*HEADER    STRUCTURAL PROTEIN                      05-DEC-08   2KBQ              
*TITLE     SOLUTION STRUCTURE OF HARMONIN N TERMINAL DOMAIN                      
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: HARMONIN;                                                  
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: N TERMINAL DOMAIN, RESIDUES 1-80;                          
*COMPND   5 SYNONYM: USHER SYNDROME TYPE-1C PROTEIN, AUTOIMMUNE                  
*COMPND   6 ENTEROPATHY-RELATED ANTIGEN AIE-75, ANTIGEN NY-CO-38/NY-CO-          
*COMPND   7 37, PDZ-73 PROTEIN, RENAL CARCINOMA ANTIGEN NY-REN-3;                
*COMPND   8 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 ORGANISM_TAXID: 9606;                                                
*SOURCE   5 GENE: HARMONIN;                                                      
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 469008;                                     
*SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: VECTOR;                               
*SOURCE  10 EXPRESSION_SYSTEM_VECTOR: PET32A                                     
*KEYWDS    PROTEIN, ALTERNATIVE SPLICING, COILED COIL, DEAFNESS,                 
*KEYWDS   2 HEARING, NON-SYNDROMIC DEAFNESS, POLYMORPHISM, RETINITIS             
*KEYWDS   3 PIGMENTOSA, SENSORY TRANSDUCTION, USHER SYNDROME, VISION,            
*KEYWDS   4 STRUCTURAL PROTEIN                                                   
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    M.ZHANG, L.PAN, J.YAN, L.WU                                           
*REVDAT   1   31-MAR-09 2KBQ    0                                                

