5.640  -1.032  -8.338
  610   HD13  ILE  75          2HD1      ILE  75   5.093  -1.765  -6.831
  611    HA   PRO  76           HA       PRO  76   7.898  -6.529 -11.215
  612    HB2  PRO  76           2HB      PRO  76   7.457  -6.664 -14.152
  613    HB3  PRO  76           1HB      PRO  76   7.883  -7.954 -13.014
  614    HG2  PRO  76           2HG      PRO  76   5.427  -7.717 -14.071
  615    HG3  PRO  76           1HG      PRO  76   5.712  -8.353 -12.442
  616    HD2  PRO  76           2HD      PRO  76   4.616  -5.706 -13.259
  617    HD3  PRO  76           1HD      PRO  76   4.317  -6.645 -11.779
  618    H    GLY  77           H        GLY  77   9.895  -5.550 -11.432
  619    HA2  GLY  77           2HA      GLY  77  11.561  -4.258 -12.583
  620    HA3  GLY  77           1HA      GLY  77  10.290  -3.540 -13.562
  621    H    THR  78           H        THR  78   9.574  -3.586 -10.189
  622    HA   THR  78           HA       THR  78  10.193  -0.667 -10.099
  623    HB   THR  78           HB       THR  78   7.812  -1.365  -9.748
  624    HG1  THR  78           1HG      THR  78   9.355   0.037  -7.906
  625   HG21  THR  78          3HG2      THR  78   7.319  -2.272  -7.416
  626   HG22  THR  78          1HG2      THR  78   9.016  -2.725  -7.329
  627   HG23  THR  78          2HG2      THR  78   7.989  -3.428  -8.568
  628    H    LYS  79           H        LYS  79  10.698   0.115  -7.773
  629    HA   LYS  79           HA       LYS  79  12.924  -1.565  -6.774
  630    HB2  LYS  79           2HB      LYS  79  12.130   1.288  -6.127
  631    HB3  LYS  79           1HB      LYS  79  13.581   0.479  -5.540
  632    HG2  LYS  79           2HG      LYS  79  14.275   0.113  -7.918
  633    HG3  LYS  79           1HG      LYS  79  12.881   1.065  -8.431
  634    HD2  LYS  79           2HD      LYS  79  15.036   2.086  -6.559
  635    HD3  LYS  79           1HD      LYS  79  15.002   2.401  -8.295
  636    HE2  LYS  79           2HE      LYS  79  12.581   3.265  -7.853
  637    HE3  LYS  79           1HE      LYS  79  13.095   3.363  -6.169
  638    HZ1  LYS  79           3HZ      LYS  79  14.538   4.618  -8.437
  639    HZ2  LYS  79           1HZ      LYS  79  14.890   4.797  -6.788
  640    HZ3  LYS  79           2HZ      LYS  79  13.450   5.436  -7.422
  641    H    MET  80           H        MET  80   9.819  -1.748  -6.151
  642    HA   MET  80           HA       MET  80   9.582  -1.244  -3.325
  643    HB2  MET  80           2HB      MET  80   8.026  -2.885  -5.312
  644    HB3  MET  80           1HB      MET  80   7.679  -3.029  -3.592
  645    HG2  MET  80           2HG      MET  80   7.906  -0.238  -4.429
  646    HG3  MET  80           1HG      MET  80   6.641  -1.098  -5.303
  647    HE1  MET  80           3HE      MET  80   4.039  -1.205  -3.988
  648    HE2  MET  80           1HE      MET  80   4.340  -2.533  -2.858
  649    HE3  MET  80           2HE      MET  80   5.097  -2.537  -4.449
  650    H    ALA  81           H        ALA  81  10.135  -2.492  -1.600
  651    HA   ALA  81           HA       ALA  81  11.304  -5.191  -2.172
  652    HB1  ALA  81           1HB      ALA  81  12.822  -4.839  -0.324
  653    HB2  ALA  81           2HB      ALA  81  12.000  -3.346   0.128
  654    HB3  ALA  81           3HB      ALA  81  12.922  -3.425  -1.374
  655    H    PHE  82           H        PHE  82   8.485  -4.367  -1.462
  656    HA   PHE  82           HA       PHE  82   8.176  -5.476   1.265
  657    HB2  PHE  82           2HB      PHE  82   6.836  -3.493   0.500
  658    HB3  PHE  82           1HB      PHE  82   6.048  -4.535  -0.685
  659    HD1  PHE  82           2HD      PHE  82   4.495  -6.289   0.011
  660    HD2  PHE  82           1HD      PHE  82   6.398  -3.745   2.896
  661    HE1  PHE  82           2HE      PHE  82   2.898  -7.060   1.736
  662    HE2  PHE  82           1HE      PHE  82   4.790  -4.508   4.624
  663    HZ   PHE  82           HZ       PHE  82   3.035  -6.162   4.041
  664    H    GLY  83           H        GLY  83   7.630  -7.591   1.617
  665    HA2  GLY  83           2HA      GLY  83   7.307  -9.356  -0.715
  666    HA3  GLY  83           1HA      GLY  83   7.456  -9.876   0.963
  667    H    GLY  84           H        GLY  84   5.539 -11.191  -0.305
  668    HA2  GLY  84           2HA      GLY  84   2.981  -9.746  -0.120
  669    HA3  GLY  84           1HA      GLY  84   3.186 -11.417  -0.651
  670    H    LEU  85           H        LEU  85   1.215 -10.558   1.261
  671    HA   LEU  85           HA       LEU  85   2.279 -11.631   3.834
  672    HB2  LEU  85           2HB      LEU  85  -0.378 -10.276   3.273
  673    HB3  LEU  85           1HB      LEU  85   0.274 -10.688   4.859
  674    HG   LEU  85           HG       LEU  85   1.470  -8.720   2.885
  675   HD11  LEU  85          1HD1      LEU  85   0.479  -8.182   5.685
  676   HD12  LEU  85          2HD1      LEU  85  -0.606  -8.104   4.298
  677   HD13  LEU  85          3HD1      LEU  85   0.786  -7.025   4.389
  678   HD21  LEU  85          3HD2      LEU  85   3.349  -9.611   3.959
  679   HD22  LEU  85          1HD2      LEU  85   2.463  -9.939   5.449
  680   HD23  LEU  85          2HD2      LEU  85   2.919  -8.286   5.040
  681    H    LYS  86           H        LYS  86   1.575 -13.605   4.587
  682    HA   LYS  86           HA       LYS  86  -0.197 -15.159   2.795
  683    HB2  LYS  86           2HB      LYS  86   1.408 -16.002   5.227
  684    HB3  LYS  86           1HB      LYS  86   0.507 -17.092   4.173
  685    HG2  LYS  86           2HG      LYS  86   1.890 -16.225   2.241
  686    HG3  LYS  86           1HG      LYS  86   2.886 -15.374   3.423
  687    HD2  LYS  86           2HD      LYS  86   2.383 -18.365   3.426
  688    HD3  LYS  86           1HD      LYS  86   3.841 -17.592   2.802
  689    HE2  LYS  86           2HE      LYS  86   4.599 -17.947   4.930
  690    HE3  LYS  86           1HE      LYS  86   3.725 -16.450   5.257
  691    HZ1  LYS  86           3HZ      LYS  86   1.831 -17.684   5.963
  692    HZ2  LYS  86           1HZ      LYS  86   3.179 -18.288   6.797
  693    HZ3  LYS  86           2HZ      LYS  86   2.532 -19.156   5.489
  694    H    LYS  87           H        LYS  87  -0.570 -13.195   5.479
  695    HA   LYS  87           HA       LYS  87  -2.820 -14.814   6.561
  696    HB2  LYS  87           2HB      LYS  87  -1.401 -12.378   7.666
  697    HB3  LYS  87           1HB      LYS  87  -2.779 -13.163   8.439
  698    HG2  LYS  87           2HG      LYS  87  -1.468 -15.302   8.470
  699    HG3  LYS  87           1HG      LYS  87  -0.076 -14.405   7.861
  700    HD2  LYS  87           2HD      LYS  87  -0.241 -12.889   9.836
  701    HD3  LYS  87           1HD      LYS  87  -1.545 -13.899  10.463
  702    HE2  LYS  87           2HE      LYS  87   0.256 -14.875  11.541
  703    HE3  LYS  87           1HE      LYS  87   0.238 -15.835  10.061
  704    HZ1  LYS  87           3HZ      LYS  87   1.906 -13.431  10.565
  705    HZ2  LYS  87           1HZ      LYS  87   1.863 -14.303   9.111
  706    HZ3  LYS  87           2HZ      LYS  87   2.454 -15.039  10.525
  707    H    GLU  88           H        GLU  88  -4.887 -14.206   6.168
  708    HA   GLU  88           HA       GLU  88  -5.372 -11.899   4.427
  709    HB2  GLU  88           2HB      GLU  88  -6.574 -14.066   4.140
  710    HB3  GLU  88           1HB      GLU  88  -7.364 -13.798   5.695
  711    HG2  GLU  88           2HG      GLU  88  -8.279 -11.649   4.819
  712    HG3  GLU  88           1HG      GLU  88  -7.569 -12.019   3.248
  713    H    LYS  89           H        LYS  89  -6.302 -12.854   7.746
  714    HA   LYS  89           HA       LYS  89  -7.891 -10.572   8.318
  715    HB2  LYS  89           2HB      LYS  89  -6.187 -12.259  10.173
  716    HB3  LYS  89           1HB      LYS  89  -7.398 -11.093  10.710
  717    HG2  LYS  89           2HG      LYS  89  -9.120 -12.341   9.398
  718    HG3  LYS  89           1HG      LYS  89  -7.897 -13.549   9.004
  719    HD2  LYS  89           2HD      LYS  89  -7.548 -13.931  11.450
  720    HD3  LYS  89           1HD      LYS  89  -8.874 -12.814  11.779
  721    HE2  LYS  89           2HE      LYS  89 -10.190 -14.662  11.680
  722    HE3  LYS  89           1HE      LYS  89 -10.010 -14.502   9.932
  723    HZ1  LYS  89           3HZ      LYS  89  -9.020 -16.528  11.649
  724    HZ2  LYS  89           1HZ      LYS  89  -7.738 -15.790  10.818
  725    HZ3  LYS  89           2HZ      LYS  89  -9.030 -16.472   9.950
  726    H    ASP  90           H        ASP  90  -4.400 -11.099   8.941
  727    HA   ASP  90           HA       ASP  90  -3.944  -8.512  10.068
  728    HB2  ASP  90           2HB      ASP  90  -2.085 -10.408   8.607
  729    HB3  ASP  90           1HB      ASP  90  -1.549  -8.959   9.454
  730    H    ARG  91           H        ARG  91  -3.831  -9.726   6.746
  731    HA   ARG  91           HA       ARG  91  -2.728  -7.434   5.492
  732    HB2  ARG  91           2HB      ARG  91  -3.107  -9.640   4.388
  733    HB3  ARG  91           1HB      ARG  91  -4.839  -9.311   4.387
  734    HG2  ARG  91           2HG      ARG  91  -4.389  -7.223   3.078
  735    HG3  ARG  91           1HG      ARG  91  -2.694  -7.704   2.977
  736    HD2  ARG  91           2HD      ARG  91  -5.031  -9.351   1.972
  737    HD3  ARG  91           1HD      ARG  91  -3.957  -8.392   0.959
  738    HE   ARG  91           HE       ARG  91  -2.183 -10.006   2.253
  739   HH11  ARG  91          1HH2      ARG  91  -5.203 -10.566   0.684
  740   HH12  ARG  91          2HH2      ARG  91  -4.800 -12.176   0.194
  741   HH21  ARG  91          1HH1      ARG  91  -1.640 -12.108   1.620
  742   HH22  ARG  91          2HH1      ARG  91  -2.783 -13.050   0.723
  743    H    ASN  92           H        ASN  92  -6.124  -8.206   6.280
  744    HA   ASN  92           HA       ASN  92  -7.283  -5.940   5.010
  745    HB2  ASN  92           2HB      ASN  92  -8.175  -7.517   7.439
  746    HB3  ASN  92           1HB      ASN  92  -9.171  -6.319   6.619
  747   HD21  ASN  92          1HD2      ASN  92 -10.044  -9.006   6.707
  748   HD22  ASN  92          2HD2      ASN  92  -9.949  -9.673   5.152
  749    H    ASP  93           H        ASP  93  -5.976  -6.343   8.305
  750    HA   ASP  93           HA       ASP  93  -6.813  -3.794   9.275
  751    HB2  ASP  93           2HB      ASP  93  -4.424  -5.492  10.053
  752    HB3  ASP  93           1HB      ASP  93  -5.017  -4.106  10.967