assign (segid A and resid 4 and name HA )(segid A and resid 4 and name HD# ) 5 3.2 1.0
assign (segid A and resid 4 and name HA )(segid A and resid 4 and name HG# ) 3.3 1.5 1.0
assign (segid A and resid 4 and name HA )(segid A and resid 7 and name HB# ) 3.3 1.5 1.0
assign (segid A and resid 4 and name HB# )(segid A and resid 4 and name HD# ) 2.7 0.9 2.0
assign (segid A and resid 4 and name HB# )(segid A and resid 4 and name HE# ) 5 3.2 2.0
assign (segid A and resid 4 and name HB# )(segid A and resid 4 and name HG# ) 3.3 1.5 2.0
assign (segid A and resid 4 and name HD# )(segid A and resid 4 and name HE# ) 2.7 0.9 2.0
assign (segid A and resid 4 and name HD# )(segid A and resid 4 and name HG# ) 2.7 0.9 2.0
assign (segid A and resid 4 and name HE# )(segid A and resid 4 and name HG# ) 3.3 1.5 2.0
assign (segid A and resid 4 and name HE# )(segid A and resid 5 and name HG# ) 3.3 1.5 3.4
assign (segid A and resid 5 and name HA )(segid A and resid 5 and name HB ) 3.3 1.5 0.0
assign (segid A and resid 5 and name HA )(segid A and resid 5 and name HG# ) 2.7 0.9 1.7
assign (segid A and resid 5 and name HA )(segid A and resid 8 and name HB# ) 3.3 1.5 1.0
assign (segid A and resid 5 and name HB )(segid A and resid 5 and name HG# ) 2.7 0.9 1.7
assign (segid A and resid 5 and name HB )(segid A and resid 64 and name HD# ) 5 3.2 1.0
assign (segid A and resid 5 and name HG# )(segid A and resid 64 and name HG# ) 3.3 1.5 3.4
assign (segid A and resid 5 and name HG# )(segid A and resid 65 and name HD# ) 2.7 0.9 4.8
assign (segid A and resid 6 and name HA )(segid A and resid 6 and name HB# ) 2.7 0.9 1.5
assign (segid A and resid 6 and name HA )(segid A and resid 9 and name HB# ) 5 3.2 1.0
assign (segid A and resid 7 and name HA )(segid A and resid 10 and name HB# ) 3.3 1.5 1.0
assign (segid A and resid 7 and name HA )(segid A and resid 7 and name HB# ) 3.3 1.5 1.0
assign (segid A and resid 7 and name HA )(segid A and resid 7 and name HG# ) 5 3.2 1.0
assign (segid A and resid 7 and name HB# )(segid A and resid 7 and name HD# ) 3.3 1.5 2.0
assign (segid A and resid 7 and name HB# )(segid A and resid 7 and name HG# ) 2.7 0.9 2.0
assign (segid A and resid 7 and name HD# )(segid A and resid 7 and name HG# ) 2.7 0.9 2.0
assign (segid A and resid 8 and name HA )(segid A and resid 11 and name HB# ) 3.3 1.5 1.0
assign (segid A and resid 8 and name HA )(segid A and resid 8 and name HB# ) 3.3 1.5 1.0
assign (segid A and resid 8 and name HA )(segid A and resid 8 and name HG# ) 3.3 1.5 1.0
assign (segid A and resid 8 and name HB# )(segid A and resid 8 and name HG# ) 3.3 1.5 2.0
assign (segid A and resid 9 and name HA )(segid A and resid 12 and name HD# ) 5 3.2 1.0
assign (segid A and resid 9 and name HA )(segid A and resid 12 and name HG# ) 5.9 4.1 1.0
assign (segid A and resid 9 and name HA )(segid A and resid 9 and name HB# ) 3.3 1.5 1.0
assign (segid A and resid 10 and name HA )(segid A and resid 10 and name HB# ) 3.3 1.5 1.0
assign (segid A and resid 10 and name HA )(segid A and resid 10 and name HD# ) 3.3 1.5 1.0
assign (segid A and resid 10 and name HA )(segid A and resid 10 and name HG# ) 5 3.2 1.0
assign (segid A and resid 10 and name HA )(segid A and resid 13 and name HB ) 3.3 1.5 0.0
assign (segid A and resid 10 and name HA )(segid A and resid 13 and name HG# ) 5 3.2 2.4
assign (segid A and resid 10 and name HB# )(segid A and resid 10 and name HG# ) 3.3 1.5 2.0
assign (segid A and resid 10 and name HD# )(segid A and resid 10 and name HG# ) 3.3 1.5 2.0
assign (segid A and resid 11 and name HA )(segid A and resid 11 and name HB# ) 3.3 1.5 1.0
assign (segid A and resid 11 and name HA )(segid A and resid 14 and name HB# ) 5 3.2 1.0
assign (segid A and resid 12 and name HA )(segid A and resid 12 and name HB# ) 2.7 0.9 1.0
assign (segid A and resid 12 and name HA )(segid A and resid 12 and name HG# ) 3.3 1.5 1.0
assign (segid A and resid 12 and name HA )(segid A and resid 15 and name HB# ) 3.3 1.5 1.0
assign (segid A and resid 12 and name HB# )(segid A and resid 12 and name HG# ) 2.7 0.9 2.0
assign (segid A and resid 12 and name HD# )(segid A and resid 12 and name HE# ) 2.7 0.9 2.0
assign (segid A and resid 12 and name HD# )(segid A and resid 12 and name HG# ) 2.7 0.9 2.0
assign (segid A and resid 12 and name HE# )(segid A and resid 12 and name HG# ) 2.7 0.9 2.0
assign (segid A and resid 12 and name HG# )(segid A and resid 16 and name HD# ) 5 3.2 3.4
assign (segid A and resid 13 and name HA )(segid A and resid 13 and name HB ) 5 3.2 0.0
assign (segid A and resid 13 and name HA )(segid A and resid 13 and name HG# ) 2.7 0.9 1.7
assign (segid A and resid 13 and name HA )(segid A and resid 16 and name HB# ) 5 3.2 1.0
assign (segid A and resid 13 and name HA )(segid A and resid 17 and name HD1# ) 5 3.2 1.5
assign (segid A and resid 13 and name HA )(segid A and resid 58 and name HD# ) 3.3 1.5 2.4
assign (segid A and resid 13 and name HB )(segid A and resid 13 and name HG# ) 2.7 0.9 1.7
assign (segid A and resid 13 and name HG# )(segid A and resid 14 and name HA ) 3.3 1.5 2.4
assign (segid A and resid 13 and name HG# )(segid A and resid 17 and name HB ) 5 3.2 2.4
assign (segid A and resid 13 and name HG# )(segid A and resid 17 and name HD1# ) 2.7 0.9 3.9
assign (segid A and resid 13 and name HG# )(segid A and resid 17 and name HG2# ) 2.7 0.9 3.9
assign (segid A and resid 13 and name HG# )(segid A and resid 23 and name HD# ) 3.3 1.5 3.4
assign (segid A and resid 13 and name HG# )(segid A and resid 23 and name HE# ) 5 3.2 3.4
assign (segid A and resid 13 and name HG# )(segid A and resid 23 and name HG# ) 5 3.2 3.4
assign (segid A and resid 13 and name HG# )(segid A and resid 26 and name HD# ) 2.7 0.9 4.8
assign (segid A and resid 13 and name HG# )(segid A and resid 58 and name HA ) 5 3.2 2.4
assign (segid A and resid 13 and name HG# )(segid A and resid 58 and name HD# ) 2.7 0.9 4.8
assign (segid A and resid 13 and name HG# )(segid A and resid 61 and name HB# ) 5 3.2 3.9
assign (segid A and resid 14 and name HA )(segid A and resid 14 and name HB# ) 3.3 1.5 1.0
assign (segid A and resid 14 and name HA )(segid A and resid 23 and name HE# ) 2.7 0.9 1.0
assign (segid A and resid 15 and name HA )(segid A and resid 15 and name HB# ) 2.7 0.9 1.0
assign (segid A and resid 15 and name HB# )(segid A and resid 16 and name HD# ) 5 3.2 3.4
assign (segid A and resid 15 and name HB# )(segid A and resid 16 and name HG ) 5 3.2 1.0
assign (segid A and resid 16 and name HA )(segid A and resid 16 and name HB# ) 3.3 1.5 1.0
assign (segid A and resid 16 and name HA )(segid A and resid 16 and name HD# ) 2.7 0.9 1.7
assign (segid A and resid 16 and name HA )(segid A and resid 16 and name HG ) 5 3.2 0.0
assign (segid A and resid 16 and name HB# )(segid A and resid 16 and name HD# ) 3.3 1.5 3.4
assign (segid A and resid 16 and name HB# )(segid A and resid 16 and name HG ) 5 3.2 1.0
assign (segid A and resid 16 and name HD# )(segid A and resid 16 and name HG ) 2.7 0.9 1.7
assign (segid A and resid 16 and name HD# )(segid A and resid 54 and name HB# ) 5 3.2 3.4
assign (segid A and resid 16 and name HD# )(segid A and resid 55 and name HA ) 5 3.2 2.4
assign (segid A and resid 16 and name HD# )(segid A and resid 58 and name HD# ) 2.7 0.9 4.8
assign (segid A and resid 16 and name HD# )(segid A and resid 58 and name HG ) 3.3 1.5 2.4
assign (segid A and resid 16 and name HD# )(segid A and resid 61 and name HB# ) 3.3 1.5 3.9
assign (segid A and resid 16 and name HG )(segid A and resid 58 and name HD# ) 5 3.2 2.4
assign (segid A and resid 17 and name HA )(segid A and resid 17 and name HB ) 5 3.2 0.0
assign (segid A and resid 17 and name HA )(segid A and resid 17 and name HD1# ) 3.3 1.5 1.5
assign (segid A and resid 17 and name HA )(segid A and resid 17 and name HG1# ) 5 3.2 1.0
assign (segid A and resid 17 and name HA )(segid A and resid 17 and name HG2# ) 2.7 0.9 1.5
assign (segid A and resid 17 and name HB )(segid A and resid 17 and name HD1# ) 3.3 1.5 1.5
assign (segid A and resid 17 and name HB )(segid A and resid 17 and name HG1# ) 5 3.2 1.0
assign (segid A and resid 17 and name HB )(segid A and resid 17 and name HG2# ) 2.7 0.9 1.5
assign (segid A and resid 17 and name HB )(segid A and resid 23 and name HE# ) 5.9 4.1 1.0
assign (segid A and resid 17 and name HD1# )(segid A and resid 17 and name HG1# ) 3.3 1.5 2.5
assign (segid A and resid 17 and name HD1# )(segid A and resid 17 and name HG2# ) 2.7 0.9 3.0
assign (segid A and resid 17 and name HD1# )(segid A and resid 22 and name HB# ) 5 3.2 2.5
assign (segid A and resid 17 and name HD1# )(segid A and resid 23 and name HA ) 5.9 4.1 1.5
assign (segid A and resid 17 and name HD1# )(segid A and resid 26 and name HD# ) 2.7 0.9 3.9
assign (segid A and resid 17 and name HD1# )(segid A and resid 26 and name HG ) 5 3.2 1.5
assign (segid A and resid 17 and name HD1# )(segid A and resid 49 and name HG# ) 2.7 0.9 3.9
assign (segid A and resid 17 and name HD1# )(segid A and resid 55 and name HA ) 5 3.2 1.5
assign (segid A and resid 17 and name HD1# )(segid A and resid 55 and name HD# ) 5.9 4.1 2.5
assign (segid A and resid 17 and name HD1# )(segid A and resid 55 and name HG# ) 5 3.2 2.5
assign (segid A and resid 17 and name HD1# )(segid A and resid 58 and name HD# ) 2.7 0.9 3.9
assign (segid A and resid 17 and name HG1# )(segid A and resid 17 and name HG2# ) 3.3 1.5 2.5
assign (segid A and resid 17 and name HG2# )(segid A and resid 18 and name HA ) 5 3.2 1.5
assign (segid A and resid 17 and name HG2# )(segid A and resid 19 and name HB# ) 5 3.2 2.5
assign (segid A and resid 17 and name HG2# )(segid A and resid 22 and name HB# ) 3.3 1.5 2.5
assign (segid A and resid 17 and name HG2# )(segid A and resid 22 and name HG# ) 5 3.2 2.5
assign (segid A and resid 17 and name HG2# )(segid A and resid 23 and name HE# ) 3.3 1.5 2.5
assign (segid A and resid 17 and name HG2# )(segid A and resid 23 and name HG# ) 3.3 1.5 2.5
assign (segid A and resid 17 and name HG2# )(segid A and resid 26 and name HD# ) 5 3.2 3.9
assign (segid A and resid 17 and name HG2# )(segid A and resid 49 and name HG# ) 3.3 1.5 3.9
assign (segid A and resid 18 and name HA )(segid A and resid 18 and name HB# ) 2.7 0.9 1.0
assign (segid A and resid 18 and name HA )(segid A and resid 18 and name HG# ) 2.7 0.9 1.0
assign (segid A and resid 18 and name HB# )(segid A and resid 18 and name HG# ) 2.7 0.9 2.0
assign (segid A and resid 19 and name HA )(segid A and resid 19 and name HB# ) 2.7 0.9 1.0
assign (segid A and resid 19 and name HB# )(segid A and resid 22 and name HB# ) 5 3.2 2.0
assign (segid A and resid 19 and name HB# )(segid A and resid 22 and name HG# ) 5 3.2 2.0
assign (segid A and resid 20 and name HA )(segid A and resid 20 and name HB# ) 3.3 1.5 1.0
assign (segid A and resid 20 and name HA )(segid A and resid 23 and name HB# ) 3.3 1.5 1.0
assign (segid A and resid 20 and name HA )(segid A and resid 23 and name HE# ) 2.7 0.9 1.0
assign (segid A and resid 21 and name HA )(segid A and resid 21 and name HB# ) 2.7 0.9 1.5
assign (segid A and resid 21 and name HA )(segid A and resid 24 and name HB# ) 3.3 1.5 1.0
assign (segid A and resid 21 and name HB# )(segid A and resid 24 and name HB# ) 5 3.2 2.5
assign (segid A and resid 22 and name HA )(segid A and resid 22 and name HB# ) 3.3 1.5 1.0
assign (segid A and resid 22 and name HA )(segid A and resid 22 and name HG# ) 5 3.2 1.0
assign (segid A and resid 22 and name HA )(segid A and resid 25 and name HB# ) 3.3 1.5 1.0
assign (segid A and resid 22 and name HA )(segid A and resid 49 and name HG# ) 5 3.2 2.4
assign (segid A and resid 22 and name HB# )(segid A and resid 22 and name HG# ) 5 3.2 2.0
assign (segid A and resid 22 and name HB# )(segid A and resid 49 and name HG# ) 3.3 1.5 3.4
assign (segid A and resid 22 and name HG# )(segid A and resid 49 and name HG# ) 5 3.2 3.4
assign (segid A and resid 23 and name HA )(segid A and resid 23 and name HB# ) 5 3.2 1.0
assign (segid A and resid 23 and name HA )(segid A and resid 23 and name HG# ) 5 3.2 1.0
assign (segid A and resid 23 and name HA )(segid A and resid 26 and name HB# ) 3.3 1.5 1.0
assign (segid A and resid 23 and name HA )(segid A and resid 26 and name HD# ) 5 3.2 2.4
assign (segid A and resid 23 and name HB# )(segid A and resid 23 and name HE# ) 5 3.2 2.0
assign (segid A and resid 23 and name HB# )(segid A and resid 23 and name HG# ) 3.3 1.5 2.0
assign (segid A and resid 23 and name HD# )(segid A and resid 23 and name HE# ) 3.3 1.5 2.0
assign (segid A and resid 23 and name HD# )(segid A and resid 23 and name HG# ) 5 3.2 2.0
assign (segid A and resid 23 and name HE# )(segid A and resid 23 and name HG# ) 5 3.2 2.0
assign (segid A and resid 24 and name HA )(segid A and resid 24 and name HB# ) 2.7 0.9 1.0
assign (segid A and resid 24 and name HA )(segid A and resid 27 and name HB# ) 5 3.2 1.0
assign (segid A and resid 25 and name HA )(segid A and resid 25 and name HB# ) 2.7 0.9 1.0
assign (segid A and resid 25 and name HA )(segid A and resid 28 and name HB# ) 3.3 1.5 1.0
assign (segid A and resid 25 and name HB# )(segid A and resid 49 and name HG# ) 5 3.2 3.4
assign (segid A and resid 26 and name HA )(segid A and resid 26 and name HB# ) 3.3 1.5 1.0
assign (segid A and resid 26 and name HA )(segid A and resid 26 and name HD# ) 2.7 0.9 1.7
assign (segid A and resid 26 and name HA )(segid A and resid 26 and name HG ) 5 3.2 0.0
assign (segid A and resid 26 and name HA )(segid A and resid 29 and name HB ) 5 3.2 0.0
assign (segid A and resid 26 and name HA )(segid A and resid 29 and name HG# ) 3.3 1.5 2.4
assign (segid A and resid 26 and name HA )(segid A and resid 49 and name HG# ) 5 3.2 2.4
assign (segid A and resid 26 and name HB# )(segid A and resid 26 and name HD# ) 3.3 1.5 3.4
assign (segid A and resid 26 and name HB# )(segid A and resid 26 and name HG ) 5 3.2 1.0
assign (segid A and resid 26 and name HB# )(segid A and resid 49 and name HG# ) 3.3 1.5 3.4
assign (segid A and resid 26 and name HD# )(segid A and resid 26 and name HG ) 3.3 1.5 1.7
assign (segid A and resid 26 and name HD# )(segid A and resid 49 and name HG# ) 2.7 0.9 4.8
assign (segid A and resid 26 and name HD# )(segid A and resid 50 and name HD1# ) 3.3 1.5 3.9
assign (segid A and resid 26 and name HD# )(segid A and resid 62 and name HD1# ) 2.7 0.9 3.9
assign (segid A and resid 27 and name HA )(segid A and resid 27 and name HB# ) 5 3.2 1.0
assign (segid A and resid 27 and name HA )(segid A and resid 30 and name HB# ) 5.9 4.1 1.0
assign (segid A and resid 27 and name HA )(segid A and resid 30 and name HD# ) 5 3.2 2.4
assign (segid A and resid 27 and name HA )(segid A and resid 30 and name HG ) 5.9 4.1 0.0
assign (segid A and resid 28 and name HA )(segid A and resid 28 and name HB# ) 3.3 1.5 1.0
assign (segid A and resid 29 and name HA )(segid A and resid 29 and name HB ) 3.3 1.5 0.0
assign (segid A and resid 29 and name HA )(segid A and resid 29 and name HG# ) 2.7 0.9 1.7
assign (segid A and resid 29 and name HA )(segid A and resid 32 and name HB# ) 5 3.2 1.0
assign (segid A and resid 29 and name HA )(segid A and resid 32 and name HG# ) 5 3.2 1.0
assign (segid A and resid 29 and name HA )(segid A and resid 42 and name HD# ) 5 3.2 2.4
assign (segid A and resid 29 and name HB )(segid A and resid 29 and name HG# ) 2.7 0.9 1.7
assign (segid A and resid 29 and name HB )(segid A and resid 42 and name HD# ) 5 3.2 2.4
assign (segid A and resid 29 and name HG# )(segid A and resid 42 and name HA ) 5 3.2 2.4
assign (segid A and resid 29 and name HG# )(segid A and resid 42 and name HD# ) 2.7 0.9 4.8
assign (segid A and resid 29 and name HG# )(segid A and resid 45 and name HA ) 5 3.2 2.4
assign (segid A and resid 29 and name HG# )(segid A and resid 45 and name HB# ) 3.3 1.5 3.4
assign (segid A and resid 29 and name HG# )(segid A and resid 46 and name HA ) 5 3.2 2.4
assign (segid A and resid 29 and name HG# )(segid A and resid 46 and name HD# ) 2.7 0.9 4.8
assign (segid A and resid 29 and name HG# )(segid A and resid 46 and name HG ) 5 3.2 2.4
assign (segid A and resid 30 and name HA )(segid A and resid 30 and name HB# ) 5 3.2 1.0
assign (segid A and resid 30 and name HA )(segid A and resid 30 and name HD# ) 2.7 0.9 1.7
assign (segid A and resid 30 and name HA )(segid A and resid 30 and name HG ) 3.3 1.5 0.0
assign (segid A and resid 30 and name HA )(segid A and resid 33 and name HB# ) 5 3.2 1.0
assign (segid A and resid 30 and name HB# )(segid A and resid 30 and name HD# ) 3.3 1.5 3.4
assign (segid A and resid 30 and name HB# )(segid A and resid 30 and name HG ) 5 3.2 1.0
assign (segid A and resid 30 and name HD# )(segid A and resid 30 and name HG ) 2.7 0.9 1.7
assign (segid A and resid 30 and name HD# )(segid A and resid 42 and name HD# ) 3.3 1.5 4.8
assign (segid A and resid 30 and name HD# )(segid A and resid 62 and name HB ) 5.9 4.1 2.4
assign (segid A and resid 30 and name HD# )(segid A and resid 62 and name HG2# ) 2.7 0.9 3.9
assign (segid A and resid 30 and name HD# )(segid A and resid 65 and name HD# ) 5 3.2 4.8
assign (segid A and resid 30 and name HG )(segid A and resid 62 and name HG2# ) 3.3 1.5 1.5
assign (segid A and resid 32 and name HA )(segid A and resid 32 and name HB# ) 2.7 0.9 1.0
assign (segid A and resid 32 and name HA )(segid A and resid 32 and name HE# ) 3.3 1.5 1.5
assign (segid A and resid 32 and name HA )(segid A and resid 32 and name HG# ) 3.3 1.5 1.0
assign (segid A and resid 32 and name HA )(segid A and resid 35 and name HB# ) 5 3.2 1.0
assign (segid A and resid 32 and name HA )(segid A and resid 36 and name HG2# ) 5 3.2 1.5
assign (segid A and resid 32 and name HB# )(segid A and resid 32 and name HE# ) 2.7 0.9 2.5
assign (segid A and resid 32 and name HB# )(segid A and resid 32 and name HG# ) 2.7 0.9 2.0
assign (segid A and resid 32 and name HE# )(segid A and resid 32 and name HG# ) 2.7 0.9 2.5
assign (segid A and resid 32 and name HE# )(segid A and resid 36 and name HG2# ) 2.7 0.9 3.0
assign (segid A and resid 32 and name HG# )(segid A and resid 36 and name HG2# ) 3.3 1.5 2.5
assign (segid A and resid 33 and name HA )(segid A and resid 33 and name HB# ) 3.3 1.5 1.0
assign (segid A and resid 33 and name HA )(segid A and resid 42 and name HD# ) 5.9 4.1 2.4
assign (segid A and resid 33 and name HB# )(segid A and resid 42 and name HD# ) 3.3 1.5 3.4
assign (segid A and resid 34 and name HA )(segid A and resid 34 and name HB# ) 3.3 1.5 1.0
assign (segid A and resid 34 and name HA )(segid A and resid 37 and name HE# ) 2.7 0.9 1.5
assign (segid A and resid 35 and name HA )(segid A and resid 35 and name HB# ) 3.3 1.5 1.0
assign (segid A and resid 35 and name HA )(segid A and resid 35 and name HG# ) 3.3 1.5 1.0
assign (segid A and resid 35 and name HB# )(segid A and resid 35 and name HG# ) 3.3 1.5 2.0
assign (segid A and resid 35 and name HB# )(segid A and resid 36 and name HG2# ) 3.3 1.5 2.5
assign (segid A and resid 35 and name HG# )(segid A and resid 36 and name HG2# ) 5 3.2 2.5
assign (segid A and resid 36 and name HA )(segid A and resid 36 and name HB ) 2.7 0.9 0.0
assign (segid A and resid 36 and name HA )(segid A and resid 36 and name HG2# ) 2.7 0.9 1.5
assign (segid A and resid 36 and name HB )(segid A and resid 36 and name HG2# ) 2.7 0.9 1.5
assign (segid A and resid 37 and name HA )(segid A and resid 37 and name HB# ) 2.7 0.9 1.0
assign (segid A and resid 37 and name HA )(segid A and resid 37 and name HE# ) 5 3.2 1.5
assign (segid A and resid 37 and name HA )(segid A and resid 37 and name HG# ) 3.3 1.5 1.0
assign (segid A and resid 37 and name HB# )(segid A and resid 37 and name HE# ) 5 3.2 2.5
assign (segid A and resid 37 and name HB# )(segid A and resid 37 and name HG# ) 3.3 1.5 2.0
assign (segid A and resid 37 and name HE# )(segid A and resid 37 and name HG# ) 3.3 1.5 2.5
assign (segid A and resid 38 and name HA )(segid A and resid 38 and name HB# ) 3.3 1.5 1.0
assign (segid A and resid 38 and name HB# )(segid A and resid 41 and name HB ) 5 3.2 1.0
assign (segid A and resid 38 and name HB# )(segid A and resid 41 and name HG# ) 3.3 1.5 3.4
assign (segid A and resid 39 and name HA )(segid A and resid 39 and name HB ) 3.3 1.5 0.0
assign (segid A and resid 39 and name HA )(segid A and resid 39 and name HG# ) 2.7 0.9 1.7
assign (segid A and resid 39 and name HA )(segid A and resid 42 and name HB# ) 5 3.2 1.0
assign (segid A and resid 39 and name HA )(segid A and resid 42 and name HD# ) 3.3 1.5 2.4
assign (segid A and resid 39 and name HB )(segid A and resid 39 and name HG# ) 2.7 0.9 1.7
assign (segid A and resid 39 and name HG# )(segid A and resid 40 and name HA ) 5 3.2 2.4
assign (segid A and resid 39 and name HG# )(segid A and resid 40 and name HB# ) 5 3.2 3.9
assign (segid A and resid 39 and name HG# )(segid A and resid 42 and name HD# ) 2.7 0.9 4.8
assign (segid A and resid 39 and name HG# )(segid A and resid 43 and name HG# ) 3.3 1.5 4.8
assign (segid A and resid 39 and name HG# )(segid A and resid 66 and name HD1# ) 3.3 1.5 3.9
assign (segid A and resid 39 and name HG# )(segid A and resid 66 and name HG2# ) 3.3 1.5 3.9
assign (segid A and resid 39 and name HG# )(segid A and resid 70 and name HA ) 5 3.2 2.4
assign (segid A and resid 39 and name HG# )(segid A and resid 70 and name HB# ) 3.3 1.5 3.4
assign (segid A and resid 39 and name HG# )(segid A and resid 73 and name HB# ) 3.3 1.5 3.4
assign (segid A and resid 39 and name HG# )(segid A and resid 73 and name HG# ) 2.7 0.9 3.4
assign (segid A and resid 39 and name HG# )(segid A and resid 78 and name HG2# ) 5 3.2 3.9
assign (segid A and resid 40 and name HA )(segid A and resid 40 and name HB# ) 2.7 0.9 1.5
assign (segid A and resid 40 and name HA )(segid A and resid 43 and name HB ) 5 3.2 0.0
assign (segid A and resid 40 and name HA )(segid A and resid 43 and name HG# ) 5 3.2 2.4
assign (segid A and resid 40 and name HA )(segid A and resid 77 and name HD# ) 2.7 0.9 2.4
assign (segid A and resid 40 and name HB# )(segid A and resid 41 and name HG# ) 2.7 0.9 3.9
assign (segid A and resid 40 and name HB# )(segid A and resid 77 and name HD# ) 2.7 0.9 3.9
assign (segid A and resid 41 and name HA )(segid A and resid 41 and name HB ) 3.3 1.5 0.0
assign (segid A and resid 41 and name HA )(segid A and resid 41 and name HG# ) 2.7 0.9 1.7
assign (segid A and resid 41 and name HB )(segid A and resid 41 and name HG# ) 2.7 0.9 1.7
assign (segid A and resid 42 and name HA )(segid A and resid 42 and name HB# ) 5 3.2 1.0
assign (segid A and resid 42 and name HA )(segid A and resid 42 and name HD# ) 2.7 0.9 1.7
assign (segid A and resid 42 and name HA )(segid A and resid 42 and name HG ) 5 3.2 0.0
assign (segid A and resid 42 and name HA )(segid A and resid 45 and name HB# ) 5 3.2 1.0
assign (segid A and resid 42 and name HA )(segid A and resid 46 and name HD# ) 5 3.2 2.4
assign (segid A and resid 42 and name HB# )(segid A and resid 42 and name HD# ) 3.3 1.5 3.4
assign (segid A and resid 42 and name HB# )(segid A and resid 42 and name HG ) 5 3.2 1.0
assign (segid A and resid 42 and name HD# )(segid A and resid 42 and name HG ) 2.7 0.9 1.7
assign (segid A and resid 42 and name HD# )(segid A and resid 46 and name HD# ) 3.3 1.5 4.8
assign (segid A and resid 42 and name HD# )(segid A and resid 46 and name HG ) 5 3.2 2.4
assign (segid A and resid 42 and name HD# )(segid A and resid 62 and name HG2# ) 3.3 1.5 3.9
assign (segid A and resid 42 and name HD# )(segid A and resid 66 and name HD1# ) 2.7 0.9 3.9
assign (segid A and resid 42 and name HD# )(segid A and resid 66 and name HG2# ) 5 3.2 3.9
assign (segid A and resid 42 and name HG )(segid A and resid 46 and name HD# ) 3.3 1.5 2.4
assign (segid A and resid 42 and name HG )(segid A and resid 46 and name HG ) 5 3.2 0.0
assign (segid A and resid 43 and name HA )(segid A and resid 43 and name HB ) 3.3 1.5 0.0
assign (segid A and resid 43 and name HA )(segid A and resid 43 and name HG# ) 2.7 0.9 1.7
assign (segid A and resid 43 and name HA )(segid A and resid 46 and name HB# ) 5 3.2 1.0
assign (segid A and resid 43 and name HA )(segid A and resid 46 and name HD# ) 3.3 1.5 2.4
assign (segid A and resid 43 and name HA )(segid A and resid 46 and name HG ) 5.9 4.1 0.0
assign (segid A and resid 43 and name HA )(segid A and resid 78 and name HG2# ) 5.9 4.1 1.5
assign (segid A and resid 43 and name HB )(segid A and resid 43 and name HG# ) 2.7 0.9 1.7
assign (segid A and resid 43 and name HB )(segid A and resid 77 and name HD# ) 3.3 1.5 2.4
assign (segid A and resid 43 and name HG# )(segid A and resid 47 and name HE# ) 3.3 1.5 3.4
assign (segid A and resid 43 and name HG# )(segid A and resid 77 and name HA ) 5 3.2 2.4
assign (segid A and resid 43 and name HG# )(segid A and resid 77 and name HB# ) 3.3 1.5 3.4
assign (segid A and resid 43 and name HG# )(segid A and resid 77 and name HD# ) 2.7 0.9 4.8
assign (segid A and resid 43 and name HG# )(segid A and resid 78 and name HA ) 3.3 1.5 2.4
assign (segid A and resid 43 and name HG# )(segid A and resid 78 and name HG2# ) 2.7 0.9 3.9
assign (segid A and resid 44 and name HA# )(segid A and resid 47 and name HB# ) 5.9 4.1 2.0
assign (segid A and resid 45 and name HA )(segid A and resid 45 and name HB# ) 3.3 1.5 1.0
assign (segid A and resid 45 and name HA )(segid A and resid 48 and name HD# ) 3.3 1.5 2.4
assign (segid A and resid 45 and name HA )(segid A and resid 48 and name HG ) 5 3.2 0.0
assign (segid A and resid 46 and name HA )(segid A and resid 46 and name HB# ) 3.3 1.5 1.0
assign (segid A and resid 46 and name HA )(segid A and resid 46 and name HD# ) 2.7 0.9 1.7
assign (segid A and resid 46 and name HA )(segid A and resid 46 and name HG ) 5 3.2 0.0
assign (segid A and resid 46 and name HA )(segid A and resid 49 and name HB ) 5 3.2 0.0
assign (segid A and resid 46 and name HA )(segid A and resid 49 and name HG# ) 3.3 1.5 2.4
assign (segid A and resid 46 and name HB# )(segid A and resid 46 and name HD# ) 3.3 1.5 3.4
assign (segid A and resid 46 and name HB# )(segid A and resid 46 and name HG ) 5 3.2 1.0
assign (segid A and resid 46 and name HB# )(segid A and resid 50 and name HD1# ) 5 3.2 2.5
assign (segid A and resid 46 and name HD# )(segid A and resid 46 and name HG ) 2.7 0.9 1.7
assign (segid A and resid 46 and name HD# )(segid A and resid 49 and name HG# ) 3.3 1.5 4.8
assign (segid A and resid 46 and name HD# )(segid A and resid 50 and name HD1# ) 3.3 1.5 3.9
assign (segid A and resid 46 and name HD# )(segid A and resid 50 and name HG2# ) 5 3.2 3.9
assign (segid A and resid 46 and name HD# )(segid A and resid 62 and name HD1# ) 2.7 0.9 3.9
assign (segid A and resid 46 and name HD# )(segid A and resid 62 and name HG2# ) 3.3 1.5 3.9
assign (segid A and resid 47 and name HA )(segid A and resid 47 and name HB# ) 3.3 1.5 1.0
assign (segid A and resid 47 and name HA )(segid A and resid 47 and name HD# ) 5 3.2 1.0
assign (segid A and resid 47 and name HA )(segid A and resid 47 and name HG# ) 5 3.2 1.0
assign (segid A and resid 47 and name HA )(segid A and resid 50 and name HB ) 5 3.2 0.0
assign (segid A and resid 47 and name HB# )(segid A and resid 47 and name HD# ) 2.7 0.9 2.0
assign (segid A and resid 47 and name HB# )(segid A and resid 47 and name HE# ) 5.9 4.1 2.0
assign (segid A and resid 47 and name HB# )(segid A and resid 47 and name HG# ) 3.3 1.5 2.0
assign (segid A and resid 47 and name HD# )(segid A and resid 47 and name HE# ) 3.3 1.5 2.0
assign (segid A and resid 47 and name HD# )(segid A and resid 47 and name HG# ) 2.7 0.9 2.0
assign (segid A and resid 47 and name HE# )(segid A and resid 47 and name HG# ) 5 3.2 2.0
assign (segid A and resid 48 and name HA )(segid A and resid 48 and name HB# ) 2.7 0.9 1.0
assign (segid A and resid 48 and name HA )(segid A and resid 48 and name HD# ) 2.7 0.9 1.7
assign (segid A and resid 48 and name HA )(segid A and resid 48 and name HG ) 3.3 1.5 0.0
assign (segid A and resid 48 and name HB# )(segid A and resid 48 and name HD# ) 2.7 0.9 3.4
assign (segid A and resid 48 and name HB# )(segid A and resid 48 and name HG ) 3.3 1.5 1.0
assign (segid A and resid 48 and name HD# )(segid A and resid 48 and name HG ) 2.7 0.9 1.7
assign (segid A and resid 49 and name HA )(segid A and resid 49 and name HB ) 2.7 0.9 0.0
assign (segid A and resid 49 and name HA )(segid A and resid 49 and name HG# ) 2.7 0.9 1.7
assign (segid A and resid 49 and name HB )(segid A and resid 49 and name HG# ) 2.7 0.9 1.7
assign (segid A and resid 49 and name HG# )(segid A and resid 50 and name HD1# ) 5 3.2 3.9
assign (segid A and resid 50 and name HA )(segid A and resid 50 and name HB ) 5 3.2 0.0
assign (segid A and resid 50 and name HA )(segid A and resid 50 and name HD1# ) 5 3.2 1.5
assign (segid A and resid 50 and name HA )(segid A and resid 50 and name HG1# ) 5 3.2 1.0
assign (segid A and resid 50 and name HA )(segid A and resid 50 and name HG2# ) 2.7 0.9 1.5
assign (segid A and resid 50 and name HA )(segid A and resid 55 and name HB# ) 5 3.2 1.0
assign (segid A and resid 50 and name HA )(segid A and resid 55 and name HD# ) 5 3.2 1.0
assign (segid A and resid 50 and name HB )(segid A and resid 50 and name HD1# ) 3.3 1.5 1.5
assign (segid A and resid 50 and name HB )(segid A and resid 50 and name HG1# ) 5 3.2 1.0
assign (segid A and resid 50 and name HB )(segid A and resid 50 and name HG2# ) 2.7 0.9 1.5
assign (segid A and resid 50 and name HD1# )(segid A and resid 50 and name HG1# ) 3.3 1.5 2.5
assign (segid A and resid 50 and name HD1# )(segid A and resid 50 and name HG2# ) 2.7 0.9 3.0
assign (segid A and resid 50 and name HD1# )(segid A and resid 58 and name HB# ) 3.3 1.5 2.5
assign (segid A and resid 50 and name HD1# )(segid A and resid 58 and name HD# ) 3.3 1.5 3.9
assign (segid A and resid 50 and name HD1# )(segid A and resid 59 and name HA ) 5 3.2 1.5
assign (segid A and resid 50 and name HD1# )(segid A and resid 62 and name HD1# ) 2.7 0.9 3.0
assign (segid A and resid 50 and name HG1# )(segid A and resid 50 and name HG2# ) 3.3 1.5 2.5
assign (segid A and resid 50 and name HG2# )(segid A and resid 55 and name HA ) 5 3.2 1.5
assign (segid A and resid 50 and name HG2# )(segid A and resid 55 and name HB# ) 5 3.2 2.5
assign (segid A and resid 50 and name HG2# )(segid A and resid 56 and name HA ) 2.7 0.9 1.5
assign (segid A and resid 50 and name HG2# )(segid A and resid 56 and name HD# ) 2.7 0.9 3.9
assign (segid A and resid 50 and name HG2# )(segid A and resid 58 and name HD# ) 3.3 1.5 3.9
assign (segid A and resid 51 and name HA )(segid A and resid 51 and name HB# ) 2.7 0.9 1.0
assign (segid A and resid 52 and name HA )(segid A and resid 52 and name HB# ) 2.7 0.9 1.0
assign (segid A and resid 52 and name HA )(segid A and resid 52 and name HG# ) 5 3.2 1.0
assign (segid A and resid 52 and name HA )(segid A and resid 53 and name HD# ) 2.7 0.9 1.0
assign (segid A and resid 52 and name HB# )(segid A and resid 52 and name HG# ) 2.7 0.9 2.0
assign (segid A and resid 52 and name HG# )(segid A and resid 53 and name HD# ) 5 3.2 2.0
assign (segid A and resid 52 and name HG# )(segid A and resid 55 and name HD# ) 5 3.2 2.0
assign (segid A and resid 53 and name HA )(segid A and resid 53 and name HB# ) 3.3 1.5 1.0
assign (segid A and resid 53 and name HA )(segid A and resid 53 and name HG# ) 2.7 0.9 1.0
assign (segid A and resid 53 and name HA )(segid A and resid 56 and name HB# ) 5 3.2 1.0
assign (segid A and resid 53 and name HA )(segid A and resid 56 and name HD# ) 2.7 0.9 2.4
assign (segid A and resid 53 and name HA )(segid A and resid 56 and name HG ) 2.7 0.9 0.0
assign (segid A and resid 53 and name HB# )(segid A and resid 53 and name HD# ) 2.7 0.9 2.0
assign (segid A and resid 53 and name HB# )(segid A and resid 53 and name HG# ) 2.7 0.9 2.0
assign (segid A and resid 53 and name HB# )(segid A and resid 56 and name HD# ) 3.3 1.5 3.4
assign (segid A and resid 53 and name HD# )(segid A and resid 53 and name HG# ) 3.3 1.5 2.0
assign (segid A and resid 54 and name HA )(segid A and resid 54 and name HB# ) 2.7 0.9 1.0
assign (segid A and resid 55 and name HA )(segid A and resid 55 and name HB# ) 3.3 1.5 1.0
assign (segid A and resid 55 and name HA )(segid A and resid 55 and name HG# ) 5 3.2 1.0
assign (segid A and resid 55 and name HB# )(segid A and resid 55 and name HD# ) 5 3.2 2.0
assign (segid A and resid 55 and name HB# )(segid A and resid 55 and name HG# ) 3.3 1.5 2.0
assign (segid A and resid 55 and name HD# )(segid A and resid 55 and name HG# ) 5 3.2 2.0
assign (segid A and resid 56 and name HA )(segid A and resid 56 and name HB# ) 5 3.2 1.0
assign (segid A and resid 56 and name HA )(segid A and resid 56 and name HD# ) 2.7 0.9 1.7
assign (segid A and resid 56 and name HA )(segid A and resid 56 and name HG ) 5 3.2 0.0
assign (segid A and resid 56 and name HB# )(segid A and resid 56 and name HD# ) 3.3 1.5 3.4
assign (segid A and resid 56 and name HB# )(segid A and resid 56 and name HG ) 5 3.2 1.0
assign (segid A and resid 56 and name HD# )(segid A and resid 56 and name HG ) 2.7 0.9 1.7
assign (segid A and resid 57 and name HA )(segid A and resid 57 and name HB# ) 3.3 1.5 1.0
assign (segid A and resid 57 and name HA )(segid A and resid 57 and name HG# ) 5 3.2 1.0
assign (segid A and resid 57 and name HB# )(segid A and resid 57 and name HD# ) 5 3.2 2.0
assign (segid A and resid 57 and name HB# )(segid A and resid 57 and name HG# ) 5 3.2 2.0
assign (segid A and resid 57 and name HD# )(segid A and resid 57 and name HG# ) 3.3 1.5 2.0
assign (segid A and resid 58 and name HA )(segid A and resid 58 and name HB# ) 3.3 1.5 1.0
assign (segid A and resid 58 and name HA )(segid A and resid 58 and name HD# ) 2.7 0.9 1.7
assign (segid A and resid 58 and name HA )(segid A and resid 58 and name HG ) 5 3.2 0.0
assign (segid A and resid 58 and name HA )(segid A and resid 61 and name HB# ) 5 3.2 1.5
assign (segid A and resid 58 and name HB# )(segid A and resid 58 and name HD# ) 2.7 0.9 3.4
assign (segid A and resid 58 and name HB# )(segid A and resid 58 and name HG ) 5 3.2 1.0
assign (segid A and resid 58 and name HB# )(segid A and resid 61 and name HB# ) 5.9 4.1 2.5
assign (segid A and resid 58 and name HD# )(segid A and resid 58 and name HG ) 2.7 0.9 1.7
assign (segid A and resid 58 and name HD# )(segid A and resid 61 and name HB# ) 2.7 0.9 3.9
assign (segid A and resid 59 and name HA )(segid A and resid 59 and name HB# ) 5 3.2 1.0
assign (segid A and resid 59 and name HA )(segid A and resid 62 and name HB ) 5 3.2 0.0
assign (segid A and resid 59 and name HA )(segid A and resid 62 and name HD1# ) 3.3 1.5 1.5
assign (segid A and resid 59 and name HA )(segid A and resid 62 and name HG2# ) 5.9 4.1 1.5
assign (segid A and resid 60 and name HA )(segid A and resid 60 and name HB# ) 3.3 1.5 1.0
assign (segid A and resid 61 and name HA )(segid A and resid 61 and name HB# ) 2.7 0.9 1.5
assign (segid A and resid 61 and name HA )(segid A and resid 64 and name HB# ) 3.3 1.5 1.0
assign (segid A and resid 61 and name HA )(segid A and resid 64 and name HG# ) 5.9 4.1 1.0
assign (segid A and resid 62 and name HA )(segid A and resid 62 and name HB ) 5 3.2 0.0
assign (segid A and resid 62 and name HA )(segid A and resid 62 and name HD1# ) 3.3 1.5 1.5
assign (segid A and resid 62 and name HA )(segid A and resid 62 and name HG1# ) 5 3.2 1.0
assign (segid A and resid 62 and name HA )(segid A and resid 62 and name HG2# ) 3.3 1.5 1.5
assign (segid A and resid 62 and name HA )(segid A and resid 65 and name HD# ) 5 3.2 2.4
assign (segid A and resid 62 and name HB )(segid A and resid 62 and name HD1# ) 3.3 1.5 1.5
assign (segid A and resid 62 and name HB )(segid A and resid 62 and name HG1# ) 5 3.2 1.0
assign (segid A and resid 62 and name HB )(segid A and resid 62 and name HG2# ) 2.7 0.9 1.5
assign (segid A and resid 62 and name HD1# )(segid A and resid 62 and name HG1# ) 3.3 1.5 2.5
assign (segid A and resid 62 and name HD1# )(segid A and resid 62 and name HG2# ) 2.7 0.9 3.0
assign (segid A and resid 62 and name HD1# )(segid A and resid 65 and name HD# ) 3.3 1.5 3.9
assign (segid A and resid 62 and name HG1# )(segid A and resid 62 and name HG2# ) 3.3 1.5 2.5
assign (segid A and resid 62 and name HG2# )(segid A and resid 65 and name HD# ) 5 3.2 3.9
assign (segid A and resid 62 and name HG2# )(segid A and resid 66 and name HD1# ) 2.7 0.9 3.0
assign (segid A and resid 62 and name HG2# )(segid A and resid 66 and name HG1# ) 5 3.2 2.5
assign (segid A and resid 62 and name HG2# )(segid A and resid 66 and name HG2# ) 5 3.2 3.0
assign (segid A and resid 63 and name HA )(segid A and resid 64 and name HD# ) 3.3 1.5 1.0
assign (segid A and resid 63 and name HA )(segid A and resid 66 and name HD1# ) 3.3 1.5 1.5
assign (segid A and resid 63 and name HA )(segid A and resid 66 and name HG2# ) 5.9 4.1 1.5
assign (segid A and resid 64 and name HA )(segid A and resid 64 and name HB# ) 2.7 0.9 1.0
assign (segid A and resid 64 and name HA )(segid A and resid 64 and name HG# ) 3.3 1.5 1.0
assign (segid A and resid 64 and name HB# )(segid A and resid 64 and name HD# ) 5 3.2 2.0
assign (segid A and resid 64 and name HB# )(segid A and resid 64 and name HG# ) 2.7 0.9 2.0
assign (segid A and resid 64 and name HB# )(segid A and resid 65 and name HD# ) 5 3.2 3.4
assign (segid A and resid 64 and name HD# )(segid A and resid 64 and name HG# ) 3.3 1.5 2.0
assign (segid A and resid 65 and name HA )(segid A and resid 65 and name HB# ) 3.3 1.5 1.0
assign (segid A and resid 65 and name HA )(segid A and resid 65 and name HD# ) 2.7 0.9 1.7
assign (segid A and resid 65 and name HA )(segid A and resid 65 and name HG ) 5 3.2 0.0
assign (segid A and resid 65 and name HB# )(segid A and resid 65 and name HD# ) 3.3 1.5 3.4
assign (segid A and resid 65 and name HB# )(segid A and resid 65 and name HG ) 5 3.2 1.0
assign (segid A and resid 65 and name HD# )(segid A and resid 65 and name HG ) 2.7 0.9 1.7
assign (segid A and resid 66 and name HA )(segid A and resid 66 and name HB ) 5 3.2 0.0
assign (segid A and resid 66 and name HA )(segid A and resid 66 and name HD1# ) 3.3 1.5 1.5
assign (segid A and resid 66 and name HA )(segid A and resid 66 and name HG1# ) 5 3.2 1.0
assign (segid A and resid 66 and name HA )(segid A and resid 66 and name HG2# ) 3.3 1.5 1.5
assign (segid A and resid 66 and name HA )(segid A and resid 67 and name HD# ) 3.3 1.5 1.0
assign (segid A and resid 66 and name HB )(segid A and resid 66 and name HD1# ) 3.3 1.5 1.5
assign (segid A and resid 66 and name HB )(segid A and resid 66 and name HG1# ) 5 3.2 1.0
assign (segid A and resid 66 and name HB )(segid A and resid 66 and name HG2# ) 2.7 0.9 1.5
assign (segid A and resid 66 and name HD1# )(segid A and resid 66 and name HG1# ) 3.3 1.5 2.5
assign (segid A and resid 66 and name HD1# )(segid A and resid 66 and name HG2# ) 2.7 0.9 3.0
assign (segid A and resid 66 and name HD1# )(segid A and resid 71 and name HA ) 5 3.2 1.5
assign (segid A and resid 66 and name HD1# )(segid A and resid 71 and name HG# ) 5 3.2 2.5
assign (segid A and resid 66 and name HG1# )(segid A and resid 66 and name HG2# ) 5 3.2 2.5
assign (segid A and resid 66 and name HG2# )(segid A and resid 67 and name HD# ) 5 3.2 2.5
assign (segid A and resid 66 and name HG2# )(segid A and resid 70 and name HA ) 5.9 4.1 1.5
assign (segid A and resid 66 and name HG2# )(segid A and resid 70 and name HB# ) 5 3.2 2.5
assign (segid A and resid 66 and name HG2# )(segid A and resid 71 and name HA ) 3.3 1.5 1.5
assign (segid A and resid 66 and name HG2# )(segid A and resid 71 and name HG# ) 5 3.2 2.5
assign (segid A and resid 66 and name HG2# )(segid A and resid 74 and name HB# ) 5 3.2 2.5
assign (segid A and resid 67 and name HA )(segid A and resid 67 and name HB# ) 2.7 0.9 1.0
assign (segid A and resid 67 and name HA )(segid A and resid 67 and name HG# ) 3.3 1.5 1.0
assign (segid A and resid 67 and name HA )(segid A and resid 68 and name HD# ) 5.9 4.1 2.4
assign (segid A and resid 67 and name HA )(segid A and resid 68 and name HG ) 5 3.2 0.0
assign (segid A and resid 67 and name HB# )(segid A and resid 67 and name HG# ) 2.7 0.9 2.0
assign (segid A and resid 67 and name HD# )(segid A and resid 67 and name HG# ) 3.3 1.5 2.0
assign (segid A and resid 68 and name HA )(segid A and resid 68 and name HB# ) 2.7 0.9 1.0
assign (segid A and resid 68 and name HA )(segid A and resid 68 and name HD# ) 2.7 0.9 1.7
assign (segid A and resid 68 and name HA )(segid A and resid 68 and name HG ) 3.3 1.5 0.0
assign (segid A and resid 68 and name HA )(segid A and resid 71 and name HB# ) 5 3.2 1.0
assign (segid A and resid 68 and name HA )(segid A and resid 71 and name HG# ) 3.3 1.5 1.0
assign (segid A and resid 68 and name HB# )(segid A and resid 68 and name HD# ) 2.7 0.9 3.4
assign (segid A and resid 68 and name HD# )(segid A and resid 68 and name HG ) 2.7 0.9 1.7
assign (segid A and resid 69 and name HA )(segid A and resid 69 and name HB# ) 2.7 0.9 1.0
assign (segid A and resid 69 and name HA )(segid A and resid 69 and name HD# ) 5 3.2 1.0
assign (segid A and resid 69 and name HA )(segid A and resid 69 and name HG# ) 5 3.2 1.0
assign (segid A and resid 69 and name HB# )(segid A and resid 69 and name HD# ) 3.3 1.5 2.0
assign (segid A and resid 69 and name HB# )(segid A and resid 69 and name HG# ) 5 3.2 2.0
assign (segid A and resid 69 and name HD# )(segid A and resid 69 and name HE# ) 2.7 0.9 2.0
assign (segid A and resid 69 and name HD# )(segid A and resid 69 and name HG# ) 2.7 0.9 2.0
assign (segid A and resid 69 and name HE# )(segid A and resid 69 and name HG# ) 5 3.2 2.0
assign (segid A and resid 70 and name HA )(segid A and resid 70 and name HB# ) 3.3 1.5 1.0
assign (segid A and resid 70 and name HA )(segid A and resid 73 and name HB# ) 5 3.2 1.0
assign (segid A and resid 71 and name HA )(segid A and resid 71 and name HB# ) 3.3 1.5 1.0
assign (segid A and resid 71 and name HA )(segid A and resid 71 and name HG# ) 3.3 1.5 1.0
assign (segid A and resid 71 and name HA )(segid A and resid 74 and name HB# ) 3.3 1.5 1.0
assign (segid A and resid 71 and name HB# )(segid A and resid 71 and name HG# ) 3.3 1.5 2.0
assign (segid A and resid 72 and name HA )(segid A and resid 72 and name HB ) 3.3 1.5 0.0
assign (segid A and resid 72 and name HA )(segid A and resid 72 and name HG# ) 2.7 0.9 1.7
assign (segid A and resid 72 and name HA )(segid A and resid 75 and name HB# ) 3.3 1.5 1.0
assign (segid A and resid 72 and name HB )(segid A and resid 72 and name HG# ) 2.7 0.9 1.7
assign (segid A and resid 72 and name HG# )(segid A and resid 75 and name HB# ) 5 3.2 3.4
assign (segid A and resid 72 and name HG# )(segid A and resid 76 and name HG# ) 3.3 1.5 3.4
assign (segid A and resid 73 and name HA )(segid A and resid 73 and name HB# ) 2.7 0.9 1.0
assign (segid A and resid 73 and name HA )(segid A and resid 73 and name HG# ) 2.7 0.9 1.0
assign (segid A and resid 73 and name HA )(segid A and resid 76 and name HB# ) 3.3 1.5 1.0
assign (segid A and resid 73 and name HA )(segid A and resid 76 and name HG# ) 3.3 1.5 1.0
assign (segid A and resid 73 and name HB# )(segid A and resid 73 and name HG# ) 2.7 0.9 2.0
assign (segid A and resid 73 and name HG# )(segid A and resid 77 and name HD# ) 5 3.2 3.4
assign (segid A and resid 75 and name HA )(segid A and resid 75 and name HB# ) 3.3 1.5 1.0
assign (segid A and resid 76 and name HA )(segid A and resid 76 and name HB# ) 2.7 0.9 1.0
assign (segid A and resid 76 and name HA )(segid A and resid 76 and name HG# ) 3.3 1.5 1.0
assign (segid A and resid 76 and name HB# )(segid A and resid 76 and name HG# ) 2.7 0.9 2.0
assign (segid A and resid 76 and name HB# )(segid A and resid 77 and name HD# ) 5 3.2 3.4
assign (segid A and resid 76 and name HB# )(segid A and resid 77 and name HG ) 5 3.2 1.0
assign (segid A and resid 77 and name HA )(segid A and resid 77 and name HB# ) 2.7 0.9 1.0
assign (segid A and resid 77 and name HA )(segid A and resid 77 and name HD# ) 2.7 0.9 1.7
assign (segid A and resid 77 and name HA )(segid A and resid 77 and name HG ) 3.3 1.5 0.0
assign (segid A and resid 77 and name HB# )(segid A and resid 77 and name HD# ) 2.7 0.9 3.4
assign (segid A and resid 77 and name HB# )(segid A and resid 77 and name HG ) 5 3.2 1.0
assign (segid A and resid 77 and name HD# )(segid A and resid 77 and name HG ) 2.7 0.9 1.7
assign (segid A and resid 78 and name HA )(segid A and resid 78 and name HB ) 2.7 0.9 0.0
assign (segid A and resid 78 and name HA )(segid A and resid 78 and name HG2# ) 2.7 0.9 1.5
assign (segid A and resid 78 and name HA )(segid A and resid 79 and name HD# ) 2.7 0.9 1.0
assign (segid A and resid 78 and name HA )(segid A and resid 79 and name HG# ) 5 3.2 1.0
assign (segid A and resid 78 and name HB )(segid A and resid 78 and name HG2# ) 2.7 0.9 1.5
assign (segid A and resid 78 and name HB )(segid A and resid 79 and name HD# ) 3.3 1.5 1.0
assign (segid A and resid 78 and name HG2# )(segid A and resid 79 and name HD# ) 3.3 1.5 2.5
assign (segid A and resid 79 and name HA )(segid A and resid 79 and name HB# ) 2.7 0.9 1.0
assign (segid A and resid 79 and name HA )(segid A and resid 79 and name HG# ) 3.3 1.5 1.0
assign (segid A and resid 79 and name HB# )(segid A and resid 79 and name HD# ) 5.9 4.1 2.0
assign (segid A and resid 79 and name HB# )(segid A and resid 79 and name HG# ) 3.3 1.5 2.0
assign (segid A and resid 79 and name HD# )(segid A and resid 79 and name HG# ) 5 3.2 2.0
assign (segid A and resid 4 and name HA )(segid A and resid 4 and name HN ) 5 3.2 0.0
assign (segid A and resid 4 and name HA )(segid A and resid 5 and name HN ) 5 3.2 0.0
assign (segid A and resid 4 and name HA )(segid A and resid 7 and name HN ) 5 3.2 0.0
assign (segid A and resid 4 and name HB# )(segid A and resid 4 and name HN ) 2.9 1.1 0.6
assign (segid A and resid 4 and name HB# )(segid A and resid 5 and name HN ) 3.5 1.7 1.0
assign (segid A and resid 4 and name HG# )(segid A and resid 4 and name HN ) 5 3.2 1.0
assign (segid A and resid 4 and name HN )(segid A and resid 5 and name HN ) 5 3.2 0.0
assign (segid A and resid 5 and name HA )(segid A and resid 5 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 5 and name HA )(segid A and resid 6 and name HN ) 5 3.2 0.0
assign (segid A and resid 5 and name HA )(segid A and resid 8 and name HN ) 5 3.2 0.0
assign (segid A and resid 5 and name HA )(segid A and resid 9 and name HN ) 5 3.2 0.0
assign (segid A and resid 5 and name HB )(segid A and resid 5 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 5 and name HB )(segid A and resid 6 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 5 and name HG# )(segid A and resid 5 and name HN ) 2.9 1.1 1.7
assign (segid A and resid 5 and name HG# )(segid A and resid 6 and name HN ) 3.5 1.7 2.4
assign (segid A and resid 5 and name HN )(segid A and resid 6 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 6 and name HA )(segid A and resid 6 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 6 and name HA )(segid A and resid 7 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 6 and name HA )(segid A and resid 9 and name HN ) 5 3.2 0.0
assign (segid A and resid 6 and name HB# )(segid A and resid 6 and name HN ) 2.9 1.1 1.1
assign (segid A and resid 6 and name HB# )(segid A and resid 7 and name HN ) 2.9 1.1 1.5
assign (segid A and resid 6 and name HN )(segid A and resid 7 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 7 and name HA )(segid A and resid 10 and name HN ) 5 3.2 0.0
assign (segid A and resid 7 and name HA )(segid A and resid 7 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 7 and name HA )(segid A and resid 8 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 7 and name HB# )(segid A and resid 7 and name HN ) 2.9 1.1 0.6
assign (segid A and resid 7 and name HB# )(segid A and resid 8 and name HN ) 3.5 1.7 1.0
assign (segid A and resid 7 and name HG# )(segid A and resid 7 and name HN ) 3.5 1.7 1.0
assign (segid A and resid 7 and name HN )(segid A and resid 8 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 8 and name HA )(segid A and resid 11 and name HN ) 5 3.2 0.0
assign (segid A and resid 8 and name HA )(segid A and resid 8 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 8 and name HA )(segid A and resid 9 and name HN ) 5 3.2 0.0
assign (segid A and resid 8 and name HB# )(segid A and resid 8 and name HN ) 2.9 1.1 0.6
assign (segid A and resid 8 and name HB# )(segid A and resid 9 and name HN ) 3.5 1.7 1.0
assign (segid A and resid 8 and name HG# )(segid A and resid 8 and name HN ) 3.5 1.7 1.0
assign (segid A and resid 8 and name HN )(segid A and resid 9 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 9 and name HA )(segid A and resid 10 and name HN ) 5 3.2 0.0
assign (segid A and resid 9 and name HA )(segid A and resid 12 and name HN ) 5 3.2 0.0
assign (segid A and resid 9 and name HA )(segid A and resid 13 and name HN ) 5 3.2 0.0
assign (segid A and resid 9 and name HA )(segid A and resid 9 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 9 and name HB# )(segid A and resid 10 and name HN ) 3.5 1.7 1.0
assign (segid A and resid 9 and name HB# )(segid A and resid 9 and name HN ) 2.9 1.1 0.6
assign (segid A and resid 9 and name HD# )(segid A and resid 10 and name HN ) 5 3.2 2.0
assign (segid A and resid 9 and name HD# )(segid A and resid 9 and name HN ) 3.5 1.7 2.0
assign (segid A and resid 9 and name HN )(segid A and resid 10 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 10 and name HA )(segid A and resid 10 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 10 and name HA )(segid A and resid 11 and name HN ) 5 3.2 0.0
assign (segid A and resid 10 and name HA )(segid A and resid 13 and name HN ) 5 3.2 0.0
assign (segid A and resid 10 and name HA )(segid A and resid 14 and name HN ) 5 3.2 0.0
assign (segid A and resid 10 and name HB# )(segid A and resid 10 and name HN ) 2.9 1.1 0.6
assign (segid A and resid 10 and name HB# )(segid A and resid 11 and name HN ) 2.9 1.1 1.0
assign (segid A and resid 10 and name HG# )(segid A and resid 10 and name HN ) 5 3.2 1.0
assign (segid A and resid 10 and name HN )(segid A and resid 11 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 10 and name HN )(segid A and resid 12 and name HN ) 5 3.2 0.0
assign (segid A and resid 11 and name HA )(segid A and resid 11 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 11 and name HA )(segid A and resid 12 and name HN ) 5 3.2 0.0
assign (segid A and resid 11 and name HA )(segid A and resid 14 and name HN ) 5 3.2 0.0
assign (segid A and resid 11 and name HB# )(segid A and resid 11 and name HN ) 2.9 1.1 0.6
assign (segid A and resid 11 and name HB# )(segid A and resid 12 and name HN ) 3.5 1.7 1.0
assign (segid A and resid 11 and name HD2 )(segid A and resid 11 and name HN ) 5 3.2 0.0
assign (segid A and resid 11 and name HN )(segid A and resid 12 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 12 and name HA )(segid A and resid 12 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 12 and name HA )(segid A and resid 13 and name HN ) 5 3.2 0.0
assign (segid A and resid 12 and name HA )(segid A and resid 15 and name HN ) 5 3.2 0.0
assign (segid A and resid 12 and name HB# )(segid A and resid 12 and name HN ) 2.9 1.1 0.6
assign (segid A and resid 12 and name HB# )(segid A and resid 13 and name HN ) 2.9 1.1 1.0
assign (segid A and resid 12 and name HD# )(segid A and resid 13 and name HN ) 3.5 1.7 1.0
assign (segid A and resid 12 and name HG# )(segid A and resid 12 and name HN ) 2.9 1.1 1.0
assign (segid A and resid 12 and name HN )(segid A and resid 13 and name HG# ) 5 3.2 2.4
assign (segid A and resid 12 and name HN )(segid A and resid 13 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 13 and name HA )(segid A and resid 13 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 13 and name HA )(segid A and resid 14 and name HN ) 5 3.2 0.0
assign (segid A and resid 13 and name HA )(segid A and resid 16 and name HN ) 5 3.2 0.0
assign (segid A and resid 13 and name HA )(segid A and resid 17 and name HN ) 5 3.2 0.0
assign (segid A and resid 13 and name HB )(segid A and resid 13 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 13 and name HB )(segid A and resid 14 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 13 and name HB )(segid A and resid 15 and name HN ) 5 3.2 0.0
assign (segid A and resid 13 and name HG# )(segid A and resid 13 and name HN ) 2.9 1.1 1.7
assign (segid A and resid 13 and name HG# )(segid A and resid 14 and name HN ) 5 3.2 2.4
assign (segid A and resid 13 and name HN )(segid A and resid 14 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 14 and name HA )(segid A and resid 14 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 14 and name HA )(segid A and resid 15 and name HN ) 5 3.2 0.0
assign (segid A and resid 14 and name HA )(segid A and resid 17 and name HN ) 5 3.2 0.0
assign (segid A and resid 14 and name HB# )(segid A and resid 14 and name HN ) 2.9 1.1 0.6
assign (segid A and resid 14 and name HB# )(segid A and resid 15 and name HN ) 3.5 1.7 1.0
assign (segid A and resid 14 and name HN )(segid A and resid 15 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 15 and name HA )(segid A and resid 15 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 15 and name HA )(segid A and resid 16 and name HN ) 5 3.2 0.0
assign (segid A and resid 15 and name HB# )(segid A and resid 15 and name HN ) 2.9 1.1 0.6
assign (segid A and resid 15 and name HB# )(segid A and resid 16 and name HN ) 5 3.2 1.0
assign (segid A and resid 15 and name HD# )(segid A and resid 15 and name HN ) 5 3.2 2.0
assign (segid A and resid 15 and name HN )(segid A and resid 16 and name HD# ) 5 3.2 2.4
assign (segid A and resid 16 and name HA )(segid A and resid 16 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 16 and name HA )(segid A and resid 17 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 16 and name HB# )(segid A and resid 16 and name HN ) 3.5 1.7 0.6
assign (segid A and resid 16 and name HB# )(segid A and resid 17 and name HN ) 3.5 1.7 1.0
assign (segid A and resid 16 and name HD# )(segid A and resid 16 and name HN ) 3.5 1.7 1.7
assign (segid A and resid 16 and name HD# )(segid A and resid 17 and name HN ) 3.5 1.7 2.4
assign (segid A and resid 16 and name HG )(segid A and resid 16 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 16 and name HN )(segid A and resid 17 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 17 and name HA )(segid A and resid 17 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 17 and name HA )(segid A and resid 18 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 17 and name HA )(segid A and resid 19 and name HN ) 5 3.2 0.0