  753    H    LEU  94           H        LEU  94  -3.849  -4.806   7.560
  754    HA   LEU  94           HA       LEU  94  -2.417  -2.378   7.814
  755    HB2  LEU  94           2HB      LEU  94  -1.440  -4.436   6.848
  756    HB3  LEU  94           1HB      LEU  94  -2.478  -4.259   5.432
  757    HG   LEU  94           HG       LEU  94  -1.441  -2.069   4.942
  758   HD11  LEU  94          1HD1      LEU  94  -0.715  -1.139   6.933
  759   HD12  LEU  94          2HD1      LEU  94   0.811  -1.765   6.310
  760   HD13  LEU  94          3HD1      LEU  94  -0.077  -2.667   7.539
  761   HD21  LEU  94          3HD2      LEU  94   1.034  -3.571   5.206
  762   HD22  LEU  94          1HD2      LEU  94   0.140  -3.148   3.747
  763   HD23  LEU  94          2HD2      LEU  94  -0.279  -4.606   4.647
  764    H    ILE  95           H        ILE  95  -4.786  -3.348   5.322
  765    HA   ILE  95           HA       ILE  95  -4.618  -0.891   3.848
  766    HB   ILE  95           HB       ILE  95  -6.931  -2.825   4.062
  767   HG12  ILE  95          2HG1      ILE  95  -4.687  -2.691   2.027
  768   HG13  ILE  95          1HG1      ILE  95  -4.753  -3.848   3.359
  769   HG21  ILE  95          1HG2      ILE  95  -6.618  -0.314   2.715
  770   HG22  ILE  95          2HG2      ILE  95  -7.999  -1.409   2.679
  771   HG23  ILE  95          3HG2      ILE  95  -6.696  -1.596   1.507
  772   HD11  ILE  95          3HD1      ILE  95  -7.277  -3.942   2.069
  773   HD12  ILE  95          1HD1      ILE  95  -6.033  -5.192   2.092
  774   HD13  ILE  95          2HD1      ILE  95  -6.053  -3.991   0.800
  775    H    THR  96           H        THR  96  -6.800  -2.001   6.423
  776    HA   THR  96           HA       THR  96  -8.493   0.279   6.460
  777    HB   THR  96           HB       THR  96  -7.698  -1.394   8.856
  778    HG1  THR  96           1HG      THR  96  -9.162  -2.851   8.173
  779   HG21  THR  96          3HG2      THR  96  -9.551  -0.536   9.898
  780   HG22  THR  96          1HG2      THR  96 -10.450  -0.374   8.389
  781   HG23  THR  96          2HG2      THR  96  -9.228   0.824   8.821
  782    H    TYR  97           H        TYR  97  -5.405  -0.351   8.125
  783    HA   TYR  97           HA       TYR  97  -5.403   1.944   9.790
  784    HB2  TYR  97           2HB      TYR  97  -3.737   0.107   9.946
  785    HB3  TYR  97           1HB      TYR  97  -3.014   0.658   8.434
  786    HD1  TYR  97           1HD      TYR  97  -3.766   1.655  11.940
  787    HD2  TYR  97           2HD      TYR  97  -1.530   2.523   8.378
  788    HE1  TYR  97           1HE      TYR  97  -2.419   3.319  13.192
  789    HE2  TYR  97           2HE      TYR  97  -0.182   4.187   9.629
  790    HH   TYR  97           HH       TYR  97  -0.968   5.602  12.233
  791    H    LEU  98           H        LEU  98  -4.087   1.579   6.471
  792    HA   LEU  98           HA       LEU  98  -3.370   4.370   6.261
  793    HB2  LEU  98           2HB      LEU  98  -3.885   2.283   4.122
  794    HB3  LEU  98           1HB      LEU  98  -3.232   3.888   3.804
  795    HG   LEU  98           HG       LEU  98  -1.965   1.812   5.617
  796   HD11  LEU  98          1HD1      LEU  98  -1.001   1.004   3.749
  797   HD12  LEU  98          2HD1      LEU  98  -0.322   2.599   3.417
  798   HD13  LEU  98          3HD1      LEU  98  -1.904   2.161   2.772
  799   HD21  LEU  98          3HD2      LEU  98  -1.114   3.756   6.500
  800   HD22  LEU  98          1HD2      LEU  98  -1.461   4.689   5.045
  801   HD23  LEU  98          2HD2      LEU  98  -0.042   3.645   5.104
  802    H    LYS  99           H        LYS  99  -6.243   2.493   5.475
  803    HA   LYS  99           HA       LYS  99  -7.637   4.425   3.956
  804    HB2  LYS  99           2HB      LYS  99  -8.359   2.048   4.321
  805    HB3  LYS  99           1HB      LYS  99  -8.827   2.486   5.963
  806    HG2  LYS  99           2HG      LYS  99 -10.847   2.699   4.821
  807    HG3  LYS  99           1HG      LYS  99 -10.238   4.353   4.775
  808    HD2  LYS  99           2HD      LYS  99  -9.303   3.945   2.520
  809    HD3  LYS  99           1HD      LYS  99  -9.922   2.295   2.567
  810    HE2  LYS  99           2HE      LYS  99 -11.410   4.873   2.268
  811    HE3  LYS  99           1HE      LYS  99 -11.654   3.337   1.440
  812    HZ1  LYS  99           3HZ      LYS  99 -12.456   2.431   3.588
  813    HZ2  LYS  99           1HZ      LYS  99 -13.440   3.658   2.955
  814    HZ3  LYS  99           2HZ      LYS  99 -12.380   4.000   4.239
  815    H    LYS 100           H        LYS 100  -7.498   3.971   7.493
  816    HA   LYS 100           HA       LYS 100  -9.350   6.026   8.181
  817    HB2  LYS 100           2HB      LYS 100  -6.923   4.975   9.661
  818    HB3  LYS 100           1HB      LYS 100  -8.121   6.057  10.372
  819    HG2  LYS 100           2HG      LYS 100  -9.892   4.392   9.896
  820    HG3  LYS 100           1HG      LYS 100  -8.671   3.300   9.240
  821    HD2  LYS 100           2HD      LYS 100  -7.507   3.276  11.404
  822    HD3  LYS 100           1HD      LYS 100  -8.702   4.389  12.063
  823    HE2  LYS 100           2HE      LYS 100 -10.394   2.523  11.194
  824    HE3  LYS 100           1HE      LYS 100  -8.978   1.489  11.385
  825    HZ1  LYS 100           3HZ      LYS 100  -9.536   1.399  13.521
  826    HZ2  LYS 100           1HZ      LYS 100 -10.650   2.672  13.383
  827    HZ3  LYS 100           2HZ      LYS 100  -9.005   3.008  13.647
  828    H    ALA 101           H        ALA 101  -5.825   6.114   7.770
  829    HA   ALA 101           HA       ALA 101  -5.473   8.868   8.415
  830    HB1  ALA 101           1HB      ALA 101  -3.295   8.578   7.721
  831    HB2  ALA 101           2HB      ALA 101  -3.763   7.663   6.289
  832    HB3  ALA 101           3HB      ALA 101  -3.754   6.880   7.869
  833    H    THR 102           H        THR 102  -6.416   7.260   5.419
  834    HA   THR 102           HA       THR 102  -6.165   9.603   3.748
  835    HB   THR 102           HB       THR 102  -7.433   8.322   2.108
  836    HG1  THR 102           1HG      THR 102  -8.940   7.082   2.837
  837   HG21  THR 102          3HG2      THR 102  -5.172   7.246   3.587
  838   HG22  THR 102          1HG2      THR 102  -5.465   7.258   1.847
  839   HG23  THR 102          2HG2      THR 102  -6.130   5.964   2.846
  840    H    GLU 103           H        GLU 103  -8.524   8.529   6.041
  841    HA   GLU 103           HA       GLU 103 -10.798   9.949   4.986
  842    HB2  GLU 103           2HB      GLU 103 -10.929   8.142   6.719
  843    HB3  GLU 103           1HB      GLU 103 -10.204   9.257   7.879
  844    HG2  GLU 103           2HG      GLU 103 -12.081  10.848   7.470
  845    HG3  GLU 103           1HG      GLU 103 -12.825   9.652   6.407
  846    HHA  HEC 201           HA       HEC 104   5.294   3.059  -5.824
  847    HHB  HEC 201           HB       HEC 104   1.431   0.433  -1.567
  848    HHC  HEC 201           HC       HEC 104   6.382  -0.878   2.114
  849    HHD  HEC 201           HD       HEC 104  10.250   1.795  -2.131
  850   HMA1  HEC 201          1HMA      HEC 104   0.370   2.135  -2.701
  851   HMA2  HEC 201          2HMA      HEC 104   0.161   1.039  -4.067
  852   HMA3  HEC 201          3HMA      HEC 104   0.372   2.768  -4.347
  853   HAA1  HEC 201          1HAA      HEC 104   3.100   1.795  -6.810
  854   HAA2  HEC 201          2HAA      HEC 104   1.520   2.338  -6.276
  855   HBA1  HEC 201          1HBA      HEC 104   3.510   3.891  -7.508
  856   HBA2  HEC 201          2HBA      HEC 104   3.480   4.414  -5.825
  857   HMB1  HEC 201          1HMB      HEC 104   1.552  -2.228   1.096
  858   HMB2  HEC 201          2HMB      HEC 104   0.696  -0.689   1.041
  859   HMB3  HEC 201          3HMB      HEC 104   1.138  -1.513  -0.451
  860    HAB  HEC 201           HAB      HEC 104   4.585  -1.600   3.181
  861   HBB1  HEC 201          1HBB      HEC 104   1.611  -1.062   3.055
  862   HBB2  HEC 201          2HBB      HEC 104   2.471  -1.587   4.495
  863   HBB3  HEC 201          3HBB      HEC 104   2.402  -2.640   3.089
  864   HMC1  HEC 201          1HMC      HEC 104   8.903  -2.104   1.707
  865   HMC2  HEC 201          2HMC      HEC 104   8.634  -0.912   2.980
  866   HMC3  HEC 201          3HMC      HEC 104  10.212  -1.029   2.200
  867    HAC  HEC 201           HAC      HEC 104  11.242   1.753  -0.178
  868   HBC1  HEC 201          1HBC      HEC 104  11.431  -1.079   0.006
  869   HBC2  HEC 201          2HBC      HEC 104  12.729   0.072  -0.317
  870   HBC3  HEC 201          3HBC      HEC 104  12.363  -0.403   1.342
  871   HMD1  HEC 201          1HMD      HEC 104  10.847   3.561  -4.382
  872   HMD2  HEC 201          2HMD      HEC 104  10.343   2.664  -5.814
  873   HMD3  HEC 201          3HMD      HEC 104  10.812   1.797  -4.348
  874   HAD1  HEC 201          1HAD      HEC 104   8.742   4.645  -6.082
  875   HAD2  HEC 201          2HAD      HEC 104   6.988   4.676  -6.057
  876   HBD1  HEC 201          1HBD      HEC 104   8.605   3.736  -8.130
  877   HBD2  HEC 201          2HBD      HEC 104   7.972   2.278  -7.367
  Start of MODEL   20
    1    H1   THR  -5           1HT      THR  -5 -15.728 -11.923  -1.358
    2    H2   THR  -5           2HT      THR  -5 -14.161 -11.952  -2.015
    3    H3   THR  -5           3HT      THR  -5 -15.000 -10.481  -1.878
    4    HA   THR  -5           HA       THR  -5 -14.687 -11.924   0.610
    5    HB   THR  -5           HB       THR  -5 -12.250 -10.591   0.387
    6    HG1  THR  -5           1HG      THR  -5 -13.033 -11.107  -2.025
    7   HG21  THR  -5          1HG2      THR  -5 -12.665 -12.687   1.594
    8   HG22  THR  -5          2HG2      THR  -5 -11.303 -12.877   0.490
    9   HG23  THR  -5          3HG2      THR  -5 -12.883 -13.537   0.066
   10    H    GLU  -4           H        GLU  -4 -14.714  -9.105  -1.448
   11    HA   GLU  -4           HA       GLU  -4 -14.896  -6.808  -0.923
   12    HB2  GLU  -4           2HB      GLU  -4 -16.728  -8.054   1.151
   13    HB3  GLU  -4           1HB      GLU  -4 -16.764  -6.366   0.640
   14    HG2  GLU  -4           2HG      GLU  -4 -17.210  -7.107  -1.693
   15    HG3  GLU  -4           1HG      GLU  -4 -17.263  -8.778  -1.127
   16    H    PHE  -3           H        PHE  -3 -15.485  -5.726   1.732
   17    HA   PHE  -3           HA       PHE  -3 -12.744  -5.932   2.853
   18    HB2  PHE  -3           2HB      PHE  -3 -13.682  -3.681   2.356
   19    HB3  PHE  -3           1HB      PHE  -3 -14.984  -3.989   3.504
   20    HD1  PHE  -3           1HD      PHE  -3 -14.504  -4.227   5.922
   21    HD2  PHE  -3           2HD      PHE  -3 -11.439  -3.164   3.106
   22    HE1  PHE  -3           1HE      PHE  -3 -13.057  -3.460   7.785
   23    HE2  PHE  -3           2HE      PHE  -3  -9.995  -2.395   4.970
   24    HZ   PHE  -3           HZ       PHE  -3 -10.805  -2.545   7.307
   25    H    LYS  -2           H        LYS  -2 -12.388  -7.065   4.702
   26    HA   LYS  -2           HA       LYS  -2 -14.768  -7.992   6.240
   27    HB2  LYS  -2           2HB      LYS  -2 -13.157  -9.699   5.347
   28    HB3  LYS  -2           1HB      LYS  -2 -11.911  -8.994   6.378
   29    HG2  LYS  -2           2HG      LYS  -2 -13.217  -9.495   8.375
   30    HG3  LYS  -2           1HG      LYS  -2 -14.549 -10.096   7.385
   31    HD2  LYS  -2           2HD      LYS  -2 -13.279 -12.003   8.177
   32    HD3  LYS  -2           1HD      LYS  -2 -12.984 -11.826   6.446
   33    HE2  LYS  -2           2HE      LYS  -2 -10.825 -10.967   6.771
   34    HE3  LYS  -2           1HE      LYS  -2 -11.159 -10.496   8.439
   35    HZ1  LYS  -2           3HZ      LYS  -2 -10.883 -13.266   7.400
   36    HZ2  LYS  -2           1HZ      LYS  -2 -11.336 -12.875   8.987
   37    HZ3  LYS  -2           2HZ      LYS  -2  -9.793 -12.450   8.417
   38    H    ALA  -1           H        ALA  -1 -15.034  -7.379   8.367
   39    HA   ALA  -1           HA       ALA  -1 -13.982  -5.076   9.454
   40    HB1  ALA  -1           1HB      ALA  -1 -15.635  -5.892  10.826
   41    HB2  ALA  -1           2HB      ALA  -1 -14.246  -6.484  11.738
   42    HB3  ALA  -1           3HB      ALA  -1 -15.105  -7.565  10.641
   43    H    GLY   1           H        GLY   1 -11.790  -4.668   9.280
   44    HA2  GLY   1           2HA      GLY   1  -9.892  -6.735  10.252
   45    HA3  GLY   1           1HA      GLY   1  -9.455  -5.308   9.314
   46    H    SER   2           H        SER   2  -8.784  -6.484  12.154
   47    HA   SER   2           HA       SER   2  -9.624  -4.627  14.125
   48    HB2  SER   2           2HB      SER   2  -8.363  -6.755  14.568
   49    HB3  SER   2           1HB      SER   2  -6.909  -5.971  13.956
   50    HG   SER   2           HG       SER   2  -7.414  -5.917  16.336
   51    H    ALA   3           H        ALA   3  -7.083  -4.422  11.691
   52    HA   ALA   3           HA       ALA   3  -5.974  -2.514  10.879
   53    HB1  ALA   3           1HB      ALA   3  -7.105  -0.632  12.841
   54    HB2  ALA   3           2HB      ALA   3  -8.312  -1.497  11.891
   55    HB3  ALA   3           3HB      ALA   3  -7.074  -0.537  11.082
   56    H    LYS   4           H        LYS   4  -6.293  -2.873  14.389
   57    HA   LYS   4           HA       LYS   4  -4.046  -1.307  15.148
   58    HB2  LYS   4           2HB      LYS   4  -5.720  -2.280  16.735
   59    HB3  LYS   4           1HB      LYS   4  -5.002  -3.869  16.463
   60    HG2  LYS   4           2HG      LYS   4  -2.815  -2.990  17.244
   61    HG3  LYS   4           1HG      LYS   4  -3.576  -1.434  17.577
   62    HD2  LYS   4           2HD      LYS   4  -5.160  -2.601  19.127
   63    HD3  LYS   4           1HD      LYS   4  -4.252  -4.091  18.871
   64    HE2  LYS   4           2HE      LYS   4  -2.362  -2.060  19.490
   65    HE3  LYS   4           1HE      LYS   4  -3.665  -1.934  20.672
   66    HZ1  LYS   4           3HZ      LYS   4  -3.240  -4.617  20.411
   67    HZ2  LYS   4           1HZ      LYS   4  -2.699  -3.639  21.688
   68    HZ3  LYS   4           2HZ      LYS   4  -1.674  -3.961  20.372
   69    H    LYS   5           H        LYS   5  -4.225  -4.806  14.393
   70    HA   LYS   5           HA       LYS   5  -1.418  -5.283  14.716
   71    HB2  LYS   5           2HB      LYS   5  -3.467  -6.708  12.988
   72    HB3  LYS   5           1HB      LYS   5  -1.847  -7.317  13.331
   73    HG2  LYS   5           2HG      LYS   5  -2.375  -7.242  15.770
   74    HG3  LYS   5           1HG      LYS   5  -4.022  -6.754  15.367
   75    HD2  LYS   5           2HD      LYS   5  -4.263  -8.844  14.015
   76    HD3  LYS   5           1HD      LYS   5  -2.666  -9.346  14.573
   77    HE2  LYS   5           2HE      LYS   5  -3.707  -8.842  16.960
   78    HE3  LYS   5           1HE      LYS   5  -5.226  -9.124  16.109
   79    HZ1  LYS   5           3HZ      LYS   5  -3.174 -11.058  15.522
   80    HZ2  LYS   5           1HZ      LYS   5  -4.805 -11.294  15.923
   81    HZ3  LYS   5           2HZ      LYS   5  -3.656 -11.051  17.151
   82    H    GLY   6           H        GLY   6  -3.387  -4.408  11.887
   83    HA2  GLY   6           2HA      GLY   6  -1.278  -4.493   9.963
   84    HA3  GLY   6           1HA      GLY   6  -2.754  -3.542   9.802
   85    H    ALA   7           H        ALA   7  -2.276  -2.036  12.284
   86    HA   ALA   7           HA       ALA   7  -0.856   0.180  11.215
   87    HB1  ALA   7           1HB      ALA   7  -1.056  -0.330  14.178
   88    HB2  ALA   7           2HB      ALA   7  -2.494   0.058  13.234
   89    HB3  ALA   7           3HB      ALA   7  -1.156   1.204  13.313
   90    H    THR   8           H        THR   8   0.209  -2.371  13.464
   91    HA   THR   8           HA       THR   8   2.888  -1.292  13.708
   92    HB   THR   8           HB       THR   8   3.397  -3.380  14.846
   93    HG1  THR   8           1HG      THR   8   1.299  -4.239  13.299
   94   HG21  THR   8          3HG2      THR   8   2.178  -2.761  16.635
   95   HG22  THR   8          1HG2      THR   8   0.674  -3.242  15.850
   96   HG23  THR   8          2HG2      THR   8   1.340  -1.632  15.570
   97    H    LEU   9           H        LEU   9   1.331  -3.706  11.620
   98    HA   LEU   9           HA       LEU   9   3.679  -4.774  10.418
   99    HB2  LEU   9           2HB      LEU   9   1.328  -5.626  10.064
  100    HB3  LEU   9           1HB      LEU   9   1.036  -4.231   9.028
  101    HG   LEU   9           HG       LEU   9   3.258  -5.067   7.842
  102   HD11  LEU   9          1HD1      LEU   9   2.141  -7.737   8.614
  103   HD12  LEU   9          2HD1      LEU   9   3.264  -6.939   9.718
  104   HD13  LEU   9          3HD1      LEU   9   3.767  -7.319   8.070
  105   HD21  LEU   9          3HD2      LEU   9   0.512  -6.316   7.523
  106   HD22  LEU   9          1HD2      LEU   9   1.809  -6.470   6.338
  107   HD23  LEU   9          2HD2      LEU   9   1.127  -4.884   6.696
  108    H    PHE  10           H        PHE  10   1.747  -1.908   9.687
  109    HA   PHE  10           HA       PHE  10   3.198  -1.061   7.370
  110    HB2  PHE  10           2HB      PHE  10   0.967  -0.172   8.087
  111    HB3  PHE  10           1HB      PHE  10   1.756   0.637   9.435
  112    HD1  PHE  10           2HD      PHE  10   1.454   0.519   5.740
  113    HD2  PHE  10           1HD      PHE  10   3.050   2.633   9.122
  114    HE1  PHE  10           2HE      PHE  10   1.995   2.452   4.280
  115    HE2  PHE  10           1HE      PHE  10   3.581   4.563   7.663
  116    HZ   PHE  10           HZ       PHE  10   3.062   4.473   5.245
  117    H    LYS  11           H        LYS  11   3.483  -0.242  10.812
  118    HA   LYS  11           HA       LYS  11   5.691   1.551  10.583
  119    HB2  LYS  11           2HB      LYS  11   4.179   1.205  12.602
  120    HB3  LYS  11           1HB      LYS  11   5.099  -0.262  12.932
  121    HG2  LYS  11           2HG      LYS  11   7.187   1.081  13.007
  122    HG3  LYS  11           1HG      LYS  11   6.233   2.544  12.758
  123    HD2  LYS  11           2HD      LYS  11   4.932   1.975  14.828
  124    HD3  LYS  11           1HD      LYS  11   6.047   0.635  15.104
  125    HE2  LYS  11           2HE      LYS  11   7.505   2.040  16.077
  126    HE3  LYS  11           1HE      LYS  11   7.599   2.978  14.587
  127    HZ1  LYS  11           3HZ      LYS  11   5.626   4.196  15.277
  128    HZ2  LYS  11           1HZ      LYS  11   6.859   4.344  16.431
  129    HZ3  LYS  11           2HZ      LYS  11   5.552   3.296  16.717
  130    H    THR  12           H        THR  12   5.546  -1.960  11.065
  131    HA   THR  12           HA       THR  12   8.370  -2.292  11.495
  132    HB   THR  12           HB       THR  12   7.933  -4.674  11.216
  133    HG1  THR  12           1HG      THR  12   5.416  -4.848  10.751
  134   HG21  THR  12          3HG2      THR  12   6.291  -2.909  12.877
  135   HG22  THR  12          1HG2      THR  12   7.151  -4.386  13.315
  136   HG23  THR  12          2HG2      THR  12   5.542  -4.482  12.598
  137    H    ARG  13           H        ARG  13   6.393  -2.359   8.527
  138    HA   ARG  13           HA       ARG  13   8.919  -2.233   6.997
  139    HB2  ARG  13           2HB      ARG  13   6.854  -4.418   6.628
  140    HB3  ARG  13           1HB      ARG  13   8.143  -4.076   5.474
  141    HG2  ARG  13           2HG      ARG  13   9.805  -4.419   7.332
  142    HG3  ARG  13           1HG      ARG  13   8.469  -4.936   8.363
  143    HD2  ARG  13           2HD      ARG  13   7.914  -6.688   6.647
  144    HD3  ARG  13           1HD      ARG  13   9.392  -6.244   5.792
  145    HE   ARG  13           HE       ARG  13   9.974  -6.827   8.551
  146   HH11  ARG  13          1HH2      ARG  13   9.129  -8.223   5.512
  147   HH12  ARG  13          2HH2      ARG  13   9.906  -9.735   5.841
  148   HH21  ARG  13          1HH1      ARG  13  10.996  -8.794   8.995
  149   HH22  ARG  13          2HH1      ARG  13  10.963 -10.059   7.812
  150    H    CYS  14           H        CYS  14   7.455  -0.049   7.054
  151    HA   CYS  14           HA       CYS  14   6.562   0.288   4.344
  152    HB2  CYS  14           2HB      CYS  14   4.642  -0.987   5.600
  153    HB3  CYS  14           1HB      CYS  14   4.300   0.601   6.280
  154    H    LEU  15           H        LEU  15   6.040   1.540   7.647
  155    HA   LEU  15           HA       LEU  15   5.702   4.259   6.932
  156    HB2  LEU  15           2HB      LEU  15   5.259   3.405   9.201
  157    HB3  LEU  15           1HB      LEU  15   6.986   3.133   9.435
  158    HG   LEU  15           HG       LEU  15   6.618   5.820   8.513
  159   HD11  LEU  15          1HD1      LEU  15   5.368   6.626  10.590
  160   HD12  LEU  15          2HD1      LEU  15   4.827   4.961  10.796
  161   HD13  LEU  15          3HD1      LEU  15   4.381   5.862   9.346