assign (segid A and resid 17 and name HB )(segid A and resid 17 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 17 and name HB )(segid A and resid 18 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 17 and name HD1# )(segid A and resid 17 and name HN ) 5 3.2 1.5
assign (segid A and resid 17 and name HD1# )(segid A and resid 18 and name HN ) 5 3.2 1.5
assign (segid A and resid 17 and name HG1# )(segid A and resid 17 and name HN ) 3.5 1.7 1.0
assign (segid A and resid 17 and name HG2# )(segid A and resid 17 and name HN ) 5 3.2 1.5
assign (segid A and resid 17 and name HG2# )(segid A and resid 18 and name HN ) 3.5 1.7 1.5
assign (segid A and resid 17 and name HG2# )(segid A and resid 22 and name HN ) 5 3.2 1.5
assign (segid A and resid 17 and name HG2# )(segid A and resid 23 and name HN ) 5 3.2 1.5
assign (segid A and resid 17 and name HN )(segid A and resid 18 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 18 and name HA )(segid A and resid 18 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 18 and name HA )(segid A and resid 19 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 18 and name HB# )(segid A and resid 18 and name HN ) 2.9 1.1 0.6
assign (segid A and resid 18 and name HB# )(segid A and resid 19 and name HN ) 2.9 1.1 1.0
assign (segid A and resid 18 and name HG# )(segid A and resid 18 and name HN ) 3.5 1.7 1.0
assign (segid A and resid 18 and name HG# )(segid A and resid 19 and name HN ) 5 3.2 1.0
assign (segid A and resid 18 and name HN )(segid A and resid 19 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 18 and name HN )(segid A and resid 23 and name HE# ) 5 3.2 1.0
assign (segid A and resid 19 and name HA )(segid A and resid 19 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 19 and name HA )(segid A and resid 20 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 19 and name HB# )(segid A and resid 19 and name HD2# ) 3.5 1.7 2.0
assign (segid A and resid 19 and name HB# )(segid A and resid 19 and name HN ) 2.9 1.1 0.6
assign (segid A and resid 19 and name HB# )(segid A and resid 20 and name HN ) 3.5 1.7 1.0
assign (segid A and resid 19 and name HB# )(segid A and resid 22 and name HN ) 3.5 1.7 1.0
assign (segid A and resid 19 and name HN )(segid A and resid 20 and name HN ) 5 3.2 0.0
assign (segid A and resid 20 and name HA )(segid A and resid 20 and name HN ) 5 3.2 0.0
assign (segid A and resid 20 and name HA )(segid A and resid 21 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 20 and name HA )(segid A and resid 23 and name HN ) 5 3.2 0.0
assign (segid A and resid 20 and name HB# )(segid A and resid 20 and name HN ) 3.5 1.7 0.6
assign (segid A and resid 20 and name HB# )(segid A and resid 21 and name HN ) 3.5 1.7 1.0
assign (segid A and resid 20 and name HN )(segid A and resid 21 and name HN ) 5 3.2 0.0
assign (segid A and resid 20 and name HN )(segid A and resid 22 and name HN ) 5 3.2 0.0
assign (segid A and resid 21 and name HA )(segid A and resid 21 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 21 and name HA )(segid A and resid 22 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 21 and name HA )(segid A and resid 24 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 21 and name HB# )(segid A and resid 21 and name HN ) 2.9 1.1 1.1
assign (segid A and resid 21 and name HB# )(segid A and resid 22 and name HN ) 3.5 1.7 1.5
assign (segid A and resid 21 and name HN )(segid A and resid 22 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 22 and name HA )(segid A and resid 22 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 22 and name HA )(segid A and resid 23 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 22 and name HA )(segid A and resid 25 and name HN ) 5 3.2 0.0
assign (segid A and resid 22 and name HA )(segid A and resid 26 and name HN ) 5 3.2 0.0
assign (segid A and resid 22 and name HB# )(segid A and resid 22 and name HN ) 3.5 1.7 0.6
assign (segid A and resid 22 and name HB# )(segid A and resid 23 and name HN ) 5 3.2 1.0
assign (segid A and resid 22 and name HG# )(segid A and resid 22 and name HN ) 2.9 1.1 1.0
assign (segid A and resid 22 and name HN )(segid A and resid 23 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 23 and name HA )(segid A and resid 23 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 23 and name HA )(segid A and resid 24 and name HN ) 5 3.2 0.0
assign (segid A and resid 23 and name HA )(segid A and resid 26 and name HN ) 5 3.2 0.0
assign (segid A and resid 23 and name HB# )(segid A and resid 23 and name HN ) 2.9 1.1 0.6
assign (segid A and resid 23 and name HB# )(segid A and resid 24 and name HN ) 3.5 1.7 1.0
assign (segid A and resid 23 and name HG# )(segid A and resid 23 and name HN ) 3.5 1.7 1.0
assign (segid A and resid 23 and name HG# )(segid A and resid 24 and name HN ) 5 3.2 1.0
assign (segid A and resid 23 and name HN )(segid A and resid 24 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 24 and name HA )(segid A and resid 24 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 24 and name HA )(segid A and resid 25 and name HN ) 5 3.2 0.0
assign (segid A and resid 24 and name HA )(segid A and resid 27 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 24 and name HB# )(segid A and resid 24 and name HN ) 2.9 1.1 0.6
assign (segid A and resid 24 and name HB# )(segid A and resid 25 and name HN ) 2.9 1.1 1.0
assign (segid A and resid 24 and name HN )(segid A and resid 25 and name HB# ) 5 3.2 1.0
assign (segid A and resid 24 and name HN )(segid A and resid 25 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 25 and name HA )(segid A and resid 25 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 25 and name HA )(segid A and resid 26 and name HN ) 5 3.2 0.0
assign (segid A and resid 25 and name HA )(segid A and resid 28 and name HN ) 5 3.2 0.0
assign (segid A and resid 25 and name HB# )(segid A and resid 25 and name HN ) 2.9 1.1 0.6
assign (segid A and resid 25 and name HB# )(segid A and resid 26 and name HN ) 3.5 1.7 1.0
assign (segid A and resid 25 and name HD# )(segid A and resid 25 and name HN ) 5 3.2 2.0
assign (segid A and resid 25 and name HD# )(segid A and resid 26 and name HN ) 5 3.2 2.0
assign (segid A and resid 25 and name HE# )(segid A and resid 25 and name HN ) 5 3.2 2.0
assign (segid A and resid 25 and name HE# )(segid A and resid 26 and name HN ) 5 3.2 2.0
assign (segid A and resid 25 and name HN )(segid A and resid 26 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 26 and name HA )(segid A and resid 26 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 26 and name HA )(segid A and resid 27 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 26 and name HB# )(segid A and resid 26 and name HN ) 2.9 1.1 0.6
assign (segid A and resid 26 and name HB# )(segid A and resid 27 and name HN ) 3.5 1.7 1.0
assign (segid A and resid 26 and name HD# )(segid A and resid 26 and name HN ) 5 3.2 1.7
assign (segid A and resid 26 and name HD# )(segid A and resid 27 and name HN ) 3.5 1.7 2.4
assign (segid A and resid 26 and name HG )(segid A and resid 26 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 26 and name HG )(segid A and resid 27 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 26 and name HN )(segid A and resid 27 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 26 and name HN )(segid A and resid 28 and name HN ) 5 3.2 0.0
assign (segid A and resid 26 and name HN )(segid A and resid 49 and name HG# ) 5 3.2 2.4
assign (segid A and resid 27 and name HA )(segid A and resid 27 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 27 and name HA )(segid A and resid 28 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 27 and name HA )(segid A and resid 29 and name HN ) 5 3.2 0.0
assign (segid A and resid 27 and name HA )(segid A and resid 30 and name HN ) 5 3.2 0.0
assign (segid A and resid 27 and name HB# )(segid A and resid 27 and name HN ) 2.9 1.1 0.6
assign (segid A and resid 27 and name HB# )(segid A and resid 28 and name HN ) 3.5 1.7 1.0
assign (segid A and resid 27 and name HD# )(segid A and resid 27 and name HN ) 3.5 1.7 2.0
assign (segid A and resid 27 and name HE# )(segid A and resid 27 and name HN ) 5 3.2 2.0
assign (segid A and resid 27 and name HN )(segid A and resid 28 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 28 and name HA )(segid A and resid 28 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 28 and name HA )(segid A and resid 29 and name HN ) 5 3.2 0.0
assign (segid A and resid 28 and name HA )(segid A and resid 31 and name HN ) 5 3.2 0.0
assign (segid A and resid 28 and name HB# )(segid A and resid 28 and name HN ) 2.9 1.1 0.6
assign (segid A and resid 28 and name HB# )(segid A and resid 29 and name HN ) 5 3.2 1.0
assign (segid A and resid 28 and name HN )(segid A and resid 29 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 29 and name HA )(segid A and resid 29 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 29 and name HA )(segid A and resid 30 and name HN ) 5 3.2 0.0
assign (segid A and resid 29 and name HA )(segid A and resid 32 and name HN ) 5 3.2 0.0
assign (segid A and resid 29 and name HB )(segid A and resid 29 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 29 and name HB )(segid A and resid 30 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 29 and name HG# )(segid A and resid 29 and name HN ) 2.9 1.1 1.7
assign (segid A and resid 29 and name HG# )(segid A and resid 30 and name HN ) 3.5 1.7 2.4
assign (segid A and resid 29 and name HG# )(segid A and resid 46 and name HN ) 3.5 1.7 2.4
assign (segid A and resid 29 and name HN )(segid A and resid 30 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 30 and name HA )(segid A and resid 30 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 30 and name HA )(segid A and resid 31 and name HN ) 5 3.2 0.0
assign (segid A and resid 30 and name HA )(segid A and resid 33 and name HN ) 5 3.2 0.0
assign (segid A and resid 30 and name HB# )(segid A and resid 30 and name HN ) 2.9 1.1 0.6
assign (segid A and resid 30 and name HB# )(segid A and resid 31 and name HN ) 5 3.2 1.0
assign (segid A and resid 30 and name HD# )(segid A and resid 30 and name HN ) 2.9 1.1 1.7
assign (segid A and resid 30 and name HD# )(segid A and resid 31 and name HN ) 5 3.2 2.4
assign (segid A and resid 30 and name HG )(segid A and resid 30 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 30 and name HN )(segid A and resid 31 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 31 and name HA )(segid A and resid 31 and name HN ) 5 3.2 0.0
assign (segid A and resid 31 and name HA )(segid A and resid 32 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 31 and name HA )(segid A and resid 34 and name HN ) 5 3.2 0.0
assign (segid A and resid 31 and name HN )(segid A and resid 32 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 32 and name HA )(segid A and resid 32 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 32 and name HA )(segid A and resid 33 and name HN ) 5 3.2 0.0
assign (segid A and resid 32 and name HA )(segid A and resid 35 and name HN ) 5 3.2 0.0
assign (segid A and resid 32 and name HB# )(segid A and resid 32 and name HN ) 2.9 1.1 0.6
assign (segid A and resid 32 and name HB# )(segid A and resid 33 and name HN ) 3.5 1.7 1.0
assign (segid A and resid 32 and name HG# )(segid A and resid 32 and name HN ) 2.9 1.1 1.0
assign (segid A and resid 32 and name HN )(segid A and resid 33 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 33 and name HA )(segid A and resid 33 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 33 and name HA )(segid A and resid 34 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 33 and name HA )(segid A and resid 35 and name HN ) 5 3.2 0.0
assign (segid A and resid 33 and name HB# )(segid A and resid 33 and name HN ) 3.5 1.7 0.6
assign (segid A and resid 33 and name HB# )(segid A and resid 34 and name HN ) 3.5 1.7 1.0
assign (segid A and resid 33 and name HD# )(segid A and resid 33 and name HN ) 5 3.2 2.0
assign (segid A and resid 33 and name HD# )(segid A and resid 34 and name HN ) 5 3.2 2.0
assign (segid A and resid 33 and name HD# )(segid A and resid 38 and name HN ) 3.5 1.7 2.0
assign (segid A and resid 33 and name HD# )(segid A and resid 39 and name HN ) 5 3.2 2.0
assign (segid A and resid 33 and name HE# )(segid A and resid 39 and name HN ) 5 3.2 2.0
assign (segid A and resid 33 and name HN )(segid A and resid 34 and name HN ) 5 3.2 0.0
assign (segid A and resid 33 and name HN )(segid A and resid 35 and name HN ) 5 3.2 0.0
assign (segid A and resid 33 and name HN )(segid A and resid 42 and name HD# ) 5 3.2 2.4
assign (segid A and resid 34 and name HA )(segid A and resid 34 and name HN ) 5 3.2 0.0
assign (segid A and resid 34 and name HA )(segid A and resid 35 and name HN ) 5 3.2 0.0
assign (segid A and resid 34 and name HB# )(segid A and resid 34 and name HN ) 3.5 1.7 0.6
assign (segid A and resid 34 and name HB# )(segid A and resid 35 and name HN ) 3.5 1.7 1.0
assign (segid A and resid 34 and name HN )(segid A and resid 35 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 35 and name HA )(segid A and resid 35 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 35 and name HA )(segid A and resid 36 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 35 and name HB# )(segid A and resid 35 and name HN ) 2.9 1.1 0.6
assign (segid A and resid 35 and name HB# )(segid A and resid 36 and name HN ) 3.5 1.7 1.0
assign (segid A and resid 35 and name HG# )(segid A and resid 35 and name HN ) 2.9 1.1 1.0
assign (segid A and resid 35 and name HN )(segid A and resid 36 and name HG2# ) 5 3.2 1.5
assign (segid A and resid 35 and name HN )(segid A and resid 36 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 36 and name HA )(segid A and resid 36 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 36 and name HA )(segid A and resid 37 and name HN ) 5 3.2 0.0
assign (segid A and resid 36 and name HB )(segid A and resid 36 and name HN ) 5 3.2 0.0
assign (segid A and resid 36 and name HB )(segid A and resid 38 and name HN ) 5 3.2 0.0
assign (segid A and resid 36 and name HG2# )(segid A and resid 36 and name HN ) 2.9 1.1 1.5
assign (segid A and resid 36 and name HG2# )(segid A and resid 38 and name HN ) 5 3.2 1.5
assign (segid A and resid 36 and name HN )(segid A and resid 37 and name HA ) 5 3.2 0.0
assign (segid A and resid 36 and name HN )(segid A and resid 37 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 37 and name HA )(segid A and resid 37 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 37 and name HA )(segid A and resid 38 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 37 and name HB# )(segid A and resid 37 and name HN ) 5 3.2 0.6
assign (segid A and resid 37 and name HG# )(segid A and resid 37 and name HN ) 5 3.2 1.0
assign (segid A and resid 37 and name HN )(segid A and resid 38 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 38 and name HA )(segid A and resid 38 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 38 and name HA )(segid A and resid 39 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 38 and name HA )(segid A and resid 40 and name HN ) 5 3.2 0.0
assign (segid A and resid 38 and name HB# )(segid A and resid 38 and name HN ) 2.9 1.1 0.6
assign (segid A and resid 38 and name HB# )(segid A and resid 39 and name HN ) 5 3.2 1.0
assign (segid A and resid 38 and name HB# )(segid A and resid 41 and name HN ) 5 3.2 1.0
assign (segid A and resid 38 and name HN )(segid A and resid 39 and name HN ) 5 3.2 0.0
assign (segid A and resid 38 and name HN )(segid A and resid 41 and name HG# ) 5 3.2 2.4
assign (segid A and resid 39 and name HA )(segid A and resid 39 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 39 and name HA )(segid A and resid 40 and name HN ) 5 3.2 0.0
assign (segid A and resid 39 and name HA )(segid A and resid 42 and name HN ) 5 3.2 0.0
assign (segid A and resid 39 and name HA )(segid A and resid 43 and name HN ) 5 3.2 0.0
assign (segid A and resid 39 and name HB )(segid A and resid 39 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 39 and name HB )(segid A and resid 40 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 39 and name HG# )(segid A and resid 39 and name HN ) 3.5 1.7 1.7
assign (segid A and resid 39 and name HG# )(segid A and resid 40 and name HN ) 2.9 1.1 2.4
assign (segid A and resid 39 and name HG# )(segid A and resid 74 and name HN ) 3.5 1.7 2.4
assign (segid A and resid 39 and name HN )(segid A and resid 40 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 40 and name HA )(segid A and resid 40 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 40 and name HA )(segid A and resid 41 and name HN ) 5 3.2 0.0
assign (segid A and resid 40 and name HA )(segid A and resid 43 and name HN ) 5 3.2 0.0
assign (segid A and resid 40 and name HB# )(segid A and resid 40 and name HN ) 2.9 1.1 1.1
assign (segid A and resid 40 and name HB# )(segid A and resid 41 and name HN ) 2.9 1.1 1.5
assign (segid A and resid 40 and name HN )(segid A and resid 41 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 40 and name HN )(segid A and resid 42 and name HN ) 5 3.2 0.0
assign (segid A and resid 41 and name HA )(segid A and resid 41 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 41 and name HA )(segid A and resid 42 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 41 and name HA )(segid A and resid 44 and name HN ) 5 3.2 0.0
assign (segid A and resid 41 and name HB )(segid A and resid 41 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 41 and name HB )(segid A and resid 42 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 41 and name HG# )(segid A and resid 41 and name HN ) 2.9 1.1 1.7
assign (segid A and resid 41 and name HG# )(segid A and resid 42 and name HN ) 3.5 1.7 2.4
assign (segid A and resid 41 and name HG# )(segid A and resid 45 and name HN ) 5 3.2 2.4
assign (segid A and resid 41 and name HN )(segid A and resid 42 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 42 and name HA )(segid A and resid 42 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 42 and name HA )(segid A and resid 43 and name HN ) 5 3.2 0.0
assign (segid A and resid 42 and name HA )(segid A and resid 44 and name HN ) 5 3.2 0.0
assign (segid A and resid 42 and name HA )(segid A and resid 45 and name HN ) 5 3.2 0.0
assign (segid A and resid 42 and name HB# )(segid A and resid 42 and name HN ) 3.5 1.7 0.6
assign (segid A and resid 42 and name HB# )(segid A and resid 43 and name HN ) 5 3.2 1.0
assign (segid A and resid 42 and name HD# )(segid A and resid 42 and name HN ) 3.5 1.7 1.7
assign (segid A and resid 42 and name HD# )(segid A and resid 43 and name HN ) 5 3.2 2.4
assign (segid A and resid 42 and name HG )(segid A and resid 43 and name HN ) 5 3.2 0.0
assign (segid A and resid 42 and name HN )(segid A and resid 43 and name HN ) 5 3.2 0.0
assign (segid A and resid 43 and name HA )(segid A and resid 43 and name HN ) 5 3.2 0.0
assign (segid A and resid 43 and name HA )(segid A and resid 44 and name HN ) 5 3.2 0.0
assign (segid A and resid 43 and name HA )(segid A and resid 46 and name HN ) 5 3.2 0.0
assign (segid A and resid 43 and name HB )(segid A and resid 43 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 43 and name HB )(segid A and resid 44 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 43 and name HG# )(segid A and resid 43 and name HN ) 2.9 1.1 1.7
assign (segid A and resid 43 and name HG# )(segid A and resid 44 and name HN ) 3.5 1.7 2.4
assign (segid A and resid 43 and name HN )(segid A and resid 44 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 44 and name HA# )(segid A and resid 44 and name HN ) 2.9 1.1 0.6
assign (segid A and resid 44 and name HA# )(segid A and resid 45 and name HN ) 3.5 1.7 1.0
assign (segid A and resid 44 and name HN )(segid A and resid 45 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 45 and name HA )(segid A and resid 45 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 45 and name HA )(segid A and resid 46 and name HN ) 5 3.2 0.0
assign (segid A and resid 45 and name HA )(segid A and resid 48 and name HN ) 5 3.2 0.0
assign (segid A and resid 45 and name HB# )(segid A and resid 45 and name HN ) 2.9 1.1 0.6
assign (segid A and resid 45 and name HB# )(segid A and resid 46 and name HN ) 5 3.2 1.0
assign (segid A and resid 45 and name HN )(segid A and resid 46 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 45 and name HN )(segid A and resid 48 and name HD# ) 3.5 1.7 2.4
assign (segid A and resid 46 and name HA )(segid A and resid 46 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 46 and name HA )(segid A and resid 47 and name HN ) 5 3.2 0.0
assign (segid A and resid 46 and name HA )(segid A and resid 48 and name HN ) 5 3.2 0.0
assign (segid A and resid 46 and name HB# )(segid A and resid 46 and name HN ) 3.5 1.7 0.6
assign (segid A and resid 46 and name HB# )(segid A and resid 47 and name HN ) 5 3.2 1.0
assign (segid A and resid 46 and name HD# )(segid A and resid 46 and name HN ) 3.5 1.7 1.7
assign (segid A and resid 46 and name HD# )(segid A and resid 47 and name HN ) 5 3.2 2.4
assign (segid A and resid 46 and name HG )(segid A and resid 46 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 46 and name HN )(segid A and resid 47 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 46 and name HN )(segid A and resid 59 and name HE# ) 5 3.2 2.0
assign (segid A and resid 47 and name HA )(segid A and resid 47 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 47 and name HA )(segid A and resid 48 and name HN ) 5 3.2 0.0
assign (segid A and resid 47 and name HA )(segid A and resid 49 and name HN ) 5 3.2 0.0
assign (segid A and resid 47 and name HA )(segid A and resid 50 and name HN ) 5 3.2 0.0
assign (segid A and resid 47 and name HB# )(segid A and resid 47 and name HN ) 2.9 1.1 0.6
assign (segid A and resid 47 and name HB# )(segid A and resid 48 and name HN ) 3.5 1.7 1.0
assign (segid A and resid 47 and name HD# )(segid A and resid 47 and name HN ) 5 3.2 1.0
assign (segid A and resid 47 and name HG# )(segid A and resid 47 and name HN ) 3.5 1.7 1.0
assign (segid A and resid 47 and name HN )(segid A and resid 48 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 47 and name HN )(segid A and resid 49 and name HN ) 5 3.2 0.0
assign (segid A and resid 47 and name HN )(segid A and resid 50 and name HN ) 5 3.2 0.0
assign (segid A and resid 48 and name HA )(segid A and resid 48 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 48 and name HA )(segid A and resid 49 and name HN ) 5 3.2 0.0
assign (segid A and resid 48 and name HB# )(segid A and resid 48 and name HN ) 2.9 1.1 0.6
assign (segid A and resid 48 and name HB# )(segid A and resid 49 and name HN ) 5 3.2 1.0
assign (segid A and resid 48 and name HD# )(segid A and resid 48 and name HN ) 5 3.2 1.7
assign (segid A and resid 48 and name HD# )(segid A and resid 49 and name HN ) 2.9 1.1 2.4
assign (segid A and resid 48 and name HG )(segid A and resid 48 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 48 and name HN )(segid A and resid 49 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 48 and name HN )(segid A and resid 50 and name HN ) 5 3.2 0.0
assign (segid A and resid 49 and name HA )(segid A and resid 49 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 49 and name HA )(segid A and resid 50 and name HN ) 5 3.2 0.0
assign (segid A and resid 49 and name HA )(segid A and resid 51 and name HD2# ) 5 3.2 1.0
assign (segid A and resid 49 and name HB )(segid A and resid 49 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 49 and name HB )(segid A and resid 50 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 49 and name HG# )(segid A and resid 49 and name HN ) 2.9 1.1 1.7
assign (segid A and resid 49 and name HG# )(segid A and resid 50 and name HN ) 3.5 1.7 2.4
assign (segid A and resid 49 and name HN )(segid A and resid 50 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 50 and name HA )(segid A and resid 50 and name HN ) 5 3.2 0.0
assign (segid A and resid 50 and name HA )(segid A and resid 51 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 50 and name HB )(segid A and resid 50 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 50 and name HB )(segid A and resid 51 and name HN ) 5 3.2 0.0
assign (segid A and resid 50 and name HD1# )(segid A and resid 50 and name HN ) 5 3.2 1.5
assign (segid A and resid 50 and name HD1# )(segid A and resid 58 and name HN ) 5 3.2 1.5
assign (segid A and resid 50 and name HD1# )(segid A and resid 59 and name HN ) 5 3.2 1.5
assign (segid A and resid 50 and name HG1# )(segid A and resid 50 and name HN ) 5 3.2 1.0
assign (segid A and resid 50 and name HG2# )(segid A and resid 50 and name HN ) 5 3.2 1.5
assign (segid A and resid 50 and name HG2# )(segid A and resid 51 and name HN ) 5 3.2 1.5
assign (segid A and resid 50 and name HG2# )(segid A and resid 52 and name HN ) 5 3.2 1.5
assign (segid A and resid 50 and name HG2# )(segid A and resid 58 and name HN ) 5 3.2 1.5
assign (segid A and resid 50 and name HN )(segid A and resid 51 and name HN ) 5 3.2 0.0
assign (segid A and resid 51 and name HA )(segid A and resid 51 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 51 and name HB# )(segid A and resid 51 and name HD2# ) 5 3.2 2.0
assign (segid A and resid 51 and name HB# )(segid A and resid 51 and name HN ) 3.5 1.7 0.6
assign (segid A and resid 51 and name HD2# )(segid A and resid 51 and name HN ) 5 3.2 1.0
assign (segid A and resid 51 and name HN )(segid A and resid 52 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 51 and name HN )(segid A and resid 55 and name HB# ) 5 3.2 1.0
assign (segid A and resid 51 and name HN )(segid A and resid 55 and name HD# ) 3.5 1.7 1.0
assign (segid A and resid 52 and name HA )(segid A and resid 52 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 52 and name HB# )(segid A and resid 52 and name HN ) 3.5 1.7 0.6
assign (segid A and resid 52 and name HB# )(segid A and resid 55 and name HN ) 3.5 1.7 1.0
assign (segid A and resid 52 and name HG# )(segid A and resid 52 and name HN ) 2.9 1.1 1.0
assign (segid A and resid 52 and name HN )(segid A and resid 53 and name HD# ) 3.5 1.7 1.0
assign (segid A and resid 52 and name HN )(segid A and resid 55 and name HB# ) 3.5 1.7 1.0
assign (segid A and resid 52 and name HN )(segid A and resid 55 and name HD# ) 5 3.2 1.0
assign (segid A and resid 52 and name HN )(segid A and resid 55 and name HG# ) 5 3.2 1.0
assign (segid A and resid 52 and name HN )(segid A and resid 55 and name HN ) 5 3.2 0.0
assign (segid A and resid 52 and name HN )(segid A and resid 56 and name HD# ) 5 3.2 2.4
assign (segid A and resid 53 and name HB# )(segid A and resid 54 and name HN ) 5 3.2 1.0
assign (segid A and resid 53 and name HD# )(segid A and resid 54 and name HN ) 2.9 1.1 1.0
assign (segid A and resid 53 and name HG# )(segid A and resid 54 and name HN ) 3.5 1.7 1.0
assign (segid A and resid 54 and name HA )(segid A and resid 54 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 54 and name HA )(segid A and resid 55 and name HN ) 5 3.2 0.0
assign (segid A and resid 54 and name HB# )(segid A and resid 54 and name HN ) 2.9 1.1 0.6
assign (segid A and resid 54 and name HB# )(segid A and resid 55 and name HN ) 5 3.2 1.0
assign (segid A and resid 54 and name HN )(segid A and resid 55 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 55 and name HA )(segid A and resid 55 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 55 and name HA )(segid A and resid 56 and name HN ) 5 3.2 0.0
assign (segid A and resid 55 and name HB# )(segid A and resid 55 and name HN ) 3.5 1.7 0.6
assign (segid A and resid 55 and name HB# )(segid A and resid 56 and name HN ) 5 3.2 1.0
assign (segid A and resid 55 and name HG# )(segid A and resid 55 and name HN ) 5 3.2 1.0
assign (segid A and resid 55 and name HN )(segid A and resid 56 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 56 and name HA )(segid A and resid 56 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 56 and name HB# )(segid A and resid 56 and name HN ) 3.5 1.7 0.6
assign (segid A and resid 56 and name HD# )(segid A and resid 56 and name HN ) 3.5 1.7 1.7
assign (segid A and resid 56 and name HG )(segid A and resid 56 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 56 and name HN )(segid A and resid 57 and name HD# ) 3.5 1.7 1.0
assign (segid A and resid 57 and name HA )(segid A and resid 58 and name HN ) 5 3.2 0.0
assign (segid A and resid 57 and name HA )(segid A and resid 59 and name HN ) 5 3.2 0.0
assign (segid A and resid 57 and name HD# )(segid A and resid 58 and name HN ) 5 3.2 1.0
assign (segid A and resid 58 and name HA )(segid A and resid 58 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 58 and name HA )(segid A and resid 59 and name HN ) 5 3.2 0.0
assign (segid A and resid 58 and name HA )(segid A and resid 60 and name HN ) 5 3.2 0.0
assign (segid A and resid 58 and name HA )(segid A and resid 61 and name HN ) 5 3.2 0.0
assign (segid A and resid 58 and name HB# )(segid A and resid 58 and name HN ) 3.5 1.7 0.6
assign (segid A and resid 58 and name HB# )(segid A and resid 59 and name HN ) 5 3.2 1.0
assign (segid A and resid 58 and name HD# )(segid A and resid 58 and name HN ) 3.5 1.7 1.7
assign (segid A and resid 58 and name HD# )(segid A and resid 61 and name HN ) 5 3.2 2.4
assign (segid A and resid 58 and name HG )(segid A and resid 58 and name HN ) 5 3.2 0.0
assign (segid A and resid 58 and name HN )(segid A and resid 59 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 58 and name HN )(segid A and resid 60 and name HN ) 5 3.2 0.0
assign (segid A and resid 59 and name HA )(segid A and resid 59 and name HN ) 5 3.2 0.0
assign (segid A and resid 59 and name HA )(segid A and resid 62 and name HN ) 5 3.2 0.0
assign (segid A and resid 59 and name HB# )(segid A and resid 59 and name HN ) 3.5 1.7 0.6
assign (segid A and resid 59 and name HB# )(segid A and resid 60 and name HN ) 3.5 1.7 1.0
assign (segid A and resid 59 and name HD# )(segid A and resid 59 and name HN ) 3.5 1.7 2.0
assign (segid A and resid 59 and name HN )(segid A and resid 60 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 59 and name HN )(segid A and resid 61 and name HN ) 5 3.2 0.0
assign (segid A and resid 60 and name HA )(segid A and resid 60 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 60 and name HA )(segid A and resid 61 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 60 and name HB# )(segid A and resid 60 and name HN ) 2.9 1.1 0.6
assign (segid A and resid 60 and name HB# )(segid A and resid 61 and name HN ) 3.5 1.7 1.0
assign (segid A and resid 60 and name HN )(segid A and resid 61 and name HB# ) 5 3.2 1.5
assign (segid A and resid 60 and name HN )(segid A and resid 61 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 61 and name HA )(segid A and resid 61 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 61 and name HA )(segid A and resid 62 and name HN ) 5 3.2 0.0
assign (segid A and resid 61 and name HB# )(segid A and resid 61 and name HN ) 2.9 1.1 1.1
assign (segid A and resid 61 and name HB# )(segid A and resid 62 and name HN ) 5 3.2 1.5
assign (segid A and resid 61 and name HN )(segid A and resid 62 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 62 and name HA )(segid A and resid 62 and name HN ) 5 3.2 0.0
assign (segid A and resid 62 and name HB )(segid A and resid 62 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 62 and name HB )(segid A and resid 63 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 62 and name HD1# )(segid A and resid 62 and name HN ) 3.5 1.7 1.5
assign (segid A and resid 62 and name HD1# )(segid A and resid 63 and name HN ) 5 3.2 1.5
assign (segid A and resid 62 and name HG1# )(segid A and resid 62 and name HN ) 2.9 1.1 1.0
assign (segid A and resid 62 and name HG2# )(segid A and resid 62 and name HN ) 5 3.2 1.5
assign (segid A and resid 62 and name HG2# )(segid A and resid 63 and name HN ) 5 3.2 1.5
assign (segid A and resid 62 and name HN )(segid A and resid 63 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 63 and name HA )(segid A and resid 63 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 63 and name HN )(segid A and resid 64 and name HD# ) 3.5 1.7 1.0
assign (segid A and resid 63 and name HN )(segid A and resid 74 and name HE# ) 5 3.2 2.0
assign (segid A and resid 64 and name HA )(segid A and resid 65 and name HN ) 5 3.2 0.0
assign (segid A and resid 64 and name HD# )(segid A and resid 65 and name HN ) 5 3.2 1.0
assign (segid A and resid 65 and name HA )(segid A and resid 65 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 65 and name HA )(segid A and resid 66 and name HN ) 5 3.2 0.0
assign (segid A and resid 65 and name HB# )(segid A and resid 65 and name HN ) 3.5 1.7 0.6
assign (segid A and resid 65 and name HB# )(segid A and resid 66 and name HN ) 3.5 1.7 1.0
assign (segid A and resid 65 and name HD# )(segid A and resid 65 and name HN ) 5 3.2 1.7
assign (segid A and resid 65 and name HG )(segid A and resid 65 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 65 and name HN )(segid A and resid 66 and name HB ) 5 3.2 0.0
assign (segid A and resid 65 and name HN )(segid A and resid 66 and name HD1# ) 5 3.2 1.5
assign (segid A and resid 65 and name HN )(segid A and resid 66 and name HG2# ) 5 3.2 1.5
assign (segid A and resid 65 and name HN )(segid A and resid 66 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 66 and name HA )(segid A and resid 66 and name HN ) 5 3.2 0.0
assign (segid A and resid 66 and name HB )(segid A and resid 66 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 66 and name HD1# )(segid A and resid 66 and name HN ) 3.5 1.7 1.5
assign (segid A and resid 66 and name HG1# )(segid A and resid 66 and name HN ) 3.5 1.7 1.0
assign (segid A and resid 66 and name HG2# )(segid A and resid 66 and name HN ) 5 3.2 1.5
assign (segid A and resid 66 and name HG2# )(segid A and resid 70 and name HN ) 3.5 1.7 1.5
assign (segid A and resid 66 and name HG2# )(segid A and resid 71 and name HN ) 3.5 1.7 1.5
assign (segid A and resid 67 and name HA )(segid A and resid 68 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 67 and name HB# )(segid A and resid 68 and name HN ) 3.5 1.7 1.0
assign (segid A and resid 67 and name HB# )(segid A and resid 69 and name HN ) 5 3.2 1.0
assign (segid A and resid 68 and name HA )(segid A and resid 68 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 68 and name HA )(segid A and resid 69 and name HN ) 5 3.2 0.0
assign (segid A and resid 68 and name HA )(segid A and resid 70 and name HN ) 5 3.2 0.0
assign (segid A and resid 68 and name HA )(segid A and resid 71 and name HN ) 5 3.2 0.0
assign (segid A and resid 68 and name HB# )(segid A and resid 68 and name HN ) 2.9 1.1 0.6
assign (segid A and resid 68 and name HB# )(segid A and resid 69 and name HN ) 2.9 1.1 1.0
assign (segid A and resid 68 and name HD# )(segid A and resid 68 and name HN ) 5 3.2 1.7
assign (segid A and resid 68 and name HD# )(segid A and resid 69 and name HN ) 3.5 1.7 2.4
assign (segid A and resid 68 and name HD# )(segid A and resid 70 and name HN ) 3.5 1.7 2.4
assign (segid A and resid 69 and name HA )(segid A and resid 69 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 69 and name HA )(segid A and resid 70 and name HN ) 5 3.2 0.0
assign (segid A and resid 69 and name HA )(segid A and resid 72 and name HN ) 5 3.2 0.0
assign (segid A and resid 69 and name HB# )(segid A and resid 69 and name HN ) 3.5 1.7 0.6
assign (segid A and resid 69 and name HB# )(segid A and resid 70 and name HN ) 3.5 1.7 1.0
assign (segid A and resid 69 and name HD# )(segid A and resid 69 and name HN ) 2.9 1.1 1.0
assign (segid A and resid 69 and name HG# )(segid A and resid 69 and name HN ) 2.9 1.1 1.0
assign (segid A and resid 69 and name HG# )(segid A and resid 70 and name HN ) 5 3.2 1.0
assign (segid A and resid 69 and name HN )(segid A and resid 70 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 69 and name HN )(segid A and resid 71 and name HN ) 5 3.2 0.0
assign (segid A and resid 70 and name HA )(segid A and resid 70 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 70 and name HA )(segid A and resid 71 and name HN ) 5 3.2 0.0
assign (segid A and resid 70 and name HA )(segid A and resid 73 and name HN ) 5 3.2 0.0
assign (segid A and resid 70 and name HB# )(segid A and resid 70 and name HN ) 3.5 1.7 0.6
assign (segid A and resid 70 and name HD2 )(segid A and resid 70 and name HN ) 5 3.2 0.0
assign (segid A and resid 70 and name HN )(segid A and resid 71 and name HB# ) 5 3.2 1.0
assign (segid A and resid 70 and name HN )(segid A and resid 71 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 71 and name HA )(segid A and resid 71 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 71 and name HA )(segid A and resid 72 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 71 and name HA )(segid A and resid 74 and name HN ) 5 3.2 0.0
assign (segid A and resid 71 and name HB# )(segid A and resid 71 and name HN ) 2.9 1.1 0.6
assign (segid A and resid 71 and name HB# )(segid A and resid 72 and name HN ) 3.5 1.7 1.0
assign (segid A and resid 71 and name HE2# )(segid A and resid 71 and name HG# ) 5 3.2 2.0
assign (segid A and resid 71 and name HG# )(segid A and resid 71 and name HN ) 3.5 1.7 1.0
assign (segid A and resid 71 and name HN )(segid A and resid 72 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 72 and name HA )(segid A and resid 72 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 72 and name HA )(segid A and resid 73 and name HN ) 5 3.2 0.0
assign (segid A and resid 72 and name HA )(segid A and resid 75 and name HN ) 5 3.2 0.0
assign (segid A and resid 72 and name HB )(segid A and resid 72 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 72 and name HB )(segid A and resid 73 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 72 and name HG# )(segid A and resid 72 and name HN ) 2.9 1.1 1.7
assign (segid A and resid 72 and name HG# )(segid A and resid 73 and name HN ) 3.5 1.7 2.4
assign (segid A and resid 72 and name HG# )(segid A and resid 76 and name HE2# ) 5 3.2 3.4
assign (segid A and resid 73 and name HA )(segid A and resid 73 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 73 and name HA )(segid A and resid 74 and name HN ) 5 3.2 0.0
assign (segid A and resid 73 and name HA )(segid A and resid 76 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 73 and name HB# )(segid A and resid 73 and name HN ) 2.9 1.1 0.6
assign (segid A and resid 73 and name HB# )(segid A and resid 74 and name HN ) 5 3.2 1.0
assign (segid A and resid 73 and name HG# )(segid A and resid 73 and name HN ) 3.5 1.7 1.0
assign (segid A and resid 73 and name HN )(segid A and resid 74 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 74 and name HA )(segid A and resid 74 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 74 and name HA )(segid A and resid 75 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 74 and name HA )(segid A and resid 77 and name HN ) 5 3.2 0.0
assign (segid A and resid 74 and name HB# )(segid A and resid 74 and name HN ) 2.9 1.1 0.6
assign (segid A and resid 74 and name HB# )(segid A and resid 75 and name HN ) 3.5 1.7 1.0
assign (segid A and resid 74 and name HD# )(segid A and resid 74 and name HN ) 5 3.2 2.0
assign (segid A and resid 74 and name HD# )(segid A and resid 75 and name HN ) 3.5 1.7 2.0
assign (segid A and resid 74 and name HN )(segid A and resid 75 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 74 and name HN )(segid A and resid 76 and name HN ) 5 3.2 0.0
assign (segid A and resid 75 and name HA )(segid A and resid 75 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 75 and name HA )(segid A and resid 76 and name HN ) 5 3.2 0.0
assign (segid A and resid 75 and name HB# )(segid A and resid 75 and name HN ) 2.9 1.1 0.6
assign (segid A and resid 75 and name HB# )(segid A and resid 76 and name HN ) 3.5 1.7 1.0
assign (segid A and resid 75 and name HN )(segid A and resid 76 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 75 and name HN )(segid A and resid 77 and name HN ) 5 3.2 0.0
assign (segid A and resid 76 and name HA )(segid A and resid 76 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 76 and name HA )(segid A and resid 77 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 76 and name HA )(segid A and resid 78 and name HN ) 5 3.2 0.0
assign (segid A and resid 76 and name HB# )(segid A and resid 76 and name HN ) 2.9 1.1 0.6
assign (segid A and resid 76 and name HB# )(segid A and resid 77 and name HN ) 5 3.2 1.0
assign (segid A and resid 76 and name HE2# )(segid A and resid 76 and name HG# ) 5 3.2 2.0
assign (segid A and resid 76 and name HG# )(segid A and resid 76 and name HN ) 5 3.2 1.0
assign (segid A and resid 76 and name HN )(segid A and resid 77 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 76 and name HN )(segid A and resid 78 and name HN ) 5 3.2 0.0
assign (segid A and resid 77 and name HA )(segid A and resid 77 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 77 and name HA )(segid A and resid 78 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 77 and name HB# )(segid A and resid 77 and name HN ) 2.9 1.1 0.6
assign (segid A and resid 77 and name HB# )(segid A and resid 78 and name HN ) 5 3.2 1.0
assign (segid A and resid 77 and name HD# )(segid A and resid 77 and name HN ) 2.9 1.1 1.7
assign (segid A and resid 77 and name HD# )(segid A and resid 78 and name HN ) 5 3.2 2.4
assign (segid A and resid 77 and name HG )(segid A and resid 77 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 77 and name HN )(segid A and resid 78 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 78 and name HA )(segid A and resid 78 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 78 and name HB )(segid A and resid 78 and name HN ) 5 3.2 0.0
assign (segid A and resid 78 and name HG2# )(segid A and resid 78 and name HN ) 2.9 1.1 1.5
assign (segid A and resid 7 and name HB# )(segid A and resid 11 and name HD2 ) 5 3.2 1.0
assign (segid A and resid 7 and name HG# )(segid A and resid 11 and name HD2 ) 5 3.2 1.0
assign (segid A and resid 8 and name HA )(segid A and resid 11 and name HD2 ) 5 3.2 0.0
assign (segid A and resid 9 and name HA )(segid A and resid 9 and name HD# ) 3.5 1.7 2.0
assign (segid A and resid 9 and name HA )(segid A and resid 9 and name HE# ) 5 3.2 2.0
assign (segid A and resid 9 and name HB# )(segid A and resid 9 and name HD# ) 2.9 1.1 3.0
assign (segid A and resid 9 and name HB# )(segid A and resid 9 and name HE# ) 5 3.2 3.0
assign (segid A and resid 9 and name HD# )(segid A and resid 13 and name HG# ) 3.5 1.7 4.4
assign (segid A and resid 9 and name HD# )(segid A and resid 61 and name HB# ) 2.9 1.1 3.5
assign (segid A and resid 9 and name HD# )(segid A and resid 62 and name HA ) 5 3.2 2.0
assign (segid A and resid 9 and name HD# )(segid A and resid 62 and name HD1# ) 5 3.2 3.5
assign (segid A and resid 9 and name HD# )(segid A and resid 9 and name HE# ) 2.9 1.1 4.0
assign (segid A and resid 9 and name HD# )(segid A and resid 9 and name HZ ) 3.5 1.7 2.0
assign (segid A and resid 9 and name HE# )(segid A and resid 13 and name HG# ) 3.5 1.7 4.4
assign (segid A and resid 9 and name HE# )(segid A and resid 61 and name HB# ) 3.5 1.7 3.5
assign (segid A and resid 9 and name HE# )(segid A and resid 62 and name HA ) 3.5 1.7 2.0
assign (segid A and resid 9 and name HE# )(segid A and resid 62 and name HD1# ) 3.5 1.7 3.5
assign (segid A and resid 9 and name HE# )(segid A and resid 62 and name HG1# ) 5 3.2 3.0
assign (segid A and resid 9 and name HE# )(segid A and resid 62 and name HG2# ) 3.5 1.7 3.5
assign (segid A and resid 9 and name HE# )(segid A and resid 9 and name HZ ) 2.9 1.1 2.0
assign (segid A and resid 9 and name HZ )(segid A and resid 13 and name HG# ) 3.5 1.7 2.4
assign (segid A and resid 9 and name HZ )(segid A and resid 62 and name HA ) 5 3.2 0.0
assign (segid A and resid 9 and name HZ )(segid A and resid 62 and name HD1# ) 3.5 1.7 1.5
assign (segid A and resid 9 and name HZ )(segid A and resid 62 and name HG1# ) 5 3.2 1.0
assign (segid A and resid 10 and name HA )(segid A and resid 27 and name HE# ) 5 3.2 2.0
assign (segid A and resid 11 and name HA )(segid A and resid 11 and name HD2 ) 5 3.2 0.0
assign (segid A and resid 12 and name HA )(segid A and resid 15 and name HD# ) 5 3.2 2.0
assign (segid A and resid 12 and name HG# )(segid A and resid 15 and name HD# ) 5 3.2 3.0
assign (segid A and resid 13 and name HG# )(segid A and resid 27 and name HD# ) 5 3.2 4.4
assign (segid A and resid 13 and name HG# )(segid A and resid 27 and name HE# ) 3.5 1.7 4.4
assign (segid A and resid 15 and name HA )(segid A and resid 15 and name HD# ) 3.5 1.7 2.0
assign (segid A and resid 15 and name HB# )(segid A and resid 15 and name HD# ) 3.5 1.7 3.0
assign (segid A and resid 15 and name HB# )(segid A and resid 15 and name HE# ) 5 3.2 3.0
assign (segid A and resid 15 and name HD# )(segid A and resid 15 and name HE# ) 2.9 1.1 4.0
assign (segid A and resid 15 and name HD# )(segid A and resid 16 and name HD# ) 3.5 1.7 4.4
assign (segid A and resid 15 and name HD# )(segid A and resid 16 and name HG ) 5 3.2 2.0
assign (segid A and resid 15 and name HE# )(segid A and resid 16 and name HD# ) 5 3.2 4.4
assign (segid A and resid 17 and name HD1# )(segid A and resid 27 and name HD# ) 5 3.2 3.5
assign (segid A and resid 22 and name HA )(segid A and resid 25 and name HD# ) 5 3.2 2.0
assign (segid A and resid 22 and name HA )(segid A and resid 25 and name HE# ) 5 3.2 2.0
assign (segid A and resid 24 and name HA )(segid A and resid 27 and name HD# ) 5 3.2 2.0
assign (segid A and resid 25 and name HA )(segid A and resid 25 and name HD# ) 3.5 1.7 2.0
assign (segid A and resid 25 and name HB# )(segid A and resid 25 and name HD# ) 2.9 1.1 3.0
assign (segid A and resid 25 and name HB# )(segid A and resid 25 and name HE# ) 3.5 1.7 3.0
assign (segid A and resid 25 and name HD# )(segid A and resid 25 and name HE# ) 2.9 1.1 4.0
assign (segid A and resid 25 and name HD# )(segid A and resid 28 and name HB# ) 3.5 1.7 3.0
assign (segid A and resid 25 and name HD# )(segid A and resid 29 and name HG# ) 3.5 1.7 4.4
assign (segid A and resid 25 and name HD# )(segid A and resid 49 and name HB ) 3.5 1.7 2.0
assign (segid A and resid 25 and name HD# )(segid A and resid 49 and name HG# ) 2.9 1.1 4.4
assign (segid A and resid 25 and name HE# )(segid A and resid 29 and name HG# ) 3.5 1.7 4.4
assign (segid A and resid 25 and name HE# )(segid A and resid 49 and name HB ) 3.5 1.7 2.0
assign (segid A and resid 25 and name HE# )(segid A and resid 49 and name HG# ) 2.9 1.1 4.4
assign (segid A and resid 27 and name HA )(segid A and resid 27 and name HD# ) 3.5 1.7 2.0
assign (segid A and resid 27 and name HB# )(segid A and resid 27 and name HD# ) 3.5 1.7 3.0
assign (segid A and resid 27 and name HD# )(segid A and resid 27 and name HE# ) 2.9 1.1 4.0
assign (segid A and resid 27 and name HD# )(segid A and resid 30 and name HD# ) 3.5 1.7 4.4
assign (segid A and resid 27 and name HE# )(segid A and resid 30 and name HD# ) 2.9 1.1 4.4
assign (segid A and resid 30 and name HA )(segid A and resid 33 and name HD# ) 5 3.2 2.0
assign (segid A and resid 33 and name HB# )(segid A and resid 33 and name HD# ) 3.5 1.7 3.0
assign (segid A and resid 33 and name HB# )(segid A and resid 33 and name HE# ) 5 3.2 3.0
assign (segid A and resid 33 and name HD# )(segid A and resid 33 and name HE# ) 2.9 1.1 4.0
assign (segid A and resid 33 and name HD# )(segid A and resid 39 and name HA ) 3.5 1.7 2.0
assign (segid A and resid 33 and name HD# )(segid A and resid 39 and name HB ) 5 3.2 2.0
assign (segid A and resid 33 and name HD# )(segid A and resid 39 and name HG# ) 3.5 1.7 4.4
assign (segid A and resid 33 and name HD# )(segid A and resid 42 and name HB# ) 5 3.2 3.0
assign (segid A and resid 33 and name HE# )(segid A and resid 39 and name HA ) 3.5 1.7 2.0
assign (segid A and resid 33 and name HE# )(segid A and resid 39 and name HB ) 3.5 1.7 2.0
assign (segid A and resid 33 and name HE# )(segid A and resid 39 and name HG# ) 3.5 1.7 4.4
assign (segid A and resid 33 and name HE# )(segid A and resid 42 and name HB# ) 5 3.2 3.0
assign (segid A and resid 33 and name HE# )(segid A and resid 42 and name HD# ) 3.5 1.7 4.4
assign (segid A and resid 33 and name HE# )(segid A and resid 66 and name HB ) 5 3.2 2.0
assign (segid A and resid 33 and name HE# )(segid A and resid 66 and name HD1# ) 3.5 1.7 3.5
assign (segid A and resid 33 and name HE# )(segid A and resid 66 and name HG2# ) 3.5 1.7 3.5
assign (segid A and resid 33 and name HE# )(segid A and resid 67 and name HD# ) 5 3.2 3.0
assign (segid A and resid 34 and name HA )(segid A and resid 34 and name HD2 ) 3.5 1.7 0.0
assign (segid A and resid 34 and name HB# )(segid A and resid 34 and name HD2 ) 3.5 1.7 1.0
assign (segid A and resid 34 and name HD2 )(segid A and resid 37 and name HE# ) 5 3.2 1.5
assign (segid A and resid 39 and name HG# )(segid A and resid 70 and name HD2 ) 3.5 1.7 2.4
assign (segid A and resid 43 and name HA )(segid A and resid 74 and name HD# ) 5 3.2 2.0
assign (segid A and resid 43 and name HA )(segid A and resid 74 and name HE# ) 3.5 1.7 2.0
assign (segid A and resid 43 and name HG# )(segid A and resid 59 and name HZ ) 5 3.2 2.4
assign (segid A and resid 46 and name HB# )(segid A and resid 59 and name HD# ) 5 3.2 3.0
assign (segid A and resid 46 and name HB# )(segid A and resid 59 and name HE# ) 3.5 1.7 3.0
assign (segid A and resid 46 and name HD# )(segid A and resid 59 and name HE# ) 5 3.2 4.4
assign (segid A and resid 46 and name HD# )(segid A and resid 74 and name HE# ) 2.9 1.1 4.4
assign (segid A and resid 46 and name HG )(segid A and resid 59 and name HE# ) 5 3.2 2.0
assign (segid A and resid 47 and name HA )(segid A and resid 59 and name HZ ) 3.5 1.7 0.0
assign (segid A and resid 47 and name HG# )(segid A and resid 59 and name HE# ) 5 3.2 3.0
assign (segid A and resid 47 and name HG# )(segid A and resid 59 and name HZ ) 3.5 1.7 1.0
assign (segid A and resid 50 and name HD1# )(segid A and resid 59 and name HD# ) 3.5 1.7 3.5
assign (segid A and resid 50 and name HD1# )(segid A and resid 59 and name HE# ) 3.5 1.7 3.5
assign (segid A and resid 50 and name HD1# )(segid A and resid 59 and name HZ ) 5 3.2 1.5
assign (segid A and resid 50 and name HG2# )(segid A and resid 59 and name HD# ) 3.5 1.7 3.5
assign (segid A and resid 50 and name HG2# )(segid A and resid 59 and name HE# ) 3.5 1.7 3.5
assign (segid A and resid 50 and name HG2# )(segid A and resid 59 and name HZ ) 5 3.2 1.5
assign (segid A and resid 56 and name HA )(segid A and resid 59 and name HD# ) 3.5 1.7 2.0
assign (segid A and resid 56 and name HA )(segid A and resid 59 and name HE# ) 5 3.2 2.0
assign (segid A and resid 56 and name HB# )(segid A and resid 59 and name HD# ) 5 3.2 3.0
assign (segid A and resid 56 and name HB# )(segid A and resid 59 and name HE# ) 3.5 1.7 3.0
assign (segid A and resid 56 and name HD# )(segid A and resid 59 and name HD# ) 3.5 1.7 4.4
assign (segid A and resid 56 and name HD# )(segid A and resid 59 and name HE# ) 3.5 1.7 4.4
assign (segid A and resid 56 and name HG )(segid A and resid 59 and name HD# ) 5 3.2 2.0
assign (segid A and resid 59 and name HA )(segid A and resid 59 and name HD# ) 3.5 1.7 2.0
assign (segid A and resid 59 and name HB# )(segid A and resid 59 and name HD# ) 3.5 1.7 3.0
assign (segid A and resid 59 and name HB# )(segid A and resid 59 and name HE# ) 5 3.2 3.0
assign (segid A and resid 59 and name HD# )(segid A and resid 59 and name HE# ) 2.9 1.1 4.0
assign (segid A and resid 59 and name HD# )(segid A and resid 59 and name HZ ) 3.5 1.7 2.0
assign (segid A and resid 59 and name HD# )(segid A and resid 62 and name HB ) 5 3.2 2.0
assign (segid A and resid 59 and name HD# )(segid A and resid 62 and name HD1# ) 5 3.2 3.5
assign (segid A and resid 59 and name HD# )(segid A and resid 62 and name HG2# ) 5 3.2 3.5
assign (segid A and resid 59 and name HD# )(segid A and resid 74 and name HE# ) 5 3.2 4.0
assign (segid A and resid 59 and name HD# )(segid A and resid 78 and name HB ) 3.5 1.7 2.0
assign (segid A and resid 59 and name HD# )(segid A and resid 78 and name HG2# ) 3.5 1.7 3.5
assign (segid A and resid 59 and name HE# )(segid A and resid 59 and name HZ ) 2.9 1.1 2.0
assign (segid A and resid 59 and name HE# )(segid A and resid 62 and name HB ) 5 3.2 2.0
assign (segid A and resid 59 and name HE# )(segid A and resid 74 and name HE# ) 5 3.2 4.0
assign (segid A and resid 59 and name HE# )(segid A and resid 78 and name HB ) 5 3.2 2.0
assign (segid A and resid 59 and name HE# )(segid A and resid 78 and name HG2# ) 3.5 1.7 3.5
assign (segid A and resid 59 and name HZ )(segid A and resid 78 and name HG2# ) 5 3.2 1.5
assign (segid A and resid 66 and name HB )(segid A and resid 74 and name HD# ) 5 3.2 2.0
assign (segid A and resid 66 and name HD1# )(segid A and resid 74 and name HD# ) 3.5 1.7 3.5
assign (segid A and resid 66 and name HD1# )(segid A and resid 74 and name HE# ) 3.5 1.7 3.5
assign (segid A and resid 66 and name HG1# )(segid A and resid 74 and name HE# ) 5 3.2 3.0
assign (segid A and resid 66 and name HG2# )(segid A and resid 74 and name HE# ) 5 3.2 3.5
assign (segid A and resid 69 and name HA )(segid A and resid 70 and name HD2 ) 5 3.2 0.0
assign (segid A and resid 69 and name HB# )(segid A and resid 70 and name HD2 ) 3.5 1.7 1.0
assign (segid A and resid 69 and name HD# )(segid A and resid 70 and name HD2 ) 5 3.2 1.0
assign (segid A and resid 69 and name HG# )(segid A and resid 70 and name HD2 ) 3.5 1.7 1.0
assign (segid A and resid 70 and name HA )(segid A and resid 70 and name HD2 ) 3.5 1.7 0.0
assign (segid A and resid 70 and name HB# )(segid A and resid 70 and name HD2 ) 3.5 1.7 1.0
assign (segid A and resid 74 and name HA )(segid A and resid 74 and name HD# ) 2.9 1.1 2.0
assign (segid A and resid 74 and name HB# )(segid A and resid 74 and name HD# ) 3.5 1.7 3.0
assign (segid A and resid 74 and name HB# )(segid A and resid 74 and name HE# ) 5 3.2 3.0
assign (segid A and resid 74 and name HD# )(segid A and resid 74 and name HE# ) 3.5 1.7 4.0
assign (segid A and resid 74 and name HD# )(segid A and resid 78 and name HG2# ) 3.5 1.7 3.5
assign (segid A and resid 74 and name HE# )(segid A and resid 78 and name HB ) 5 3.2 2.0
assign (segid A and resid 74 and name HE# )(segid A and resid 78 and name HG2# ) 3.5 1.7 3.5
!helix A Harmonin_N