  162   HD21  LEU  15          3HD2      LEU  15   8.469   4.823   9.905
  163   HD22  LEU  15          1HD2      LEU  15   7.354   4.806  11.272
  164   HD23  LEU  15          2HD2      LEU  15   7.828   6.339  10.539
  165    H    GLN  16           H        GLN  16   8.657   2.376   7.430
  166    HA   GLN  16           HA       GLN  16  10.523   4.501   7.479
  167    HB2  GLN  16           2HB      GLN  16  10.795   1.741   6.250
  168    HB3  GLN  16           1HB      GLN  16  12.141   2.836   6.558
  169    HG2  GLN  16           2HG      GLN  16  11.607   2.844   8.958
  170    HG3  GLN  16           1HG      GLN  16  10.233   1.777   8.664
  171   HE21  GLN  16          1HE2      GLN  16  12.311   0.928  10.398
  172   HE22  GLN  16          2HE2      GLN  16  13.169  -0.335   9.656
  173    H    CYS  17           H        CYS  17   8.870   2.971   4.752
  174    HA   CYS  17           HA       CYS  17  10.350   4.722   2.861
  175    HB2  CYS  17           2HB      CYS  17   8.413   2.436   2.447
  176    HB3  CYS  17           1HB      CYS  17   9.083   3.398   1.130
  177    H    HIS  18           H        HIS  18   6.963   3.930   3.720
  178    HA   HIS  18           HA       HIS  18   6.104   6.403   2.310
  179    HB2  HIS  18           2HB      HIS  18   4.596   4.016   3.410
  180    HB3  HIS  18           1HB      HIS  18   3.789   5.453   2.779
  181    HD1  HIS  18           1HD      HIS  18   4.390   6.044   0.180
  182    HD2  HIS  18           2HD      HIS  18   5.398   2.220   1.492
  183    HE1  HIS  18           1HE      HIS  18   4.755   4.639  -1.907
  184    H    THR  19           H        THR  19   6.090   8.196   3.578
  185    HA   THR  19           HA       THR  19   5.825   7.980   6.492
  186    HB   THR  19           HB       THR  19   6.181  10.387   6.494
  187    HG1  THR  19           1HG      THR  19   5.316  10.073   3.894
  188   HG21  THR  19          3HG2      THR  19   7.994   9.658   4.268
  189   HG22  THR  19          1HG2      THR  19   8.001   8.561   5.648
  190   HG23  THR  19          2HG2      THR  19   8.375  10.269   5.877
  191    H    VAL  20           H        VAL  20   3.741   8.477   3.789
  192    HA   VAL  20           HA       VAL  20   1.521   9.293   3.646
  193    HB   VAL  20           HB       VAL  20   1.259   6.967   4.398
  194   HG11  VAL  20          1HG1      VAL  20   2.509   6.952   6.455
  195   HG12  VAL  20          2HG1      VAL  20   0.836   6.587   6.866
  196   HG13  VAL  20          3HG1      VAL  20   1.480   8.200   7.158
  197   HG21  VAL  20          3HG2      VAL  20  -0.956   7.354   4.504
  198   HG22  VAL  20          1HG2      VAL  20  -0.601   9.070   4.701
  199   HG23  VAL  20          2HG2      VAL  20  -0.799   8.041   6.121
  200    H    GLU  21           H        GLU  21   3.122  11.202   4.954
  201    HA   GLU  21           HA       GLU  21   1.467  12.080   7.270
  202    HB2  GLU  21           2HB      GLU  21   3.961  12.004   7.523
  203    HB3  GLU  21           1HB      GLU  21   4.087  13.224   6.255
  204    HG2  GLU  21           2HG      GLU  21   2.657  14.743   7.620
  205    HG3  GLU  21           1HG      GLU  21   2.649  13.537   8.907
  206    H    LYS  22           H        LYS  22   0.479  14.152   7.257
  207    HA   LYS  22           HA       LYS  22  -0.621  15.040   4.807
  208    HB2  LYS  22           2HB      LYS  22  -1.412  16.975   6.031
  209    HB3  LYS  22           1HB      LYS  22  -1.498  15.577   7.104
  210    HG2  LYS  22           2HG      LYS  22   0.736  16.227   8.042
  211    HG3  LYS  22           1HG      LYS  22   0.673  17.694   7.065
  212    HD2  LYS  22           2HD      LYS  22  -1.576  18.177   8.176
  213    HD3  LYS  22           1HD      LYS  22  -1.182  16.884   9.310
  214    HE2  LYS  22           2HE      LYS  22   0.453  19.388   8.805
  215    HE3  LYS  22           1HE      LYS  22  -0.483  19.026  10.256
  216    HZ1  LYS  22           3HZ      LYS  22   1.665  18.406  10.812
  217    HZ2  LYS  22           1HZ      LYS  22   1.991  17.743   9.287
  218    HZ3  LYS  22           2HZ      LYS  22   0.954  16.930  10.359
  219    H    GLY  23           H        GLY  23   2.308  16.081   6.512
  220    HA2  GLY  23           2HA      GLY  23   2.911  18.395   5.004
  221    HA3  GLY  23           1HA      GLY  23   4.129  17.344   5.730
  222    H    GLY  24           H        GLY  24   3.225  14.994   4.201
  223    HA2  GLY  24           2HA      GLY  24   3.661  13.949   2.151
  224    HA3  GLY  24           1HA      GLY  24   3.344  15.505   1.385
  225    HA   PRO  25           HA       PRO  25   8.000  15.822   2.544
  226    HB2  PRO  25           2HB      PRO  25   9.116  13.661   3.837
  227    HB3  PRO  25           1HB      PRO  25   8.439  15.074   4.670
  228    HG2  PRO  25           2HG      PRO  25   7.248  12.391   4.220
  229    HG3  PRO  25           1HG      PRO  25   7.132  13.459   5.628
  230    HD2  PRO  25           2HD      PRO  25   5.121  13.197   3.790
  231    HD3  PRO  25           1HD      PRO  25   5.393  14.686   4.721
  232    H    HIS  26           H        HIS  26   6.656  12.751   1.542
  233    HA   HIS  26           HA       HIS  26   7.292  11.253  -0.144
  234    HB2  HIS  26           2HB      HIS  26   8.590  13.793  -1.168
  235    HB3  HIS  26           1HB      HIS  26   8.441  12.309  -2.109
  236    HD1  HIS  26           1HD      HIS  26   5.765  11.357  -2.011
  237    HD2  HIS  26           2HD      HIS  26   6.442  15.457  -1.650
  238    HE1  HIS  26           1HE      HIS  26   3.578  12.496  -2.576
  239    HE2  HIS  26           2HE      HIS  26   3.976  14.992  -2.362
  240    H    LYS  27           H        LYS  27   8.760  10.690   1.960
  241    HA   LYS  27           HA       LYS  27  11.569  11.116   1.843
  242    HB2  LYS  27           2HB      LYS  27  10.188  10.087   3.748
  243    HB3  LYS  27           1HB      LYS  27  10.274   8.572   2.849
  244    HG2  LYS  27           2HG      LYS  27  12.764   8.743   2.858
  245    HG3  LYS  27           1HG      LYS  27  12.634  10.205   3.836
  246    HD2  LYS  27           2HD      LYS  27  11.391   8.886   5.560
  247    HD3  LYS  27           1HD      LYS  27  11.682   7.432   4.605
  248    HE2  LYS  27           2HE      LYS  27  14.003   9.182   5.356
  249    HE3  LYS  27           1HE      LYS  27  13.339   8.067   6.551
  250    HZ1  LYS  27           3HZ      LYS  27  14.484   7.425   3.897
  251    HZ2  LYS  27           1HZ      LYS  27  13.545   6.316   4.773
  252    HZ3  LYS  27           2HZ      LYS  27  15.006   6.889   5.423
  253    H    VAL  28           H        VAL  28  11.552   7.840   1.837
  254    HA   VAL  28           HA       VAL  28  12.963   7.631  -0.654
  255    HB   VAL  28           HB       VAL  28  11.729   5.512   1.128
  256   HG11  VAL  28          1HG1      VAL  28  13.376   4.015  -0.137
  257   HG12  VAL  28          2HG1      VAL  28  13.485   5.311  -1.327
  258   HG13  VAL  28          3HG1      VAL  28  11.940   4.513  -1.031
  259   HG21  VAL  28          3HG2      VAL  28  14.293   5.173   1.524
  260   HG22  VAL  28          1HG2      VAL  28  13.482   6.512   2.333
  261   HG23  VAL  28          2HG2      VAL  28  14.438   6.809   0.882
  262    H    GLY  29           H        GLY  29   9.622   6.865   0.288
  263    HA2  GLY  29           2HA      GLY  29   8.997   6.522  -2.623
  264    HA3  GLY  29           1HA      GLY  29   8.207   5.569  -1.367
  265    HA   PRO  30           HA       PRO  30   5.941   9.660  -2.437
  266    HB2  PRO  30           2HB      PRO  30   3.638   8.338  -3.294
  267    HB3  PRO  30           1HB      PRO  30   4.880   9.027  -4.351
  268    HG2  PRO  30           2HG      PRO  30   4.449   6.218  -3.527
  269    HG3  PRO  30           1HG      PRO  30   5.059   6.874  -5.054
  270    HD2  PRO  30           2HD      PRO  30   6.697   5.732  -3.200
  271    HD3  PRO  30           1HD      PRO  30   7.235   7.047  -4.270
  272    H    ASN  31           H        ASN  31   4.215  10.497  -1.154
  273    HA   ASN  31           HA       ASN  31   3.663   8.923   1.278
  274    HB2  ASN  31           2HB      ASN  31   2.781  11.741   0.588
  275    HB3  ASN  31           1HB      ASN  31   2.828  11.005   2.188
  276   HD21  ASN  31          1HD2      ASN  31   5.344   9.796   2.240
  277   HD22  ASN  31          2HD2      ASN  31   6.556  10.969   2.049
  278    H    LEU  32           H        LEU  32   1.600   8.165   1.828
  279    HA   LEU  32           HA       LEU  32  -0.369   8.151  -0.383
  280    HB2  LEU  32           2HB      LEU  32  -0.328   6.651   2.253
  281    HB3  LEU  32           1HB      LEU  32  -1.535   6.442   0.987
  282    HG   LEU  32           HG       LEU  32   0.334   5.860  -0.600
  283   HD11  LEU  32          1HD1      LEU  32   2.344   6.612   0.228
  284   HD12  LEU  32          2HD1      LEU  32   2.385   4.980   0.896
  285   HD13  LEU  32          3HD1      LEU  32   1.880   6.333   1.905
  286   HD21  LEU  32          3HD2      LEU  32  -0.799   4.306   1.553
  287   HD22  LEU  32          1HD2      LEU  32   0.831   3.733   1.199
  288   HD23  LEU  32          2HD2      LEU  32  -0.381   3.789  -0.081
  289    H    HIS  33           H        HIS  33  -2.384   9.092  -0.241
  290    HA   HIS  33           HA       HIS  33  -3.628   9.980   2.175
  291    HB2  HIS  33           2HB      HIS  33  -3.341  12.431   1.888
  292    HB3  HIS  33           1HB      HIS  33  -1.801  11.636   2.210
  293    HD1  HIS  33           1HD      HIS  33  -0.313  11.096   0.004
  294    HD2  HIS  33           2HD      HIS  33  -3.401  13.854  -0.500
  295    HE1  HIS  33           1HE      HIS  33   0.175  12.333  -2.153
  296    HE2  HIS  33           2HE      HIS  33  -1.698  14.015  -2.470
  297    H    GLY  34           H        GLY  34  -5.344   8.949   0.985
  298    HA2  GLY  34           2HA      GLY  34  -7.430   9.438  -0.116
  299    HA3  GLY  34           1HA      GLY  34  -6.649  10.788  -0.942
  300    H    ILE  35           H        ILE  35  -4.565   8.207  -1.035
  301    HA   ILE  35           HA       ILE  35  -4.672   7.860  -3.838
  302    HB   ILE  35           HB       ILE  35  -2.809   7.146  -2.246
  303   HG12  ILE  35          2HG1      ILE  35  -3.663   4.933  -4.122
  304   HG13  ILE  35          1HG1      ILE  35  -3.082   6.487  -4.723