assign (segid A and resid 5 and name O ) (segid A and resid 9 and name N ) 3.3 1.1 0.0
assign (segid A and resid 5 and name O ) (segid A and resid 9 and name HN ) 2.2 0.4 0.0

assign (segid A and resid 6 and name O ) (segid A and resid 10 and name N ) 3.3 1.1 0.0
assign (segid A and resid 6 and name O ) (segid A and resid 10 and name HN ) 2.2 0.4 0.0

assign (segid A and resid 7 and name O ) (segid A and resid 11 and name N ) 3.3 1.1 0.0
assign (segid A and resid 7 and name O ) (segid A and resid 11 and name HN ) 2.2 0.4 0.0

assign (segid A and resid 8 and name O ) (segid A and resid 12 and name N ) 3.3 1.1 0.0
assign (segid A and resid 8 and name O ) (segid A and resid 12 and name HN ) 2.2 0.4 0.0

assign (segid A and resid 9 and name O ) (segid A and resid 13 and name N ) 3.3 1.1 0.0
assign (segid A and resid 9 and name O ) (segid A and resid 13 and name HN ) 2.2 0.4 0.0

assign (segid A and resid 10 and name O ) (segid A and resid 14 and name N ) 3.3 1.1 0.0
assign (segid A and resid 10 and name O ) (segid A and resid 14 and name HN ) 2.2 0.4 0.0

assign (segid A and resid 11 and name O ) (segid A and resid 15 and name N ) 3.3 1.1 0.0
assign (segid A and resid 11 and name O ) (segid A and resid 15 and name HN ) 2.2 0.4 0.0

assign (segid A and resid 12 and name O ) (segid A and resid 16 and name N ) 3.3 1.1 0.0
assign (segid A and resid 12 and name O ) (segid A and resid 16 and name HN ) 2.2 0.4 0.0

assign (segid A and resid 13 and name O ) (segid A and resid 17 and name N ) 3.3 1.1 0.0
assign (segid A and resid 13 and name O ) (segid A and resid 17 and name HN ) 2.2 0.4 0.0


!helix B 

assign (segid A and resid 21 and name O ) (segid A and resid 25 and name N ) 3.3 1.1 0.0
assign (segid A and resid 21 and name O ) (segid A and resid 25 and name HN ) 2.2 0.4 0.0

assign (segid A and resid 22 and name O ) (segid A and resid 26 and name N ) 3.3 1.1 0.0
assign (segid A and resid 22 and name O ) (segid A and resid 26 and name HN ) 2.2 0.4 0.0

assign (segid A and resid 23 and name O ) (segid A and resid 27 and name N ) 3.3 1.1 0.0
assign (segid A and resid 23 and name O ) (segid A and resid 27 and name HN ) 2.2 0.4 0.0

assign (segid A and resid 24 and name O ) (segid A and resid 28 and name N ) 3.3 1.1 0.0
assign (segid A and resid 24 and name O ) (segid A and resid 28 and name HN ) 2.2 0.4 0.0

assign (segid A and resid 25 and name O ) (segid A and resid 29 and name N ) 3.3 1.1 0.0
assign (segid A and resid 25 and name O ) (segid A and resid 29 and name HN ) 2.2 0.4 0.0

assign (segid A and resid 26 and name O ) (segid A and resid 30 and name N ) 3.3 1.1 0.0
assign (segid A and resid 26 and name O ) (segid A and resid 30 and name HN ) 2.2 0.4 0.0

assign (segid A and resid 27 and name O ) (segid A and resid 31 and name N ) 3.3 1.1 0.0
assign (segid A and resid 27 and name O ) (segid A and resid 31 and name HN ) 2.2 0.4 0.0

assign (segid A and resid 28 and name O ) (segid A and resid 32 and name N ) 3.3 1.1 0.0
assign (segid A and resid 28 and name O ) (segid A and resid 32 and name HN ) 2.2 0.4 0.0

assign (segid A and resid 29 and name O ) (segid A and resid 33 and name N ) 3.3 1.1 0.0
assign (segid A and resid 29 and name O ) (segid A and resid 33 and name HN ) 2.2 0.4 0.0

assign (segid A and resid 30 and name O ) (segid A and resid 34 and name N ) 3.3 1.1 0.0
assign (segid A and resid 30 and name O ) (segid A and resid 34 and name HN ) 2.2 0.4 0.0

!helix c 

assign (segid A and resid 38 and name O ) (segid A and resid 42 and name N ) 3.3 1.1 0.0
assign (segid A and resid 38 and name O ) (segid A and resid 42 and name HN ) 2.2 0.4 0.0

assign (segid A and resid 39 and name O ) (segid A and resid 43 and name N ) 3.3 1.1 0.0
assign (segid A and resid 39 and name O ) (segid A and resid 43 and name HN ) 2.2 0.4 0.0


assign (segid A and resid 41 and name O ) (segid A and resid 45 and name N ) 3.3 1.1 0.0
assign (segid A and resid 41 and name O ) (segid A and resid 45 and name HN ) 2.2 0.4 0.0

assign (segid A and resid 42 and name O ) (segid A and resid 46 and name N ) 3.3 1.1 0.0
assign (segid A and resid 42 and name O ) (segid A and resid 46 and name HN ) 2.2 0.4 0.0

assign (segid A and resid 43 and name O ) (segid A and resid 47 and name N ) 3.3 1.1 0.0
assign (segid A and resid 43 and name O ) (segid A and resid 47 and name HN ) 2.2 0.4 0.0

assign (segid A and resid 44 and name O ) (segid A and resid 48 and name N ) 3.3 1.1 0.0
assign (segid A and resid 44 and name O ) (segid A and resid 48 and name HN ) 2.2 0.4 0.0

assign (segid A and resid 45 and name O ) (segid A and resid 49 and name N ) 3.3 1.1 0.0
assign (segid A and resid 45 and name O ) (segid A and resid 49 and name HN ) 2.2 0.4 0.0

assign (segid A and resid 46 and name O ) (segid A and resid 50 and name N ) 3.3 1.1 0.0
assign (segid A and resid 46 and name O ) (segid A and resid 50 and name HN ) 2.2 0.4 0.0

assign (segid A and resid 47 and name O ) (segid A and resid 51 and name N ) 3.3 1.1 0.0
assign (segid A and resid 47 and name O ) (segid A and resid 51 and name HN ) 2.2 0.4 0.0

!helix d 

assign (segid A and resid 59 and name O ) (segid A and resid 63 and name N ) 3.3 1.1 0.0
assign (segid A and resid 59 and name O ) (segid A and resid 63 and name HN ) 2.2 0.4 0.0

!helix e 

assign (segid A and resid 69 and name O ) (segid A and resid 73 and name N ) 3.3 1.1 0.0
assign (segid A and resid 69 and name O ) (segid A and resid 73 and name HN ) 2.2 0.4 0.0

assign (segid A and resid 70 and name O ) (segid A and resid 74 and name N ) 3.3 1.1 0.0
assign (segid A and resid 70 and name O ) (segid A and resid 74 and name HN ) 2.2 0.4 0.0

assign (segid A and resid 71 and name O ) (segid A and resid 75 and name N ) 3.3 1.1 0.0
assign (segid A and resid 71 and name O ) (segid A and resid 75 and name HN ) 2.2 0.4 0.0

assign (segid A and resid 72 and name O ) (segid A and resid 76 and name N ) 3.3 1.1 0.0
assign (segid A and resid 72 and name O ) (segid A and resid 76 and name HN ) 2.2 0.4 0.0

assign (segid A and resid 73 and name O ) (segid A and resid 77 and name N ) 3.3 1.1 0.0
assign (segid A and resid 73 and name O ) (segid A and resid 77 and name HN ) 2.2 0.4 0.0

assign (segid A and resid 74 and name O ) (segid A and resid 78 and name N ) 3.3 1.1 0.0
assign (segid A and resid 74 and name O ) (segid A and resid 78 and name HN ) 2.2 0.4 0.0
!phi: 4 - 5 	
assign (segid A and resid 4 and name c  ) (segid A and resid 5 and name n ) 	
       (segid A and resid 5 and name ca ) (segid A and resid 5 and name c ) 1 -63.43 11.26 2 	
	
!psi: 4 - 5 	
assign (segid A and resid 4 and name n ) (segid A and resid 4 and name ca ) 	
       (segid A and resid 4 and name c ) (segid A and resid 5 and name n  ) 1 -40.88 17.0 2 	
	
!phi: 5 - 6 	
assign (segid A and resid 5 and name c  ) (segid A and resid 6 and name n ) 	
       (segid A and resid 6 and name ca ) (segid A and resid 6 and name c ) 1 -64.28 11.3 2 	
	
!psi: 5 - 6 	
assign (segid A and resid 5 and name n ) (segid A and resid 5 and name ca ) 	
       (segid A and resid 5 and name c ) (segid A and resid 6 and name n  ) 1 -41.46 15.28 2 	
	
!phi: 6 - 7 	
assign (segid A and resid 6 and name c  ) (segid A and resid 7 and name n ) 	
       (segid A and resid 7 and name ca ) (segid A and resid 7 and name c ) 1 -62.47 5.34 2 	
	
!psi: 6 - 7 	
assign (segid A and resid 6 and name n ) (segid A and resid 6 and name ca ) 	
       (segid A and resid 6 and name c ) (segid A and resid 7 and name n  ) 1 -39.12 8.34 2 	
	
!phi: 7 - 8 	
assign (segid A and resid 7 and name c  ) (segid A and resid 8 and name n ) 	
       (segid A and resid 8 and name ca ) (segid A and resid 8 and name c ) 1 -64.65 14.4 2 	
	
!psi: 7 - 8 	
assign (segid A and resid 7 and name n ) (segid A and resid 7 and name ca ) 	
       (segid A and resid 7 and name c ) (segid A and resid 8 and name n  ) 1 -40.46 14.12 2 	
	
!phi: 8 - 9 	
assign (segid A and resid 8 and name c  ) (segid A and resid 9 and name n ) 	
       (segid A and resid 9 and name ca ) (segid A and resid 9 and name c ) 1 -64.88 4.68 2 	
	
!psi: 8 - 9 	
assign (segid A and resid 8 and name n ) (segid A and resid 8 and name ca ) 	
       (segid A and resid 8 and name c ) (segid A and resid 9 and name n  ) 1 -40.07 9.56 2 	
	
!phi: 9 - 10 	
assign (segid A and resid 9 and name c  ) (segid A and resid 10 and name n ) 	
       (segid A and resid 10 and name ca ) (segid A and resid 10 and name c ) 1 -62.35 8.92 2 	
	
!psi: 9 - 10 	
assign (segid A and resid 9 and name n ) (segid A and resid 9 and name ca ) 	
       (segid A and resid 9 and name c ) (segid A and resid 10 and name n  ) 1 -43.08 10.66 2 	
	