  305   HG21  ILE  35          1HG2      ILE  35  -2.969   5.132  -1.061
  306   HG22  ILE  35          2HG2      ILE  35  -4.304   4.543  -2.055
  307   HG23  ILE  35          3HG2      ILE  35  -4.586   5.811  -0.861
  308   HD11  ILE  35          3HD1      ILE  35  -1.420   4.433  -4.243
  309   HD12  ILE  35          1HD1      ILE  35  -1.437   5.147  -2.631
  310   HD13  ILE  35          2HD1      ILE  35  -0.926   6.111  -4.016
  311    H    PHE  36           H        PHE  36  -6.675   6.522  -1.345
  312    HA   PHE  36           HA       PHE  36  -7.588   4.188  -2.745
  313    HB2  PHE  36           2HB      PHE  36  -8.823   5.901  -0.579
  314    HB3  PHE  36           1HB      PHE  36  -9.579   4.430  -1.185
  315    HD1  PHE  36           1HD      PHE  36  -6.698   5.810   0.674
  316    HD2  PHE  36           2HD      PHE  36  -8.633   2.242  -0.742
  317    HE1  PHE  36           1HE      PHE  36  -5.266   4.437   2.167
  318    HE2  PHE  36           2HE      PHE  36  -7.201   0.876   0.745
  319    HZ   PHE  36           HZ       PHE  36  -5.519   1.970   2.200
  320    H    GLY  37           H        GLY  37  -9.061   4.015  -4.382
  321    HA2  GLY  37           2HA      GLY  37 -10.756   4.623  -5.897
  322    HA3  GLY  37           1HA      GLY  37 -11.144   5.977  -4.836
  323    H    ARG  38           H        ARG  38  -7.866   5.581  -5.951
  324    HA   ARG  38           HA       ARG  38  -8.299   7.723  -7.979
  325    HB2  ARG  38           2HB      ARG  38  -6.121   7.653  -5.874
  326    HB3  ARG  38           1HB      ARG  38  -6.194   8.805  -7.208
  327    HG2  ARG  38           2HG      ARG  38  -8.466   9.507  -6.381
  328    HG3  ARG  38           1HG      ARG  38  -8.206   8.485  -4.965
  329    HD2  ARG  38           2HD      ARG  38  -6.036   9.779  -4.593
  330    HD3  ARG  38           1HD      ARG  38  -6.617  10.915  -5.809
  331    HE   ARG  38           HE       ARG  38  -7.586  10.717  -3.081
  332   HH11  ARG  38          1HH2      ARG  38  -8.389  11.417  -6.361
  333   HH12  ARG  38          2HH2      ARG  38  -9.698  12.478  -5.953
  334   HH21  ARG  38          1HH1      ARG  38  -9.289  12.095  -2.530
  335   HH22  ARG  38          2HH1      ARG  38 -10.207  12.862  -3.783
  336    H    HIS  39           H        HIS  39  -6.557   7.833  -9.590
  337    HA   HIS  39           HA       HIS  39  -5.503   5.138 -10.177
  338    HB2  HIS  39           2HB      HIS  39  -5.536   7.705 -11.793
  339    HB3  HIS  39           1HB      HIS  39  -4.878   6.173 -12.372
  340    HD1  HIS  39           1HD      HIS  39  -8.102   7.922 -11.624
  341    HD2  HIS  39           2HD      HIS  39  -6.848   4.156 -12.904
  342    HE1  HIS  39           1HE      HIS  39 -10.174   6.718 -12.451
  343    HE2  HIS  39           2HE      HIS  39  -9.422   4.425 -13.230
  344    H    SER  40           H        SER  40  -3.273   4.719 -10.443
  345    HA   SER  40           HA       SER  40  -1.493   6.124  -8.705
  346    HB2  SER  40           2HB      SER  40  -1.350   3.704  -9.691
  347    HB3  SER  40           1HB      SER  40  -0.510   4.485 -11.028
  348    HG   SER  40           HG       SER  40   0.701   3.698  -9.031
  349    H    GLY  41           H        GLY  41   0.395   7.398  -9.295
  350    HA2  GLY  41           2HA      GLY  41   1.692   8.672 -10.907
  351    HA3  GLY  41           1HA      GLY  41   0.315   8.611 -12.005
  352    H    GLN  42           H        GLN  42  -1.312   9.236  -9.374
  353    HA   GLN  42           HA       GLN  42  -1.677  12.016  -9.912
  354    HB2  GLN  42           2HB      GLN  42  -3.342  10.512  -8.765
  355    HB3  GLN  42           1HB      GLN  42  -2.330  10.583  -7.323
  356    HG2  GLN  42           2HG      GLN  42  -2.533  13.068  -7.342
  357    HG3  GLN  42           1HG      GLN  42  -3.629  12.942  -8.717
  358   HE21  GLN  42          1HE2      GLN  42  -5.764  13.103  -8.047
  359   HE22  GLN  42          2HE2      GLN  42  -6.386  12.475  -6.599
  360    H    ALA  43           H        ALA  43   0.333  10.319  -7.536
  361    HA   ALA  43           HA       ALA  43   1.093  12.637  -6.033
  362    HB1  ALA  43           1HB      ALA  43   2.867  10.241  -6.483
  363    HB2  ALA  43           2HB      ALA  43   1.452  10.165  -5.435
  364    HB3  ALA  43           3HB      ALA  43   2.768  11.275  -5.059
  365    H    GLU  44           H        GLU  44   1.313  14.007  -8.079
  366    HA   GLU  44           HA       GLU  44   3.503  13.704  -9.874
  367    HB2  GLU  44           2HB      GLU  44   2.125  16.225  -8.895
  368    HB3  GLU  44           1HB      GLU  44   3.234  16.158 -10.266
  369    HG2  GLU  44           2HG      GLU  44   1.744  14.501 -11.365
  370    HG3  GLU  44           1HG      GLU  44   0.617  14.646 -10.015
  371    H    GLY  45           H        GLY  45   3.299  15.033  -6.624
  372    HA2  GLY  45           2HA      GLY  45   5.708  16.483  -6.501
  373    HA3  GLY  45           1HA      GLY  45   5.006  15.625  -5.127
  374    H    TYR  46           H        TYR  46   5.175  12.994  -6.431
  375    HA   TYR  46           HA       TYR  46   8.150  12.635  -6.388
  376    HB2  TYR  46           2HB      TYR  46   6.943  11.789  -4.334
  377    HB3  TYR  46           1HB      TYR  46   6.099  10.648  -5.382
  378    HD1  TYR  46           1HD      TYR  46   9.475  11.727  -4.239
  379    HD2  TYR  46           2HD      TYR  46   7.152   8.649  -6.129
  380    HE1  TYR  46           1HE      TYR  46  11.423  10.198  -4.139
  381    HE2  TYR  46           2HE      TYR  46   9.104   7.121  -6.035
  382    HH   TYR  46           HH       TYR  46  11.217   6.934  -4.518
  383    H    SER  47           H        SER  47   9.009  11.264  -7.949
  384    HA   SER  47           HA       SER  47   7.383  10.768 -10.301
  385    HB2  SER  47           2HB      SER  47   9.830  11.312 -10.366
  386    HB3  SER  47           1HB      SER  47  10.160   9.728  -9.670
  387    HG   SER  47           HG       SER  47  10.187   9.962 -12.063
  388    H    TYR  48           H        TYR  48   7.054   8.630 -11.270
  389    HA   TYR  48           HA       TYR  48   6.635   6.532  -9.187
  390    HB2  TYR  48           2HB      TYR  48   5.299   7.102 -11.835
  391    HB3  TYR  48           1HB      TYR  48   5.125   5.544 -11.029
  392    HD1  TYR  48           2HD      TYR  48   4.928   9.210 -10.224
  393    HD2  TYR  48           1HD      TYR  48   3.357   5.269  -9.552
  394    HE1  TYR  48           2HE      TYR  48   3.176  10.155  -8.745
  395    HE2  TYR  48           1HE      TYR  48   1.611   6.217  -8.072
  396    HH   TYR  48           HH       TYR  48   0.941   8.051  -6.968
  397    H    THR  49           H        THR  49   7.300   4.366  -9.642
  398    HA   THR  49           HA       THR  49   9.765   4.114 -11.073
  399    HB   THR  49           HB       THR  49   8.745   2.627  -9.173
  400    HG1  THR  49           1HG      THR  49   9.847   0.762 -10.511
  401   HG21  THR  49          3HG2      THR  49   6.742   2.090 -10.688
  402   HG22  THR  49          1HG2      THR  49   7.504   0.726  -9.866
  403   HG23  THR  49          2HG2      THR  49   7.844   1.031 -11.569
  404    H    ASP  50           H        ASP  50  10.160   2.883 -13.037
  405    HA   ASP  50           HA       ASP  50   8.515   3.568 -15.217
  406    HB2  ASP  50           2HB      ASP  50  10.505   1.318 -14.917
  407    HB3  ASP  50           1HB      ASP  50   9.781   1.781 -16.455
  408    H    ALA  51           H        ALA  51   8.447   0.650 -13.201
  409    HA   ALA  51           HA       ALA  51   6.729  -0.911 -14.833
  410    HB1  ALA  51           1HB      ALA  51   7.951  -1.627 -12.705
  411    HB2  ALA  51           2HB      ALA  51   6.305  -2.231 -12.896
  412    HB3  ALA  51           3HB      ALA  51   6.626  -0.879 -11.814
  413    H    ASN  52           H        ASN  52   5.765   1.112 -12.015
  414    HA   ASN  52           HA       ASN  52   2.972   0.858 -12.454
  415    HB2  ASN  52           2HB      ASN  52   4.090   1.851 -10.409
  416    HB3  ASN  52           1HB      ASN  52   4.339   3.324 -11.347
  417   HD21  ASN  52          1HD2      ASN  52   1.782   1.183 -10.026
  418   HD22  ASN  52          2HD2      ASN  52   0.552   2.351 -10.096
  419    H    ILE  53           H        ILE  53   5.291   3.223 -13.770
  420    HA   ILE  53           HA       ILE  53   3.370   4.840 -15.119
  421    HB   ILE  53           HB       ILE  53   6.257   4.246 -15.834
  422   HG12  ILE  53          2HG1      ILE  53   5.064   6.586 -14.318
  423   HG13  ILE  53          1HG1      ILE  53   5.806   5.192 -13.535
  424   HG21  ILE  53          1HG2      ILE  53   4.224   6.212 -16.836
  425   HG22  ILE  53          2HG2      ILE  53   5.382   5.247 -17.751
  426   HG23  ILE  53          3HG2      ILE  53   5.932   6.646 -16.828
  427   HD11  ILE  53          3HD1      ILE  53   7.944   5.707 -14.355
  428   HD12  ILE  53          1HD1      ILE  53   7.276   7.299 -13.994
  429   HD13  ILE  53          2HD1      ILE  53   7.304   6.711 -15.657
  430    H    LYS  54           H        LYS  54   5.201   1.964 -16.161
  431    HA   LYS  54           HA       LYS  54   4.273   1.902 -18.853
  432    HB2  LYS  54           2HB      LYS  54   6.120   0.480 -17.936
  433    HB3  LYS  54           1HB      LYS  54   4.907  -0.470 -17.075
  434    HG2  LYS  54           2HG      LYS  54   3.841  -1.086 -19.189
  435    HG3  LYS  54           1HG      LYS  54   4.968  -0.065 -20.078
  436    HD2  LYS  54           2HD      LYS  54   5.802  -2.312 -20.246
  437    HD3  LYS  54           1HD      LYS  54   6.849  -1.461 -19.112
  438    HE2  LYS  54           2HE      LYS  54   6.065  -3.806 -18.418
  439    HE3  LYS  54           1HE      LYS  54   5.853  -2.522 -17.230
  440    HZ1  LYS  54           3HZ      LYS  54   3.903  -4.137 -17.852
  441    HZ2  LYS  54           1HZ      LYS  54   3.678  -3.037 -19.124
  442    HZ3  LYS  54           2HZ      LYS  54   3.608  -2.497 -17.514
  443    H    LYS  55           H        LYS  55   2.913   0.548 -15.871
  444    HA   LYS  55           HA       LYS  55   0.337   0.149 -17.335
  445    HB2  LYS  55           2HB      LYS  55   1.467  -2.026 -16.845
  446    HB3  LYS  55           1HB      LYS  55   1.467  -1.611 -15.133
  447    HG2  LYS  55           2HG      LYS  55  -0.451  -2.960 -15.363
  448    HG3  LYS  55           1HG      LYS  55  -1.103  -1.324 -15.424
  449    HD2  LYS  55           2HD      LYS  55  -1.227  -1.393 -17.843
  450    HD3  LYS  55           1HD      LYS  55  -0.374  -2.937 -17.885
  451    HE2  LYS  55           2HE      LYS  55  -2.635  -3.164 -16.127
  452    HE3  LYS  55           1HE      LYS  55  -3.173  -2.505 -17.672
  453    HZ1  LYS  55           3HZ      LYS  55  -1.966  -5.099 -17.075
  454    HZ2  LYS  55           1HZ      LYS  55  -1.591  -4.387 -18.568
  455    HZ3  LYS  55           2HZ      LYS  55  -3.210  -4.705 -18.162
  456    H    ASN  56           H        ASN  56  -1.277   1.338 -16.421
  457    HA   ASN  56           HA       ASN  56  -0.809   2.443 -13.702
  458    HB2  ASN  56           2HB      ASN  56  -1.495   3.877 -15.759
  459    HB3  ASN  56           1HB      ASN  56  -3.104   3.199 -15.503
  460   HD21  ASN  56          1HD2      ASN  56  -1.798   3.195 -12.478
  461   HD22  ASN  56          2HD2      ASN  56  -2.294   4.724 -11.934
  462    H    VAL  57           H        VAL  57  -2.198   1.983 -11.998
  463    HA   VAL  57           HA       VAL  57  -4.447   0.097 -12.568
  464    HB   VAL  57           HB       VAL  57  -2.455  -1.103 -11.665
  465   HG11  VAL  57          1HG1      VAL  57  -1.386  -0.454  -9.739
  466   HG12  VAL  57          2HG1      VAL  57  -2.867   0.159  -9.002
  467   HG13  VAL  57          3HG1      VAL  57  -2.014   1.125 -10.205
  468   HG21  VAL  57          3HG2      VAL  57  -4.150  -1.342  -9.330
  469   HG22  VAL  57          1HG2      VAL  57  -3.933  -2.479 -10.660
  470   HG23  VAL  57          2HG2      VAL  57  -5.135  -1.194 -10.785
  471    H    LEU  58           H        LEU  58  -6.246   0.293 -11.165
  472    HA   LEU  58           HA       LEU  58  -6.520   2.929  -9.901
  473    HB2  LEU  58           2HB      LEU  58  -8.403   1.953 -11.178
  474    HB3  LEU  58           1HB      LEU  58  -8.454   0.592 -10.058
  475    HG   LEU  58           HG       LEU  58  -8.894   2.196  -8.190
  476   HD11  LEU  58          1HD1      LEU  58  -8.418   4.099 -10.388
  477   HD12  LEU  58          2HD1      LEU  58  -8.269   4.329  -8.647
  478   HD13  LEU  58          3HD1      LEU  58  -9.848   4.456  -9.420
  479   HD21  LEU  58          3HD2      LEU  58 -11.227   2.752  -8.909
  480   HD22  LEU  58          1HD2      LEU  58 -10.778   1.080  -9.247
  481   HD23  LEU  58          2HD2      LEU  58 -10.796   2.268 -10.549
  482    H    TRP  59           H        TRP  59  -6.276   3.305  -7.737
  483    HA   TRP  59           HA       TRP  59  -5.670   0.955  -6.035
  484    HB2  TRP  59           2HB      TRP  59  -5.129   3.911  -5.726
  485    HB3  TRP  59           1HB      TRP  59  -4.829   2.741  -4.437
  486    HD1  TRP  59           HD       TRP  59  -3.404   4.053  -7.637
  487    HE1  TRP  59           1HE      TRP  59  -1.238   2.775  -8.217
  488    HE3  TRP  59           3HE      TRP  59  -3.668   0.287  -4.216
  489    HZ2  TRP  59           2HZ      TRP  59   0.188   0.453  -7.341
  490    HZ3  TRP  59           3HZ      TRP  59  -1.899  -1.436  -4.103
  491    HH2  TRP  59           HH       TRP  59   0.032  -1.358  -5.662
  492    H    ASP  60           H        ASP  60  -7.094   0.236  -4.632
  493    HA   ASP  60           HA       ASP  60  -8.880   2.001  -3.146
  494    HB2  ASP  60           2HB      ASP  60 -10.962   0.918  -3.863
  495    HB3  ASP  60           1HB      ASP  60 -10.154   1.630  -5.260
  496    H    GLU  61           H        GLU  61 -10.535   0.102  -1.993
  497    HA   GLU  61           HA       GLU  61  -8.751  -1.247  -0.220
  498    HB2  GLU  61           2HB      GLU  61 -11.681  -1.770  -0.796
  499    HB3  GLU  61           1HB      GLU  61 -10.793  -2.440   0.572
  500    HG2  GLU  61           2HG      GLU  61 -10.263  -0.134   1.331
  501    HG3  GLU  61           1HG      GLU  61 -11.223   0.506  -0.003
  502    H    ASN  62           H        ASN  62 -10.605  -2.479  -3.014
  503    HA   ASN  62           HA       ASN  62  -9.770  -5.215  -2.684
  504    HB2  ASN  62           2HB      ASN  62 -11.732  -4.557  -4.035
  505    HB3  ASN  62           1HB      ASN  62 -10.663  -3.767  -5.193
  506   HD21  ASN  62          1HD2      ASN  62  -9.598  -5.080  -6.740
  507   HD22  ASN  62          2HD2      ASN  62  -9.768  -6.769  -6.811
  508    H    ASN  63           H        ASN  63  -8.672  -2.721  -4.986
  509    HA   ASN  63           HA       ASN  63  -6.599  -4.208  -6.175
  510    HB2  ASN  63           2HB      ASN  63  -7.495  -1.993  -6.951
  511    HB3  ASN  63           1HB      ASN  63  -6.561  -1.227  -5.664
  512   HD21  ASN  63          1HD2      ASN  63  -4.506  -0.574  -6.286
  513   HD22  ASN  63          2HD2      ASN  63  -3.614  -1.242  -7.566
  514    H    MET  64           H        MET  64  -6.526  -2.237  -3.215
  515    HA   MET  64           HA       MET  64  -3.719  -2.284  -2.806
  516    HB2  MET  64           2HB      MET  64  -5.994  -2.296  -0.804
  517    HB3  MET  64           1HB      MET  64  -4.304  -2.054  -0.362
  518    HG2  MET  64           2HG      MET  64  -5.347  -0.365  -2.575
  519    HG3  MET  64           1HG      MET  64  -5.954  -0.006  -0.960
  520    HE1  MET  64           3HE      MET  64  -3.461   2.436  -2.352
  521    HE2  MET  64           1HE      MET  64  -4.100   2.690  -0.721
  522    HE3  MET  64           2HE      MET  64  -5.129   2.011  -1.980
  523    H    SER  65           H        SER  65  -6.216  -4.650  -1.886
  524    HA   SER  65           HA       SER  65  -4.420  -6.416  -0.498
  525    HB2  SER  65           2HB      SER  65  -6.198  -8.056  -0.658
  526    HB3  SER  65           1HB      SER  65  -6.928  -6.484  -0.344
  527    HG   SER  65           HG       SER  65  -7.470  -6.329  -2.495
  528    H    GLU  66           H        GLU  66  -5.307  -6.048  -3.890
  529    HA   GLU  66           HA       GLU  66  -4.149  -8.510  -4.814
  530    HB2  GLU  66           2HB      GLU  66  -5.742  -7.107  -6.134
  531    HB3  GLU  66           1HB      GLU  66  -4.464  -5.909  -6.337
  532    HG2  GLU  66           2HG      GLU  66  -3.040  -7.657  -7.402
  533    HG3  GLU  66           1HG      GLU  66  -4.386  -8.790  -7.278
  534    H    HIS  67           H        HIS  67  -2.817  -5.251  -4.342
  535    HA   HIS  67           HA       HIS  67  -0.329  -5.650  -5.646
  536    HB2  HIS  67           2HB      HIS  67  -1.202  -3.467  -4.780
  537    HB3  HIS  67           1HB      HIS  67  -0.828  -4.009  -3.146
  538    HD1  HIS  67           1HD      HIS  67   1.076  -3.861  -6.459
  539    HD2  HIS  67           2HD      HIS  67   1.660  -3.077  -2.409
  540    HE1  HIS  67           1HE      HIS  67   3.452  -3.009  -6.233
  541    HE2  HIS  67           2HE      HIS  67   3.819  -2.535  -3.768
  542    H    LEU  68           H        LEU  68  -1.202  -6.163  -2.228
  543    HA   LEU  68           HA       LEU  68   1.382  -7.291  -1.558
  544    HB2  LEU  68           2HB      LEU  68  -1.301  -7.226  -0.168
  545    HB3  LEU  68           1HB      LEU  68   0.085  -8.071   0.515
  546    HG   LEU  68           HG       LEU  68   1.407  -5.988   0.429
  547   HD11  LEU  68          1HD1      LEU  68  -1.131  -4.958  -0.825
  548   HD12  LEU  68          2HD1      LEU  68   0.529  -4.773  -1.387
  549   HD13  LEU  68          3HD1      LEU  68  -0.034  -3.865   0.015
  550   HD21  LEU  68          3HD2      LEU  68  -0.772  -6.557   2.137
  551   HD22  LEU  68          1HD2      LEU  68  -0.862  -4.829   1.792
  552   HD23  LEU  68          2HD2      LEU  68   0.609  -5.514   2.480
  553    H    THR  69           H        THR  69  -1.610  -8.581  -2.837
  554    HA   THR  69           HA       THR  69  -0.793 -11.356  -2.266
  555    HB   THR  69           HB       THR  69  -3.105 -10.380  -3.966
  556    HG1  THR  69           1HG      THR  69  -4.112 -11.082  -1.783
  557   HG21  THR  69          3HG2      THR  69  -2.190 -12.850  -3.949
  558   HG22  THR  69          1HG2      THR  69  -3.925 -12.555  -3.849
  559   HG23  THR  69          2HG2      THR  69  -3.009 -12.928  -2.390
  560    H    ASN  70           H        ASN  70   0.346 -12.595  -3.669
  561    HA   ASN  70           HA       ASN  70   1.749 -13.005  -5.532
  562    HB2  ASN  70           2HB      ASN  70  -1.018 -12.558  -6.667
  563    HB3  ASN  70           1HB      ASN  70   0.327 -13.139  -7.650
  564   HD21  ASN  70          1HD2      ASN  70   0.482 -14.123  -4.342
  565   HD22  ASN  70          2HD2      ASN  70  -0.074 -15.712  -4.562
  566    HA   PRO  71           HA       PRO  71   1.963  -8.331  -6.503
  567    HB2  PRO  71           2HB      PRO  71   4.614  -8.191  -5.617
  568    HB3  PRO  71           1HB      PRO  71   3.190  -7.661  -4.708
  569    HG2  PRO  71           2HG      PRO  71   4.758 -10.163  -4.478
  570    HG3  PRO  71           1HG      PRO  71   3.907  -9.238  -3.231
  571    HD2  PRO  71           2HD      PRO  71   2.921 -11.562  -4.226
  572    HD3  PRO  71           1HD      PRO  71   1.867 -10.236  -3.681
  573    H    ALA  72           H        ALA  72   3.797 -11.200  -7.200
  574    HA   ALA  72           HA       ALA  72   5.714 -10.150  -9.018
  575    HB1  ALA  72           1HB      ALA  72   6.071 -12.386  -8.427
  576    HB2  ALA  72           2HB      ALA  72   5.455 -12.528 -10.074
  577    HB3  ALA  72           3HB      ALA  72   4.386 -12.830  -8.704
  578    H    LYS  73           H        LYS  73   2.339 -11.163  -9.572
  579    HA   LYS  73           HA       LYS  73   2.601 -10.462 -12.428
  580    HB2  LYS  73           2HB      LYS  73   0.267 -11.543 -10.827
  581    HB3  LYS  73           1HB      LYS  73   0.230 -11.237 -12.564
  582    HG2  LYS  73           2HG      LYS  73   2.171 -12.791 -12.831
  583    HG3  LYS  73           1HG      LYS  73   2.063 -13.166 -11.112
  584    HD2  LYS  73           2HD      LYS  73  -0.290 -13.914 -11.456
  585    HD3  LYS  73           1HD      LYS  73  -0.100 -13.629 -13.187
  586    HE2  LYS  73           2HE      LYS  73   1.624 -15.306 -13.349
  587    HE3  LYS  73           1HE      LYS  73   1.697 -15.476 -11.596
  588    HZ1  LYS  73           3HZ      LYS  73  -0.942 -15.851 -12.644
  589    HZ2  LYS  73           1HZ      LYS  73  -0.045 -16.836 -11.593
  590    HZ3  LYS  73           2HZ      LYS  73   0.170 -16.969 -13.273
  591    H    TYR  74           H        TYR  74   2.237  -8.666  -9.742