!phi: 10 - 11 	
assign (segid A and resid 10 and name c  ) (segid A and resid 11 and name n ) 	
       (segid A and resid 11 and name ca ) (segid A and resid 11 and name c ) 1 -64.17 11.06 2 	
	
!psi: 10 - 11 	
assign (segid A and resid 10 and name n ) (segid A and resid 10 and name ca ) 	
       (segid A and resid 10 and name c ) (segid A and resid 11 and name n  ) 1 -40.99 11.08 2 	
	
!phi: 11 - 12 	
assign (segid A and resid 11 and name c  ) (segid A and resid 12 and name n ) 	
       (segid A and resid 12 and name ca ) (segid A and resid 12 and name c ) 1 -65.06 7.74 2 	
	
!psi: 11 - 12 	
assign (segid A and resid 11 and name n ) (segid A and resid 11 and name ca ) 	
       (segid A and resid 11 and name c ) (segid A and resid 12 and name n  ) 1 -44.2 8.98 2 	
	
!phi: 12 - 13 	
assign (segid A and resid 12 and name c  ) (segid A and resid 13 and name n ) 	
       (segid A and resid 13 and name ca ) (segid A and resid 13 and name c ) 1 -64.47 11.78 2 	
	
!psi: 12 - 13 	
assign (segid A and resid 12 and name n ) (segid A and resid 12 and name ca ) 	
       (segid A and resid 12 and name c ) (segid A and resid 13 and name n  ) 1 -40.62 18.18 2 	
	
!phi: 13 - 14 	
assign (segid A and resid 13 and name c  ) (segid A and resid 14 and name n ) 	
       (segid A and resid 14 and name ca ) (segid A and resid 14 and name c ) 1 -65.64 7.72 2 	
	
!psi: 13 - 14 	
assign (segid A and resid 13 and name n ) (segid A and resid 13 and name ca ) 	
       (segid A and resid 13 and name c ) (segid A and resid 14 and name n  ) 1 -44.31 7.3 2 	
	
!phi: 14 - 15 	
assign (segid A and resid 14 and name c  ) (segid A and resid 15 and name n ) 	
       (segid A and resid 15 and name ca ) (segid A and resid 15 and name c ) 1 -59.74 9.04 2 	
	
!psi: 14 - 15 	
assign (segid A and resid 14 and name n ) (segid A and resid 14 and name ca ) 	
       (segid A and resid 14 and name c ) (segid A and resid 15 and name n  ) 1 -37.36 21.92 2 	
	
!phi: 15 - 16 	
assign (segid A and resid 15 and name c  ) (segid A and resid 16 and name n ) 	
       (segid A and resid 16 and name ca ) (segid A and resid 16 and name c ) 1 -78.56 35.44 2 	
	
!psi: 15 - 16 	
assign (segid A and resid 15 and name n ) (segid A and resid 15 and name ca ) 	
       (segid A and resid 15 and name c ) (segid A and resid 16 and name n  ) 1 -32.19 18.6 2 	
	
!phi: 18 - 19 	
assign (segid A and resid 18 and name c  ) (segid A and resid 19 and name n ) 	
       (segid A and resid 19 and name ca ) (segid A and resid 19 and name c ) 1 -73.37 38.34 2 	
	
!psi: 18 - 19 	
assign (segid A and resid 18 and name n ) (segid A and resid 18 and name ca ) 	
       (segid A and resid 18 and name c ) (segid A and resid 19 and name n  ) 1 -31.27 32.34 2 	
	
!phi: 20 - 21 	
assign (segid A and resid 20 and name c  ) (segid A and resid 21 and name n ) 	
       (segid A and resid 21 and name ca ) (segid A and resid 21 and name c ) 1 -57.36 9.6 2 	
	
!psi: 20 - 21 	
assign (segid A and resid 20 and name n ) (segid A and resid 20 and name ca ) 	
       (segid A and resid 20 and name c ) (segid A and resid 21 and name n  ) 1 -40.03 21.74 2 	
	
!phi: 21 - 22 	
assign (segid A and resid 21 and name c  ) (segid A and resid 22 and name n ) 	
       (segid A and resid 22 and name ca ) (segid A and resid 22 and name c ) 1 -59.38 8.56 2 	
	
!psi: 21 - 22 	
assign (segid A and resid 21 and name n ) (segid A and resid 21 and name ca ) 	
       (segid A and resid 21 and name c ) (segid A and resid 22 and name n  ) 1 -44.05 13.5 2 	
	
!phi: 22 - 23 	
assign (segid A and resid 22 and name c  ) (segid A and resid 23 and name n ) 	
       (segid A and resid 23 and name ca ) (segid A and resid 23 and name c ) 1 -65.08 6.78 2 	
	
!psi: 22 - 23 	
assign (segid A and resid 22 and name n ) (segid A and resid 22 and name ca ) 	
       (segid A and resid 22 and name c ) (segid A and resid 23 and name n  ) 1 -42.32 8.32 2 	
	
!phi: 23 - 24 	
assign (segid A and resid 23 and name c  ) (segid A and resid 24 and name n ) 	
       (segid A and resid 24 and name ca ) (segid A and resid 24 and name c ) 1 -62.7 10.08 2 	
	
!psi: 23 - 24 	
assign (segid A and resid 23 and name n ) (segid A and resid 23 and name ca ) 	
       (segid A and resid 23 and name c ) (segid A and resid 24 and name n  ) 1 -42.52 14.04 2 	
	
!phi: 24 - 25 	
assign (segid A and resid 24 and name c  ) (segid A and resid 25 and name n ) 	
       (segid A and resid 25 and name ca ) (segid A and resid 25 and name c ) 1 -66.68 13.9 2 	
	
!psi: 24 - 25 	
assign (segid A and resid 24 and name n ) (segid A and resid 24 and name ca ) 	
       (segid A and resid 24 and name c ) (segid A and resid 25 and name n  ) 1 -41.16 12.44 2 	
	
!phi: 25 - 26 	
assign (segid A and resid 25 and name c  ) (segid A and resid 26 and name n ) 	
       (segid A and resid 26 and name ca ) (segid A and resid 26 and name c ) 1 -63.92 23.02 2 	
	
!psi: 25 - 26 	
assign (segid A and resid 25 and name n ) (segid A and resid 25 and name ca ) 	
       (segid A and resid 25 and name c ) (segid A and resid 26 and name n  ) 1 -42.44 14.82 2 	
	
!phi: 26 - 27 	
assign (segid A and resid 26 and name c  ) (segid A and resid 27 and name n ) 	
       (segid A and resid 27 and name ca ) (segid A and resid 27 and name c ) 1 -60.51 11.72 2 	
	
!psi: 26 - 27 	
assign (segid A and resid 26 and name n ) (segid A and resid 26 and name ca ) 	
       (segid A and resid 26 and name c ) (segid A and resid 27 and name n  ) 1 -45.73 17.16 2 	
	
!phi: 27 - 28 	
assign (segid A and resid 27 and name c  ) (segid A and resid 28 and name n ) 	
       (segid A and resid 28 and name ca ) (segid A and resid 28 and name c ) 1 -62.36 7.86 2 	
	
!psi: 27 - 28 	
assign (segid A and resid 27 and name n ) (segid A and resid 27 and name ca ) 	
       (segid A and resid 27 and name c ) (segid A and resid 28 and name n  ) 1 -39.75 7.6 2 	
	
!phi: 28 - 29 	
assign (segid A and resid 28 and name c  ) (segid A and resid 29 and name n ) 	
       (segid A and resid 29 and name ca ) (segid A and resid 29 and name c ) 1 -68.43 17.62 2 	
	
!psi: 28 - 29 	
assign (segid A and resid 28 and name n ) (segid A and resid 28 and name ca ) 	
       (segid A and resid 28 and name c ) (segid A and resid 29 and name n  ) 1 -37.9 17.64 2 	
	
!phi: 29 - 30 	
assign (segid A and resid 29 and name c  ) (segid A and resid 30 and name n ) 	
       (segid A and resid 30 and name ca ) (segid A and resid 30 and name c ) 1 -65.62 9.08 2 	
	
!psi: 29 - 30 	
assign (segid A and resid 29 and name n ) (segid A and resid 29 and name ca ) 	
       (segid A and resid 29 and name c ) (segid A and resid 30 and name n  ) 1 -43.2 11.26 2 	
	
!phi: 30 - 31 	
assign (segid A and resid 30 and name c  ) (segid A and resid 31 and name n ) 	
       (segid A and resid 31 and name ca ) (segid A and resid 31 and name c ) 1 -67.65 27.22 2 	
	
!psi: 30 - 31 	
assign (segid A and resid 30 and name n ) (segid A and resid 30 and name ca ) 	
       (segid A and resid 30 and name c ) (segid A and resid 31 and name n  ) 1 -35.86 23.24 2 	
	
!phi: 32 - 33 	
assign (segid A and resid 32 and name c  ) (segid A and resid 33 and name n ) 	
       (segid A and resid 33 and name ca ) (segid A and resid 33 and name c ) 1 -60.82 10.28 2 	
	
!psi: 32 - 33 	
assign (segid A and resid 32 and name n ) (segid A and resid 32 and name ca ) 	
       (segid A and resid 32 and name c ) (segid A and resid 33 and name n  ) 1 -36.26 18.18 2 	
	
!phi: 33 - 34 	
assign (segid A and resid 33 and name c  ) (segid A and resid 34 and name n ) 	
       (segid A and resid 34 and name ca ) (segid A and resid 34 and name c ) 1 -68.45 14.38 2 	
	
!psi: 33 - 34 	
assign (segid A and resid 33 and name n ) (segid A and resid 33 and name ca ) 	
       (segid A and resid 33 and name c ) (segid A and resid 34 and name n  ) 1 -40.91 14.7 2 	
	
!phi: 34 - 35 	
assign (segid A and resid 34 and name c  ) (segid A and resid 35 and name n ) 	
       (segid A and resid 35 and name ca ) (segid A and resid 35 and name c ) 1 -62.69 11.98 2 	
	
!psi: 34 - 35 	
assign (segid A and resid 34 and name n ) (segid A and resid 34 and name ca ) 	
       (segid A and resid 34 and name c ) (segid A and resid 35 and name n  ) 1 -41.71 13.44 2 	
	
!phi: 35 - 36 	
assign (segid A and resid 35 and name c  ) (segid A and resid 36 and name n ) 	
       (segid A and resid 36 and name ca ) (segid A and resid 36 and name c ) 1 -64.94 13.72 2 	
	
!psi: 35 - 36 	
assign (segid A and resid 35 and name n ) (segid A and resid 35 and name ca ) 	
       (segid A and resid 35 and name c ) (segid A and resid 36 and name n  ) 1 -32.35 22.9 2 	
	
!phi: 39 - 40 	
assign (segid A and resid 39 and name c  ) (segid A and resid 40 and name n ) 	
       (segid A and resid 40 and name ca ) (segid A and resid 40 and name c ) 1 -64.46 35.96 2 	
	
!psi: 39 - 40 	
assign (segid A and resid 39 and name n ) (segid A and resid 39 and name ca ) 	
       (segid A and resid 39 and name c ) (segid A and resid 40 and name n  ) 1 -28.73 39.66 2 	
	
!phi: 40 - 41 	
assign (segid A and resid 40 and name c  ) (segid A and resid 41 and name n ) 	
       (segid A and resid 41 and name ca ) (segid A and resid 41 and name c ) 1 -63.49 9.94 2 	
	
!psi: 40 - 41 	
assign (segid A and resid 40 and name n ) (segid A and resid 40 and name ca ) 	
       (segid A and resid 40 and name c ) (segid A and resid 41 and name n  ) 1 -37.8 14.74 2 	
	
!phi: 41 - 42 	
assign (segid A and resid 41 and name c  ) (segid A and resid 42 and name n ) 	
       (segid A and resid 42 and name ca ) (segid A and resid 42 and name c ) 1 -67.48 9.26 2 	
	
!psi: 41 - 42 	
assign (segid A and resid 41 and name n ) (segid A and resid 41 and name ca ) 	
       (segid A and resid 41 and name c ) (segid A and resid 42 and name n  ) 1 -44.37 7.94 2 	
	
!phi: 42 - 43 	
assign (segid A and resid 42 and name c  ) (segid A and resid 43 and name n ) 	
       (segid A and resid 43 and name ca ) (segid A and resid 43 and name c ) 1 -61.51 8.54 2 	
	
!psi: 42 - 43 	
assign (segid A and resid 42 and name n ) (segid A and resid 42 and name ca ) 	
       (segid A and resid 42 and name c ) (segid A and resid 43 and name n  ) 1 -42.35 9.84 2 	
	
!phi: 43 - 44 	
assign (segid A and resid 43 and name c  ) (segid A and resid 44 and name n ) 	
       (segid A and resid 44 and name ca ) (segid A and resid 44 and name c ) 1 -66.12 13.64 2 	
	
!psi: 43 - 44 	
assign (segid A and resid 43 and name n ) (segid A and resid 43 and name ca ) 	
       (segid A and resid 43 and name c ) (segid A and resid 44 and name n  ) 1 -47.93 8.32 2 	
	
!phi: 44 - 45 	
assign (segid A and resid 44 and name c  ) (segid A and resid 45 and name n ) 	
       (segid A and resid 45 and name ca ) (segid A and resid 45 and name c ) 1 -63.28 9.76 2 	
	
!psi: 44 - 45 	
assign (segid A and resid 44 and name n ) (segid A and resid 44 and name ca ) 	
       (segid A and resid 44 and name c ) (segid A and resid 45 and name n  ) 1 -43.04 18.28 2 	
	
!phi: 45 - 46 	
assign (segid A and resid 45 and name c  ) (segid A and resid 46 and name n ) 	
       (segid A and resid 46 and name ca ) (segid A and resid 46 and name c ) 1 -64.89 14.36 2 	
	
!psi: 45 - 46 	
assign (segid A and resid 45 and name n ) (segid A and resid 45 and name ca ) 	
       (segid A and resid 45 and name c ) (segid A and resid 46 and name n  ) 1 -42.49 15.98 2 	
	
!phi: 46 - 47 	
assign (segid A and resid 46 and name c  ) (segid A and resid 47 and name n ) 	
       (segid A and resid 47 and name ca ) (segid A and resid 47 and name c ) 1 -63.4 10.6 2 	
	
!psi: 46 - 47 	
assign (segid A and resid 46 and name n ) (segid A and resid 46 and name ca ) 	
       (segid A and resid 46 and name c ) (segid A and resid 47 and name n  ) 1 -40.42 19.94 2 	
	
!phi: 47 - 48 	
assign (segid A and resid 47 and name c  ) (segid A and resid 48 and name n ) 	
       (segid A and resid 48 and name ca ) (segid A and resid 48 and name c ) 1 -64.63 14.54 2 	
	
!psi: 47 - 48 	
assign (segid A and resid 47 and name n ) (segid A and resid 47 and name ca ) 	
       (segid A and resid 47 and name c ) (segid A and resid 48 and name n  ) 1 -42.01 10.66 2 	
	
!phi: 48 - 49 	
assign (segid A and resid 48 and name c  ) (segid A and resid 49 and name n ) 	
       (segid A and resid 49 and name ca ) (segid A and resid 49 and name c ) 1 -75.37 24.86 2 	
	
!psi: 48 - 49 	
assign (segid A and resid 48 and name n ) (segid A and resid 48 and name ca ) 	
       (segid A and resid 48 and name c ) (segid A and resid 49 and name n  ) 1 -28.5 24.48 2 	
	
!phi: 53 - 54 	
assign (segid A and resid 53 and name c  ) (segid A and resid 54 and name n ) 	
       (segid A and resid 54 and name ca ) (segid A and resid 54 and name c ) 1 -57.1 10.48 2 	
	
!psi: 53 - 54 	
assign (segid A and resid 53 and name n ) (segid A and resid 53 and name ca ) 	
       (segid A and resid 53 and name c ) (segid A and resid 54 and name n  ) 1 -35.89 16.42 2 	
	
!phi: 54 - 55 	
assign (segid A and resid 54 and name c  ) (segid A and resid 55 and name n ) 	
       (segid A and resid 55 and name ca ) (segid A and resid 55 and name c ) 1 -68.41 23.58 2 	
	
!psi: 54 - 55 	
assign (segid A and resid 54 and name n ) (segid A and resid 54 and name ca ) 	
       (segid A and resid 54 and name c ) (segid A and resid 55 and name n  ) 1 -32.67 27.42 2 	
	
!phi: 55 - 56 	
assign (segid A and resid 55 and name c  ) (segid A and resid 56 and name n ) 	
       (segid A and resid 56 and name ca ) (segid A and resid 56 and name c ) 1 -80.36 38.28 2 	
	
!psi: 55 - 56 	
assign (segid A and resid 55 and name n ) (segid A and resid 55 and name ca ) 	
       (segid A and resid 55 and name c ) (segid A and resid 56 and name n  ) 1 -30.8 44.12 2 	
	
!phi: 56 - 57 	
assign (segid A and resid 56 and name c  ) (segid A and resid 57 and name n ) 	
       (segid A and resid 57 and name ca ) (segid A and resid 57 and name c ) 1 -54.85 24.9 2 	
	
!psi: 56 - 57 	
assign (segid A and resid 56 and name n ) (segid A and resid 56 and name ca ) 	
       (segid A and resid 56 and name c ) (segid A and resid 57 and name n  ) 1 -42.32 17.98 2 	
	
!phi: 57 - 58 	
assign (segid A and resid 57 and name c  ) (segid A and resid 58 and name n ) 	
       (segid A and resid 58 and name ca ) (segid A and resid 58 and name c ) 1 -61.99 8.6 2 	
	
!psi: 57 - 58 	
assign (segid A and resid 57 and name n ) (segid A and resid 57 and name ca ) 	
       (segid A and resid 57 and name c ) (segid A and resid 58 and name n  ) 1 -34.85 16.48 2 	
	
!phi: 58 - 59 	
assign (segid A and resid 58 and name c  ) (segid A and resid 59 and name n ) 	
       (segid A and resid 59 and name ca ) (segid A and resid 59 and name c ) 1 -62.36 12.1 2 	
	
!psi: 58 - 59 	
assign (segid A and resid 58 and name n ) (segid A and resid 58 and name ca ) 	
       (segid A and resid 58 and name c ) (segid A and resid 59 and name n  ) 1 -40.46 11.94 2 	
	
!phi: 59 - 60 	
assign (segid A and resid 59 and name c  ) (segid A and resid 60 and name n ) 	
       (segid A and resid 60 and name ca ) (segid A and resid 60 and name c ) 1 -63.63 9.76 2 	
	
!psi: 59 - 60 	
assign (segid A and resid 59 and name n ) (segid A and resid 59 and name ca ) 	
       (segid A and resid 59 and name c ) (segid A and resid 60 and name n  ) 1 -40.88 10.48 2 	
	
!phi: 60 - 61 	
assign (segid A and resid 60 and name c  ) (segid A and resid 61 and name n ) 	
       (segid A and resid 61 and name ca ) (segid A and resid 61 and name c ) 1 -65.51 5.66 2 	
	
!psi: 60 - 61 	
assign (segid A and resid 60 and name n ) (segid A and resid 60 and name ca ) 	
       (segid A and resid 60 and name c ) (segid A and resid 61 and name n  ) 1 -38.45 29.9 2 	
	
!phi: 61 - 62 	
assign (segid A and resid 61 and name c  ) (segid A and resid 62 and name n ) 	
       (segid A and resid 62 and name ca ) (segid A and resid 62 and name c ) 1 -65.6 8.78 2 	
	
!psi: 61 - 62 	
assign (segid A and resid 61 and name n ) (segid A and resid 61 and name ca ) 	
       (segid A and resid 61 and name c ) (segid A and resid 62 and name n  ) 1 -37.33 24.56 2 	
	
!phi: 62 - 63 	
assign (segid A and resid 62 and name c  ) (segid A and resid 63 and name n ) 	
       (segid A and resid 63 and name ca ) (segid A and resid 63 and name c ) 1 -64.91 7.42 2 	
	
!psi: 62 - 63 	
assign (segid A and resid 62 and name n ) (segid A and resid 62 and name ca ) 	
       (segid A and resid 62 and name c ) (segid A and resid 63 and name n  ) 1 -43.54 12.88 2 	
	
!phi: 63 - 64 	
assign (segid A and resid 63 and name c  ) (segid A and resid 64 and name n ) 	
       (segid A and resid 64 and name ca ) (segid A and resid 64 and name c ) 1 -57.95 22.44 2 	
	
!psi: 63 - 64 	
assign (segid A and resid 63 and name n ) (segid A and resid 63 and name ca ) 	
       (segid A and resid 63 and name c ) (segid A and resid 64 and name n  ) 1 -43.22 16.26 2 	
	
!phi: 64 - 65 	
assign (segid A and resid 64 and name c  ) (segid A and resid 65 and name n ) 	
       (segid A and resid 65 and name ca ) (segid A and resid 65 and name c ) 1 -58.68 6.8 2 	
	
!psi: 64 - 65 	
assign (segid A and resid 64 and name n ) (segid A and resid 64 and name ca ) 	
       (segid A and resid 64 and name c ) (segid A and resid 65 and name n  ) 1 -31.99 20.4 2 	
	
!phi: 67 - 68 	
assign (segid A and resid 67 and name c  ) (segid A and resid 68 and name n ) 	
       (segid A and resid 68 and name ca ) (segid A and resid 68 and name c ) 1 -59.13 8.7 2 	
	
!psi: 67 - 68 	
assign (segid A and resid 67 and name n ) (segid A and resid 67 and name ca ) 	
       (segid A and resid 67 and name c ) (segid A and resid 68 and name n  ) 1 141.21 16.06 2 	
	
!phi: 71 - 72 	
assign (segid A and resid 71 and name c  ) (segid A and resid 72 and name n ) 	
       (segid A and resid 72 and name ca ) (segid A and resid 72 and name c ) 1 -59.78 8.02 2 	
	
!psi: 71 - 72 	
assign (segid A and resid 71 and name n ) (segid A and resid 71 and name ca ) 	
       (segid A and resid 71 and name c ) (segid A and resid 72 and name n  ) 1 -37.48 19.22 2 	
	
!phi: 72 - 73 	
assign (segid A and resid 72 and name c  ) (segid A and resid 73 and name n ) 	
       (segid A and resid 73 and name ca ) (segid A and resid 73 and name c ) 1 -60.67 13.06 2 	
	
!psi: 72 - 73 	
assign (segid A and resid 72 and name n ) (segid A and resid 72 and name ca ) 	
       (segid A and resid 72 and name c ) (segid A and resid 73 and name n  ) 1 -47.79 19.8 2 	
	