  592    HA   TYR  74           HA       TYR  74   0.291  -6.791 -11.042
  593    HB2  TYR  74           2HB      TYR  74  -0.442  -7.688  -8.845
  594    HB3  TYR  74           1HB      TYR  74   1.025  -7.043  -8.115
  595    HD1  TYR  74           1HD      TYR  74   1.401  -4.588  -7.995
  596    HD2  TYR  74           2HD      TYR  74  -2.291  -6.253  -9.427
  597    HE1  TYR  74           1HE      TYR  74   0.289  -2.404  -7.663
  598    HE2  TYR  74           2HE      TYR  74  -3.403  -4.061  -9.097
  599    HH   TYR  74           HH       TYR  74  -1.730  -1.380  -7.525
  600    H    ILE  75           H        ILE  75   1.285  -5.040 -11.894
  601    HA   ILE  75           HA       ILE  75   3.033  -3.503 -12.340
  602    HB   ILE  75           HB       ILE  75   2.742  -3.243  -9.331
  603   HG12  ILE  75          2HG1      ILE  75   0.567  -3.141 -10.424
  604   HG13  ILE  75          1HG1      ILE  75   1.035  -1.517  -9.926
  605   HG21  ILE  75          1HG2      ILE  75   3.911  -1.298  -9.448
  606   HG22  ILE  75          2HG2      ILE  75   3.212  -0.859 -11.002
  607   HG23  ILE  75          3HG2      ILE  75   4.572  -1.976 -10.935
  608   HD11  ILE  75          3HD1      ILE  75   0.920  -2.699 -12.684
  609   HD12  ILE  75          1HD1      ILE  75   2.051  -1.388 -12.359
  610   HD13  ILE  75          2HD1      ILE  75   0.322  -1.142 -12.116
  611    HA   PRO  76           HA       PRO  76   6.312  -6.446 -10.644
  612    HB2  PRO  76           2HB      PRO  76   7.099  -7.432 -13.082
  613    HB3  PRO  76           1HB      PRO  76   5.854  -8.187 -12.071
  614    HG2  PRO  76           2HG      PRO  76   5.556  -6.459 -14.467
  615    HG3  PRO  76           1HG      PRO  76   4.596  -7.853 -13.950
  616    HD2  PRO  76           2HD      PRO  76   3.775  -5.252 -13.622
  617    HD3  PRO  76           1HD      PRO  76   3.251  -6.585 -12.571
  618    H    GLY  77           H        GLY  77   8.549  -5.961 -10.694
  619    HA2  GLY  77           2HA      GLY  77  10.528  -4.985 -11.693
  620    HA3  GLY  77           1HA      GLY  77   9.483  -4.015 -12.728
  621    H    THR  78           H        THR  78   8.173  -3.918  -9.668
  622    HA   THR  78           HA       THR  78   9.034  -1.163  -9.285
  623    HB   THR  78           HB       THR  78   7.614  -1.189  -7.309
  624    HG1  THR  78           1HG      THR  78   7.976  -3.089  -6.352
  625   HG21  THR  78          3HG2      THR  78   5.580  -2.519  -8.496
  626   HG22  THR  78          1HG2      THR  78   6.673  -2.350  -9.868
  627   HG23  THR  78          2HG2      THR  78   6.115  -0.917  -9.004
  628    H    LYS  79           H        LYS  79  10.023  -0.442  -7.189
  629    HA   LYS  79           HA       LYS  79  12.355  -2.126  -6.586
  630    HB2  LYS  79           2HB      LYS  79  11.533   0.593  -5.520
  631    HB3  LYS  79           1HB      LYS  79  13.099  -0.178  -5.266
  632    HG2  LYS  79           2HG      LYS  79  13.426  -0.242  -7.742
  633    HG3  LYS  79           1HG      LYS  79  11.917   0.652  -7.932
  634    HD2  LYS  79           2HD      LYS  79  14.304   1.624  -6.333
  635    HD3  LYS  79           1HD      LYS  79  13.918   2.142  -7.975
  636    HE2  LYS  79           2HE      LYS  79  12.740   3.791  -6.937
  637    HE3  LYS  79           1HE      LYS  79  11.520   2.539  -6.715
  638    HZ1  LYS  79           3HZ      LYS  79  11.767   3.003  -4.558
  639    HZ2  LYS  79           1HZ      LYS  79  13.261   3.775  -4.780
  640    HZ3  LYS  79           2HZ      LYS  79  13.192   2.082  -4.659
  641    H    MET  80           H        MET  80   9.290  -2.280  -5.502
  642    HA   MET  80           HA       MET  80   9.871  -2.396  -2.619
  643    HB2  MET  80           2HB      MET  80   7.359  -3.039  -4.191
  644    HB3  MET  80           1HB      MET  80   7.474  -3.053  -2.430
  645    HG2  MET  80           2HG      MET  80   8.306  -0.654  -2.588
  646    HG3  MET  80           1HG      MET  80   7.828  -0.691  -4.284
  647    HE1  MET  80           3HE      MET  80   5.608  -0.270  -5.156
  648    HE2  MET  80           1HE      MET  80   4.111  -0.823  -4.393
  649    HE3  MET  80           2HE      MET  80   5.373  -1.981  -4.808
  650    H    ALA  81           H        ALA  81  10.518  -4.199  -1.586
  651    HA   ALA  81           HA       ALA  81  10.329  -6.799  -3.042
  652    HB1  ALA  81           1HB      ALA  81  11.940  -6.995  -0.687
  653    HB2  ALA  81           2HB      ALA  81  12.429  -5.542  -1.560
  654    HB3  ALA  81           3HB      ALA  81  12.456  -7.109  -2.368
  655    H    PHE  82           H        PHE  82   8.550  -5.119  -0.950
  656    HA   PHE  82           HA       PHE  82   8.019  -7.387   0.906
  657    HB2  PHE  82           2HB      PHE  82   8.377  -5.211   1.979
  658    HB3  PHE  82           1HB      PHE  82   7.092  -4.502   0.999
  659    HD1  PHE  82           2HD      PHE  82   4.747  -5.070   1.379
  660    HD2  PHE  82           1HD      PHE  82   7.862  -6.761   3.802
  661    HE1  PHE  82           2HE      PHE  82   3.053  -5.833   3.019
  662    HE2  PHE  82           1HE      PHE  82   6.166  -7.527   5.444
  663    HZ   PHE  82           HZ       PHE  82   3.764  -7.061   5.054
  664    H    GLY  83           H        GLY  83   6.130  -8.527   0.757
  665    HA2  GLY  83           2HA      GLY  83   3.598  -7.898   0.131
  666    HA3  GLY  83           1HA      GLY  83   4.319  -7.858  -1.478
  667    H    GLY  84           H        GLY  84   2.538  -9.687  -1.538
  668    HA2  GLY  84           2HA      GLY  84   2.299 -11.980  -2.053
  669    HA3  GLY  84           1HA      GLY  84   3.984 -12.216  -1.585
  670    H    LEU  85           H        LEU  85   1.478 -10.757   0.456
  671    HA   LEU  85           HA       LEU  85   2.121 -12.677   2.579
  672    HB2  LEU  85           2HB      LEU  85  -0.007 -10.513   2.510
  673    HB3  LEU  85           1HB      LEU  85   0.553 -11.377   3.941
  674    HG   LEU  85           HG       LEU  85   2.208  -9.530   2.195
  675   HD11  LEU  85          1HD1      LEU  85   2.252  -8.765   4.901
  676   HD12  LEU  85          2HD1      LEU  85   0.568  -9.168   4.564
  677   HD13  LEU  85          3HD1      LEU  85   1.396  -7.953   3.589
  678   HD21  LEU  85          3HD2      LEU  85   2.897 -11.440   4.416
  679   HD22  LEU  85          1HD2      LEU  85   3.822  -9.950   4.231
  680   HD23  LEU  85          2HD2      LEU  85   3.768 -11.123   2.915
  681    H    LYS  86           H        LYS  86   0.747 -14.302   3.340
  682    HA   LYS  86           HA       LYS  86  -1.193 -15.361   1.453
  683    HB2  LYS  86           2HB      LYS  86   0.226 -16.768   2.999
  684    HB3  LYS  86           1HB      LYS  86  -0.757 -16.178   4.341
  685    HG2  LYS  86           2HG      LYS  86  -2.771 -17.119   3.331
  686    HG3  LYS  86           1HG      LYS  86  -1.858 -17.615   1.909
  687    HD2  LYS  86           2HD      LYS  86  -2.110 -19.555   3.329
  688    HD3  LYS  86           1HD      LYS  86  -0.426 -19.043   3.407
  689    HE2  LYS  86           2HE      LYS  86  -1.584 -19.609   5.639
  690    HE3  LYS  86           1HE      LYS  86  -0.697 -18.089   5.562
  691    HZ1  LYS  86           3HZ      LYS  86  -2.576 -16.881   5.675
  692    HZ2  LYS  86           1HZ      LYS  86  -3.206 -18.279   6.401
  693    HZ3  LYS  86           2HZ      LYS  86  -3.484 -17.982   4.753
  694    H    LYS  87           H        LYS  87  -3.486 -15.366   1.693
  695    HA   LYS  87           HA       LYS  87  -4.768 -13.109   2.654
  696    HB2  LYS  87           2HB      LYS  87  -5.845 -15.943   2.655
  697    HB3  LYS  87           1HB      LYS  87  -6.835 -14.496   2.842
  698    HG2  LYS  87           2HG      LYS  87  -5.941 -13.678   0.641
  699    HG3  LYS  87           1HG      LYS  87  -5.137 -15.237   0.444
  700    HD2  LYS  87           2HD      LYS  87  -7.355 -16.360   0.685
  701    HD3  LYS  87           1HD      LYS  87  -8.116 -14.771   0.739
  702    HE2  LYS  87           2HE      LYS  87  -8.154 -14.746  -1.512
  703    HE3  LYS  87           1HE      LYS  87  -6.390 -14.768  -1.513
  704    HZ1  LYS  87           3HZ      LYS  87  -8.265 -16.915  -1.999
  705    HZ2  LYS  87           1HZ      LYS  87  -6.967 -17.330  -0.989
  706    HZ3  LYS  87           2HZ      LYS  87  -6.670 -16.718  -2.547
  707    H    GLU  88           H        GLU  88  -5.213 -12.293   4.645
  708    HA   GLU  88           HA       GLU  88  -5.678 -13.915   6.979
  709    HB2  GLU  88           2HB      GLU  88  -3.190 -14.201   6.681
  710    HB3  GLU  88           1HB      GLU  88  -3.017 -12.462   6.915
  711    HG2  GLU  88           2HG      GLU  88  -4.102 -12.672   9.139
  712    HG3  GLU  88           1HG      GLU  88  -4.205 -14.417   8.908
  713    H    LYS  89           H        LYS  89  -6.084 -12.547   8.889
  714    HA   LYS  89           HA       LYS  89  -7.474 -10.156   8.311
  715    HB2  LYS  89           2HB      LYS  89  -6.164 -11.033  10.904
  716    HB3  LYS  89           1HB      LYS  89  -7.328  -9.715  10.764
  717    HG2  LYS  89           2HG      LYS  89  -8.976 -11.328   9.802
  718    HG3  LYS  89           1HG      LYS  89  -7.822 -12.631  10.090
  719    HD2  LYS  89           2HD      LYS  89  -7.807 -12.027  12.515
  720    HD3  LYS  89           1HD      LYS  89  -9.060 -10.829  12.191
  721    HE2  LYS  89           2HE      LYS  89 -10.636 -12.426  12.333
  722    HE3  LYS  89           1HE      LYS  89  -9.873 -13.302  11.007
  723    HZ1  LYS  89           3HZ      LYS  89  -8.328 -13.663  13.312
  724    HZ2  LYS  89           1HZ      LYS  89  -9.202 -14.827  12.441
  725    HZ3  LYS  89           2HZ      LYS  89  -9.946 -13.986  13.717
  726    H    ASP  90           H        ASP  90  -4.068 -10.699   9.066
  727    HA   ASP  90           HA       ASP  90  -3.281  -8.053   9.656
  728    HB2  ASP  90           2HB      ASP  90  -1.812 -10.248   8.161
  729    HB3  ASP  90           1HB      ASP  90  -1.056  -8.753   8.708
  730    H    ARG  91           H        ARG  91  -3.729  -9.660   6.507
  731    HA   ARG  91           HA       ARG  91  -2.785  -7.507   4.891
  732    HB2  ARG  91           2HB      ARG  91  -3.277  -9.814   4.051
  733    HB3  ARG  91           1HB      ARG  91  -4.998  -9.476   4.230
  734    HG2  ARG  91           2HG      ARG  91  -4.716  -7.511   2.699
  735    HG3  ARG  91           1HG      ARG  91  -3.045  -8.012   2.433
  736    HD2  ARG  91           2HD      ARG  91  -5.509  -9.678   1.835
  737    HD3  ARG  91           1HD      ARG  91  -4.493  -8.872   0.639
  738    HE   ARG  91           HE       ARG  91  -2.787 -10.527   2.154
  739   HH11  ARG  91          1HH2      ARG  91  -5.541 -10.757   0.093
  740   HH12  ARG  91          2HH2      ARG  91  -5.137 -12.338  -0.490
  741   HH21  ARG  91          1HH1      ARG  91  -2.248 -12.590   1.407
  742   HH22  ARG  91          2HH1      ARG  91  -3.272 -13.374   0.253
  743    H    ASN  92           H        ASN  92  -6.073  -8.280   6.068
  744    HA   ASN  92           HA       ASN  92  -7.301  -5.983   4.851
  745    HB2  ASN  92           2HB      ASN  92  -8.124  -7.690   7.214
  746    HB3  ASN  92           1HB      ASN  92  -9.140  -6.441   6.501
  747   HD21  ASN  92          1HD2      ASN  92 -10.085  -9.073   6.432
  748   HD22  ASN  92          2HD2      ASN  92 -10.017  -9.666   4.844
  749    H    ASP  93           H        ASP  93  -5.910  -6.563   8.080
  750    HA   ASP  93           HA       ASP  93  -6.672  -4.061   9.213
  751    HB2  ASP  93           2HB      ASP  93  -4.307  -5.865   9.793
  752    HB3  ASP  93           1HB      ASP  93  -4.777  -4.492  10.791
  753    H    LEU  94           H        LEU  94  -3.806  -5.041   7.344
  754    HA   LEU  94           HA       LEU  94  -2.317  -2.646   7.646
  755    HB2  LEU  94           2HB      LEU  94  -1.443  -4.724   6.583
  756    HB3  LEU  94           1HB      LEU  94  -2.477  -4.419   5.189
  757    HG   LEU  94           HG       LEU  94  -1.349  -2.222   4.869
  758   HD11  LEU  94          1HD1      LEU  94  -0.374  -1.455   6.781
  759   HD12  LEU  94          2HD1      LEU  94   1.016  -2.383   6.219
  760   HD13  LEU  94          3HD1      LEU  94  -0.087  -3.078   7.406
  761   HD21  LEU  94          3HD2      LEU  94   1.067  -3.685   4.744
  762   HD22  LEU  94          1HD2      LEU  94  -0.102  -3.447   3.445
  763   HD23  LEU  94          2HD2      LEU  94  -0.225  -4.859   4.496
  764    H    ILE  95           H        ILE  95  -4.798  -3.508   5.226
  765    HA   ILE  95           HA       ILE  95  -4.653  -1.002   3.821
  766    HB   ILE  95           HB       ILE  95  -6.973  -2.928   4.068
  767   HG12  ILE  95          2HG1      ILE  95  -4.827  -2.738   1.933
  768   HG13  ILE  95          1HG1      ILE  95  -4.822  -3.928   3.234
  769   HG21  ILE  95          1HG2      ILE  95  -7.799  -0.890   3.167
  770   HG22  ILE  95          2HG2      ILE  95  -7.478  -1.908   1.762
  771   HG23  ILE  95          3HG2      ILE  95  -6.341  -0.637   2.208
  772   HD11  ILE  95          3HD1      ILE  95  -6.881  -4.906   2.455
  773   HD12  ILE  95          1HD1      ILE  95  -5.818  -4.753   1.056
  774   HD13  ILE  95          2HD1      ILE  95  -7.127  -3.596   1.298
  775    H    THR  96           H        THR  96  -6.628  -2.199   6.491
  776    HA   THR  96           HA       THR  96  -8.399  -0.024   6.760
  777    HB   THR  96           HB       THR  96  -7.229  -1.592   9.064
  778    HG1  THR  96           1HG      THR  96  -7.906  -3.201   7.854
  779   HG21  THR  96          3HG2      THR  96  -9.527  -1.278   9.968
  780   HG22  THR  96          1HG2      THR  96  -9.926  -0.311   8.548
  781   HG23  THR  96          2HG2      THR  96  -8.703   0.256   9.685
  782    H    TYR  97           H        TYR  97  -5.112  -0.482   8.065
  783    HA   TYR  97           HA       TYR  97  -5.053   1.832   9.716
  784    HB2  TYR  97           2HB      TYR  97  -3.312   0.049   9.730
  785    HB3  TYR  97           1HB      TYR  97  -2.746   0.625   8.163
  786    HD1  TYR  97           1HD      TYR  97  -3.234   1.607  11.721
  787    HD2  TYR  97           2HD      TYR  97  -1.349   2.544   7.977
  788    HE1  TYR  97           1HE      TYR  97  -1.854   3.332  12.848
  789    HE2  TYR  97           2HE      TYR  97   0.029   4.271   9.102
  790    HH   TYR  97           HH       TYR  97   0.759   4.457  11.969
  791    H    LEU  98           H        LEU  98  -3.954   1.466   6.314
  792    HA   LEU  98           HA       LEU  98  -3.395   4.278   5.993
  793    HB2  LEU  98           2HB      LEU  98  -4.048   2.144   3.934
  794    HB3  LEU  98           1HB      LEU  98  -3.445   3.757   3.550
  795    HG   LEU  98           HG       LEU  98  -2.004   1.721   5.275
  796   HD11  LEU  98          1HD1      LEU  98  -0.449   2.294   3.057
  797   HD12  LEU  98          2HD1      LEU  98  -2.080   2.237   2.386
  798   HD13  LEU  98          3HD1      LEU  98  -1.437   0.846   3.260
  799   HD21  LEU  98          3HD2      LEU  98  -1.173   3.741   6.043
  800   HD22  LEU  98          1HD2      LEU  98  -1.539   4.581   4.537
  801   HD23  LEU  98          2HD2      LEU  98  -0.134   3.520   4.636
  802    H    LYS  99           H        LYS  99  -6.214   2.245   5.521
  803    HA   LYS  99           HA       LYS  99  -7.890   4.061   4.143
  804    HB2  LYS  99           2HB      LYS  99  -8.355   1.617   4.677
  805    HB3  LYS  99           1HB      LYS  99  -8.765   2.138   6.310
  806    HG2  LYS  99           2HG      LYS  99 -10.470   3.676   5.351
  807    HG3  LYS  99           1HG      LYS  99 -10.114   3.019   3.756
  808    HD2  LYS  99           2HD      LYS  99 -10.728   0.760   4.555
  809    HD3  LYS  99           1HD      LYS  99 -11.129   1.439   6.133
  810    HE2  LYS  99           2HE      LYS  99 -12.895   2.786   5.181
  811    HE3  LYS  99           1HE      LYS  99 -12.419   2.338   3.544
  812    HZ1  LYS  99           3HZ      LYS  99 -12.969   0.043   4.047
  813    HZ2  LYS  99           1HZ      LYS  99 -14.313   1.045   4.300
  814    HZ3  LYS  99           2HZ      LYS  99 -13.420   0.472   5.627
  815    H    LYS 100           H        LYS 100  -7.289   3.640   7.626
  816    HA   LYS 100           HA       LYS 100  -9.182   5.541   8.574
  817    HB2  LYS 100           2HB      LYS 100  -7.942   3.899   9.994
  818    HB3  LYS 100           1HB      LYS 100  -6.482   4.861   9.771
  819    HG2  LYS 100           2HG      LYS 100  -7.671   6.823  10.753
  820    HG3  LYS 100           1HG      LYS 100  -9.062   5.783  11.066
  821    HD2  LYS 100           2HD      LYS 100  -7.516   4.268  12.370
  822    HD3  LYS 100           1HD      LYS 100  -6.276   5.509  12.214
  823    HE2  LYS 100           2HE      LYS 100  -7.264   6.017  14.289
  824    HE3  LYS 100           1HE      LYS 100  -8.085   7.116  13.180
  825    HZ1  LYS 100           3HZ      LYS 100  -9.201   5.106  14.785
  826    HZ2  LYS 100           1HZ      LYS 100  -9.460   4.688  13.162
  827    HZ3  LYS 100           2HZ      LYS 100  -9.995   6.191  13.746
  828    H    ALA 101           H        ALA 101  -5.819   5.913   7.521
  829    HA   ALA 101           HA       ALA 101  -5.426   8.609   8.276
  830    HB1  ALA 101           1HB      ALA 101  -4.318   7.880   5.639
  831    HB2  ALA 101           2HB      ALA 101  -3.936   6.742   6.931
  832    HB3  ALA 101           3HB      ALA 101  -3.490   8.440   7.092
  833    H    THR 102           H        THR 102  -7.106   7.239   5.480
  834    HA   THR 102           HA       THR 102  -7.444   9.758   4.104
  835    HB   THR 102           HB       THR 102  -9.111   8.565   2.765
  836    HG1  THR 102           1HG      THR 102  -9.669   6.438   3.392
  837   HG21  THR 102          3HG2      THR 102  -6.439   7.575   3.316
  838   HG22  THR 102          1HG2      THR 102  -7.273   7.732   1.772
  839   HG23  THR 102          2HG2      THR 102  -7.498   6.282   2.753
  840    H    GLU 103           H        GLU 103  -9.016   8.243   6.795
  841    HA   GLU 103           HA       GLU 103 -11.593   9.331   6.738
  842    HB2  GLU 103           2HB      GLU 103 -10.683   7.810   8.516
  843    HB3  GLU 103           1HB      GLU 103  -9.811   9.189   9.188
  844    HG2  GLU 103           2HG      GLU 103 -11.980  10.392   9.443
  845    HG3  GLU 103           1HG      GLU 103 -12.817   8.949   8.873
  846    HHA  HEC 201           HA       HEC 104   4.540   3.374  -5.457
  847    HHB  HEC 201           HB       HEC 104   1.188   0.200  -1.147
  848    HHC  HEC 201           HC       HEC 104   6.432  -0.702   2.264
  849    HHD  HEC 201           HD       HEC 104   9.813   2.333  -2.137
  850   HMA1  HEC 201          1HMA      HEC 104  -0.249   2.457  -3.845
  851   HMA2  HEC 201          2HMA      HEC 104  -0.079   1.961  -2.163
  852   HMA3  HEC 201          3HMA      HEC 104  -0.252   0.745  -3.425
  853   HAA1  HEC 201          1HAA      HEC 104   2.506   1.943  -6.392
  854   HAA2  HEC 201          2HAA      HEC 104   0.882   2.265  -5.807
  855   HBA1  HEC 201          1HBA      HEC 104   2.652   4.096  -7.003
  856   HBA2  HEC 201          2HBA      HEC 104   2.591   4.541  -5.298
  857   HMB1  HEC 201          1HMB      HEC 104   1.162  -1.813  -0.101
  858   HMB2  HEC 201          2HMB      HEC 104   1.710  -2.524   1.408
  859   HMB3  HEC 201          3HMB      HEC 104   0.695  -1.082   1.432
  860    HAB  HEC 201           HAB      HEC 104   4.755  -1.619   3.392
  861   HBB1  HEC 201          1HBB      HEC 104   1.737  -1.407   3.395
  862   HBB2  HEC 201          2HBB      HEC 104   2.708  -1.872   4.782
  863   HBB3  HEC 201          3HBB      HEC 104   2.694  -2.890   3.349
  864   HMC1  HEC 201          1HMC      HEC 104   8.992  -1.719   1.689
  865   HMC2  HEC 201          2HMC      HEC 104   8.732  -0.563   2.996
  866   HMC3  HEC 201          3HMC      HEC 104  10.256  -0.560   2.106
  867    HAC  HEC 201           HAC      HEC 104  10.874   2.402  -0.201
  868   HBC1  HEC 201          1HBC      HEC 104  12.278   0.225   1.071
  869   HBC2  HEC 201          2HBC      HEC 104  11.372  -0.375  -0.318
  870   HBC3  HEC 201          3HBC      HEC 104  12.544   0.928  -0.525
  871   HMD1  HEC 201          1HMD      HEC 104  10.097   2.287  -4.724
  872   HMD2  HEC 201          2HMD      HEC 104  10.274   3.932  -4.116
  873   HMD3  HEC 201          3HMD      HEC 104   9.622   3.655  -5.731
  874   HAD1  HEC 201          1HAD      HEC 104   7.794   5.270  -5.795
  875   HAD2  HEC 201          2HAD      HEC 104   6.062   4.999  -5.842
  876   HBD1  HEC 201          1HBD      HEC 104   7.793   4.508  -7.917
  877   HBD2  HEC 201          2HBD      HEC 104   7.603   2.907  -7.202