!phi: 73 - 74 	
assign (segid A and resid 73 and name c  ) (segid A and resid 74 and name n ) 	
       (segid A and resid 74 and name ca ) (segid A and resid 74 and name c ) 1 -66.33 12.32 2 	
	
!psi: 73 - 74 	
assign (segid A and resid 73 and name n ) (segid A and resid 73 and name ca ) 	
       (segid A and resid 73 and name c ) (segid A and resid 74 and name n  ) 1 -38.14 16.54 2 	
	
!phi: 74 - 75 	
assign (segid A and resid 74 and name c  ) (segid A and resid 75 and name n ) 	
       (segid A and resid 75 and name ca ) (segid A and resid 75 and name c ) 1 -59.31 13.08 2 	
	
!psi: 74 - 75 	
assign (segid A and resid 74 and name n ) (segid A and resid 74 and name ca ) 	
       (segid A and resid 74 and name c ) (segid A and resid 75 and name n  ) 1 -44.28 11.26 2 	
	
!phi: 75 - 76 	
assign (segid A and resid 75 and name c  ) (segid A and resid 76 and name n ) 	
       (segid A and resid 76 and name ca ) (segid A and resid 76 and name c ) 1 -61.24 4.42 2 	
	
!psi: 75 - 76 	
assign (segid A and resid 75 and name n ) (segid A and resid 75 and name ca ) 	
       (segid A and resid 75 and name c ) (segid A and resid 76 and name n  ) 1 -40.71 18.56 2 	
	
!phi: 76 - 77 	
assign (segid A and resid 76 and name c  ) (segid A and resid 77 and name n ) 	
       (segid A and resid 77 and name ca ) (segid A and resid 77 and name c ) 1 -69.63 24.12 2 	
	
!psi: 76 - 77 	
assign (segid A and resid 76 and name n ) (segid A and resid 76 and name ca ) 	
       (segid A and resid 76 and name c ) (segid A and resid 77 and name n  ) 1 -36.68 29.06 2 	
	



  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET   1           1HT      MET   1 -19.038   7.014   9.508
    2    H2   MET   1           2HT      MET   1 -19.114   8.722   9.667
    3    H3   MET   1           3HT      MET   1 -17.610   7.908   9.827
    4    HA   MET   1           HA       MET   1 -19.221   7.834   7.375
    5    HB2  MET   1           2HB      MET   1 -17.709   9.615   6.553
    6    HB3  MET   1           1HB      MET   1 -18.724  10.156   7.883
    7    HG2  MET   1           2HG      MET   1 -16.785   9.699   9.410
    8    HG3  MET   1           1HG      MET   1 -15.807   9.449   7.966
    9    HE1  MET   1           2HE      MET   1 -14.208  10.810   8.056
   10    HE2  MET   1           3HE      MET   1 -14.239  12.180   9.167
   11    HE3  MET   1           1HE      MET   1 -14.277  12.456   7.425
   12    H    ASP   2           H        ASP   2 -18.445   6.336   6.046
   13    HA   ASP   2           HA       ASP   2 -16.106   4.836   6.694
   14    HB2  ASP   2           2HB      ASP   2 -16.585   3.673   4.518
   15    HB3  ASP   2           1HB      ASP   2 -17.936   3.687   5.648
   16    H    ARG   3           H        ARG   3 -14.686   4.294   4.559
   17    HA   ARG   3           HA       ARG   3 -13.511   6.880   3.808
   18    HB2  ARG   3           2HB      ARG   3 -12.360   4.561   4.864
   19    HB3  ARG   3           1HB      ARG   3 -11.877   4.570   3.174
   20    HG2  ARG   3           2HG      ARG   3 -10.209   5.881   3.853
   21    HG3  ARG   3           1HG      ARG   3 -11.422   7.160   3.899
   22    HD2  ARG   3           2HD      ARG   3 -11.462   5.572   6.315
   23    HD3  ARG   3           1HD      ARG   3  -9.863   6.247   6.016
   24    HE   ARG   3           HE       ARG   3 -11.980   8.163   5.727
   25   HH11  ARG   3          1HH1      ARG   3  -9.837   6.603   7.998
   26   HH12  ARG   3          2HH1      ARG   3  -9.918   7.891   9.152
   27   HH21  ARG   3          1HH2      ARG   3 -12.089   9.858   7.245
   28   HH22  ARG   3          2HH2      ARG   3 -11.197   9.739   8.725
   29    H    LYS   4           H        LYS   4 -15.027   4.044   2.550
   30    HA   LYS   4           HA       LYS   4 -15.864   3.608   0.472
   31    HB2  LYS   4           2HB      LYS   4 -15.944   6.192   0.335
   32    HB3  LYS   4           1HB      LYS   4 -14.491   6.037  -0.643
   33    HG2  LYS   4           2HG      LYS   4 -16.670   4.277  -1.475
   34    HG3  LYS   4           1HG      LYS   4 -17.045   5.998  -1.590
   35    HD2  LYS   4           2HD      LYS   4 -14.488   4.860  -2.681
   36    HD3  LYS   4           1HD      LYS   4 -15.978   4.875  -3.629
   37    HE2  LYS   4           2HE      LYS   4 -15.267   6.900  -4.293
   38    HE3  LYS   4           1HE      LYS   4 -15.900   7.436  -2.737
   39    HZ1  LYS   4           3HZ      LYS   4 -13.796   7.507  -1.813
   40    HZ2  LYS   4           1HZ      LYS   4 -13.516   8.073  -3.383
   41    HZ3  LYS   4           2HZ      LYS   4 -13.120   6.480  -2.973
   42    H    VAL   5           H        VAL   5 -12.632   5.089   0.085
   43    HA   VAL   5           HA       VAL   5 -11.773   3.493  -2.023
   44    HB   VAL   5           HB       VAL   5  -9.946   4.517   0.148
   45   HG11  VAL   5          1HG1      VAL   5  -9.607   3.420  -2.547
   46   HG12  VAL   5          2HG1      VAL   5  -8.467   3.511  -1.204
   47   HG13  VAL   5          3HG1      VAL   5  -8.714   4.911  -2.247
   48   HG21  VAL   5          3HG2      VAL   5 -11.560   5.988  -1.837
   49   HG22  VAL   5          1HG2      VAL   5  -9.868   6.467  -1.704
   50   HG23  VAL   5          2HG2      VAL   5 -10.913   6.515  -0.285
   51    H    ALA   6           H        ALA   6 -12.041   2.767   1.360
   52    HA   ALA   6           HA       ALA   6 -10.224   0.709   1.681
   53    HB1  ALA   6           1HB      ALA   6 -12.092  -0.208   3.277
   54    HB2  ALA   6           2HB      ALA   6 -12.855   1.342   2.921
   55    HB3  ALA   6           3HB      ALA   6 -11.248   1.296   3.647
   56    H    ARG   7           H        ARG   7 -13.551   0.514   0.480
   57    HA   ARG   7           HA       ARG   7 -13.616  -2.266   0.099
   58    HB2  ARG   7           2HB      ARG   7 -15.519  -0.466   0.006
   59    HB3  ARG   7           1HB      ARG   7 -15.122  -0.416  -1.708
   60    HG2  ARG   7           2HG      ARG   7 -15.901  -2.532  -2.094
   61    HG3  ARG   7           1HG      ARG   7 -15.612  -3.059  -0.435
   62    HD2  ARG   7           2HD      ARG   7 -17.620  -2.327   0.288
   63    HD3  ARG   7           1HD      ARG   7 -17.593  -0.906  -0.755
   64    HE   ARG   7           HE       ARG   7 -18.734  -2.088  -2.351
   65   HH11  ARG   7          1HH1      ARG   7 -17.509  -4.306   0.049
   66   HH12  ARG   7          2HH1      ARG   7 -18.389  -5.661  -0.571
   67   HH21  ARG   7          1HH2      ARG   7 -19.893  -3.870  -3.169
   68   HH22  ARG   7          2HH2      ARG   7 -19.744  -5.415  -2.398
   69    H    GLU   8           H        GLU   8 -13.050   0.327  -2.254
   70    HA   GLU   8           HA       GLU   8 -12.463  -1.305  -4.443
   71    HB2  GLU   8           2HB      GLU   8 -12.094   1.526  -3.735
   72    HB3  GLU   8           1HB      GLU   8 -10.927   0.916  -4.900
   73    HG2  GLU   8           2HG      GLU   8 -12.621   0.331  -6.436
   74    HG3  GLU   8           1HG      GLU   8 -13.888   0.561  -5.232
   75    H    PHE   9           H        PHE   9 -10.484  -0.222  -1.773
   76    HA   PHE   9           HA       PHE   9  -7.951  -0.835  -2.812
   77    HB2  PHE   9           2HB      PHE   9  -8.270   0.488  -0.768
   78    HB3  PHE   9           1HB      PHE   9  -8.905  -0.930   0.060
   79    HD1  PHE   9           1HD      PHE   9  -7.343  -2.961   0.256
   80    HD2  PHE   9           2HD      PHE   9  -6.004   0.964  -0.702
   81    HE1  PHE   9           1HE      PHE   9  -5.066  -3.568   0.965
   82    HE2  PHE   9           2HE      PHE   9  -3.726   0.363   0.004
   83    HZ   PHE   9           HZ       PHE   9  -3.254  -1.905   0.839
   84    H    ARG  10           H        ARG  10 -10.189  -2.790  -0.862
   85    HA   ARG  10           HA       ARG  10  -8.601  -5.090  -0.692
   86    HB2  ARG  10           2HB      ARG  10 -10.893  -4.411   0.447
   87    HB3  ARG  10           1HB      ARG  10 -11.571  -5.337  -0.884
   88    HG2  ARG  10           2HG      ARG  10  -9.441  -6.828   0.298
   89    HG3  ARG  10           1HG      ARG  10 -10.549  -6.287   1.561
   90    HD2  ARG  10           2HD      ARG  10 -12.260  -7.129  -0.411
   91    HD3  ARG  10           1HD      ARG  10 -10.925  -8.272  -0.552
   92    HE   ARG  10           HE       ARG  10 -12.826  -8.081   1.593
   93   HH11  ARG  10          1HH1      ARG  10  -9.620  -9.136   0.701
   94   HH12  ARG  10          2HH1      ARG  10  -9.519 -10.311   1.969
   95   HH21  ARG  10          1HH2      ARG  10 -12.694  -9.626   3.262
   96   HH22  ARG  10          2HH2      ARG  10 -11.265 -10.589   3.423
   97    H    HIS  11           H        HIS  11 -11.049  -4.136  -3.074
   98    HA   HIS  11           HA       HIS  11 -10.935  -6.514  -4.597
   99    HB2  HIS  11           2HB      HIS  11 -12.046  -3.790  -4.957
  100    HB3  HIS  11           1HB      HIS  11 -11.742  -4.706  -6.430
  101    HD1  HIS  11           1HD      HIS  11 -13.225  -6.760  -6.877
  102    HD2  HIS  11           2HD      HIS  11 -14.111  -4.785  -3.331
  103    HE1  HIS  11           1HE      HIS  11 -15.427  -7.705  -6.115
  104    HE2  HIS  11           2HE      HIS  11 -15.904  -6.553  -3.926
  105    H    LYS  12           H        LYS  12  -9.318  -3.375  -4.981
  106    HA   LYS  12           HA       LYS  12  -7.964  -3.895  -7.354
  107    HB2  LYS  12           2HB      LYS  12  -8.090  -1.809  -5.543
  108    HB3  LYS  12           1HB      LYS  12  -6.410  -2.316  -5.451
  109    HG2  LYS  12           2HG      LYS  12  -6.814  -2.258  -8.139
  110    HG3  LYS  12           1HG      LYS  12  -7.853  -0.941  -7.589
  111    HD2  LYS  12           2HD      LYS  12  -5.812  -0.197  -6.203
  112    HD3  LYS  12           1HD      LYS  12  -4.888  -1.266  -7.260
  113    HE2  LYS  12           2HE      LYS  12  -6.515   1.146  -8.029
  114    HE3  LYS  12           1HE      LYS  12  -4.775   0.915  -8.200
  115    HZ1  LYS  12           3HZ      LYS  12  -5.688  -1.132  -9.631
  116    HZ2  LYS  12           1HZ      LYS  12  -5.359   0.391 -10.294
  117    HZ3  LYS  12           2HZ      LYS  12  -6.946  -0.030  -9.882
  118    H    VAL  13           H        VAL  13  -6.647  -4.120  -4.046
  119    HA   VAL  13           HA       VAL  13  -4.184  -5.204  -4.655
  120    HB   VAL  13           HB       VAL  13  -5.804  -5.950  -2.223
  121   HG11  VAL  13          1HG1      VAL  13  -3.799  -6.473  -1.178
  122   HG12  VAL  13          2HG1      VAL  13  -2.839  -5.546  -2.332
  123   HG13  VAL  13          3HG1      VAL  13  -3.556  -7.084  -2.814
  124   HG21  VAL  13          3HG2      VAL  13  -5.718  -3.850  -1.502
  125   HG22  VAL  13          1HG2      VAL  13  -5.081  -3.368  -3.074
  126   HG23  VAL  13          2HG2      VAL  13  -3.977  -3.789  -1.768
  127    H    ASP  14           H        ASP  14  -7.228  -6.925  -4.032
  128    HA   ASP  14           HA       ASP  14  -6.197  -9.528  -4.169
  129    HB2  ASP  14           2HB      ASP  14  -8.943  -8.391  -4.656
  130    HB3  ASP  14           1HB      ASP  14  -8.615 -10.114  -4.813
  131    H    PHE  15           H        PHE  15  -7.527  -7.422  -6.688
  132    HA   PHE  15           HA       PHE  15  -7.369  -9.345  -8.768
  133    HB2  PHE  15           2HB      PHE  15  -8.497  -6.861  -8.503
  134    HB3  PHE  15           1HB      PHE  15  -7.148  -6.533  -9.585
  135    HD1  PHE  15           2HD      PHE  15  -9.460  -9.441  -9.258
  136    HD2  PHE  15           1HD      PHE  15  -7.941  -6.328 -11.729
  137    HE1  PHE  15           2HE      PHE  15 -10.777 -10.306 -11.149
  138    HE2  PHE  15           1HE      PHE  15  -9.254  -7.185 -13.625
  139    HZ   PHE  15           HZ       PHE  15 -10.674  -9.177 -13.336
  140    H    LEU  16           H        LEU  16  -5.279  -6.588  -7.925
  141    HA   LEU  16           HA       LEU  16  -3.364  -7.070  -9.936
  142    HB2  LEU  16           2HB      LEU  16  -2.811  -5.721  -7.309
  143    HB3  LEU  16           1HB      LEU  16  -2.007  -5.457  -8.844
  144    HG   LEU  16           HG       LEU  16  -4.884  -4.902  -8.921
  145   HD11  LEU  16          1HD1      LEU  16  -3.821  -4.167  -6.569
  146   HD12  LEU  16          2HD1      LEU  16  -5.076  -3.248  -7.401
  147   HD13  LEU  16          3HD1      LEU  16  -3.384  -2.767  -7.548
  148   HD21  LEU  16          3HD2      LEU  16  -4.255  -3.392 -10.472
  149   HD22  LEU  16          1HD2      LEU  16  -2.757  -4.322 -10.472
  150   HD23  LEU  16          2HD2      LEU  16  -2.872  -2.838  -9.528
  151    H    ILE  17           H        ILE  17  -3.275  -7.778  -6.461
  152    HA   ILE  17           HA       ILE  17  -0.837  -9.238  -6.618
  153    HB   ILE  17           HB       ILE  17  -2.893  -9.376  -4.416
  154   HG12  ILE  17          2HG1      ILE  17  -2.246  -7.039  -4.919
  155   HG13  ILE  17          1HG1      ILE  17  -1.682  -7.562  -3.336
  156   HG21  ILE  17          1HG2      ILE  17  -0.648 -10.885  -4.770
  157   HG22  ILE  17          2HG2      ILE  17  -1.403 -10.540  -3.215
  158   HG23  ILE  17          3HG2      ILE  17  -0.045  -9.564  -3.771
  159   HD11  ILE  17          3HD1      ILE  17   0.370  -8.138  -5.179
  160   HD12  ILE  17          1HD1      ILE  17   0.360  -6.934  -3.891
  161   HD13  ILE  17          2HD1      ILE  17  -0.192  -6.499  -5.507
  162    H    GLU  18           H        GLU  18  -4.004 -10.452  -5.568
  163    HA   GLU  18           HA       GLU  18  -5.138 -12.373  -6.050
  164    HB2  GLU  18           2HB      GLU  18  -3.969 -11.826  -8.422
  165    HB3  GLU  18           1HB      GLU  18  -3.207 -13.368  -8.058
  166    HG2  GLU  18           2HG      GLU  18  -6.116 -13.287  -7.669
  167    HG3  GLU  18           1HG      GLU  18  -5.569 -13.088  -9.332
  168    H    ASN  19           H        ASN  19  -2.158 -12.177  -4.729
  169    HA   ASN  19           HA       ASN  19  -1.929 -15.071  -4.300
  170    HB2  ASN  19           2HB      ASN  19   0.067 -12.850  -4.350
  171    HB3  ASN  19           1HB      ASN  19   0.389 -14.248  -3.330
  172   HD21  ASN  19          1HD2      ASN  19   0.167 -13.043  -6.547
  173   HD22  ASN  19          2HD2      ASN  19   0.758 -14.456  -7.347
  174    H    ASP  20           H        ASP  20  -1.648 -15.881  -2.195
  175    HA   ASP  20           HA       ASP  20  -3.022 -14.361  -0.173
  176    HB2  ASP  20           2HB      ASP  20  -3.043 -16.964  -0.674
  177    HB3  ASP  20           1HB      ASP  20  -1.685 -16.955   0.449
  178    H    ALA  21           H        ALA  21   0.225 -15.700  -0.588
  179    HA   ALA  21           HA       ALA  21   1.252 -14.747   1.869
  180    HB1  ALA  21           1HB      ALA  21   2.177 -16.548   0.225
  181    HB2  ALA  21           2HB      ALA  21   3.290 -15.583   1.194
  182    HB3  ALA  21           3HB      ALA  21   3.013 -15.177  -0.500
  183    H    GLU  22           H        GLU  22   1.319 -13.457  -1.419
  184    HA   GLU  22           HA       GLU  22   2.954 -11.239  -0.940
  185    HB2  GLU  22           2HB      GLU  22   0.714 -11.591  -2.936
  186    HB3  GLU  22           1HB      GLU  22   1.867 -10.263  -2.962
  187    HG2  GLU  22           2HG      GLU  22   3.687 -11.968  -3.164
  188    HG3  GLU  22           1HG      GLU  22   2.429 -13.186  -3.371
  189    H    LYS  23           H        LYS  23  -0.552 -11.610  -0.716
  190    HA   LYS  23           HA       LYS  23  -1.215  -8.955  -0.162
  191    HB2  LYS  23           2HB      LYS  23  -2.552 -11.439  -0.245
  192    HB3  LYS  23           1HB      LYS  23  -2.900 -10.750   1.335
  193    HG2  LYS  23           2HG      LYS  23  -3.647  -8.673   0.217
  194    HG3  LYS  23           1HG      LYS  23  -3.392  -9.461  -1.342
  195    HD2  LYS  23           2HD      LYS  23  -5.252 -10.452   0.818
  196    HD3  LYS  23           1HD      LYS  23  -5.751  -9.530  -0.601
  197    HE2  LYS  23           2HE      LYS  23  -5.806 -11.374  -1.840
  198    HE3  LYS  23           1HE      LYS  23  -4.142 -11.765  -1.406
  199    HZ1  LYS  23           3HZ      LYS  23  -4.799 -13.205   0.181
  200    HZ2  LYS  23           1HZ      LYS  23  -6.202 -13.295  -0.762
  201    HZ3  LYS  23           2HZ      LYS  23  -6.168 -12.309   0.611
  202    H    ASP  24           H        ASP  24  -0.246 -11.584   1.996
  203    HA   ASP  24           HA       ASP  24  -0.640 -10.188   4.419
  204    HB2  ASP  24           2HB      ASP  24  -0.057 -12.752   3.824
  205    HB3  ASP  24           1HB      ASP  24   1.546 -12.190   4.293
  206    H    TYR  25           H        TYR  25   2.028 -10.356   2.152
  207    HA   TYR  25           HA       TYR  25   4.014  -9.179   3.756
  208    HB2  TYR  25           2HB      TYR  25   3.893 -10.198   1.195
  209    HB3  TYR  25           1HB      TYR  25   4.172  -8.481   0.915
  210    HD1  TYR  25           1HD      TYR  25   5.423 -10.931   3.455
  211    HD2  TYR  25           2HD      TYR  25   6.392  -8.069   0.459
  212    HE1  TYR  25           1HE      TYR  25   7.813 -11.250   3.933
  213    HE2  TYR  25           2HE      TYR  25   8.785  -8.380   0.928
  214    HH   TYR  25           HH       TYR  25   9.933  -9.955   3.671
  215    H    LEU  26           H        LEU  26   1.690  -7.749   1.484
  216    HA   LEU  26           HA       LEU  26   2.574  -5.081   1.816
  217    HB2  LEU  26           2HB      LEU  26  -0.279  -5.618   1.176
  218    HB3  LEU  26           1HB      LEU  26   0.824  -4.456   0.468
  219    HG   LEU  26           HG       LEU  26   0.613  -7.398  -0.128
  220   HD11  LEU  26          1HD1      LEU  26  -0.706  -5.288  -1.213
  221   HD12  LEU  26          2HD1      LEU  26  -0.360  -6.799  -2.055
  222   HD13  LEU  26          3HD1      LEU  26   0.697  -5.405  -2.274
  223   HD21  LEU  26          3HD2      LEU  26   2.911  -7.170  -0.160
  224   HD22  LEU  26          1HD2      LEU  26   2.842  -5.481  -0.664
  225   HD23  LEU  26          2HD2      LEU  26   2.483  -6.761  -1.821
  226    H    TYR  27           H        TYR  27  -0.055  -6.925   3.291
  227    HA   TYR  27           HA       TYR  27  -1.114  -4.887   4.886
  228    HB2  TYR  27           2HB      TYR  27  -1.114  -7.882   5.080
  229    HB3  TYR  27           1HB      TYR  27  -1.792  -6.916   6.386
  230    HD1  TYR  27           2HD      TYR  27  -1.934  -6.600   2.663
  231    HD2  TYR  27           1HD      TYR  27  -4.096  -7.017   6.303
  232    HE1  TYR  27           2HE      TYR  27  -4.047  -6.415   1.421
  233    HE2  TYR  27           1HE      TYR  27  -6.216  -6.836   5.071
  234    HH   TYR  27           HH       TYR  27  -6.730  -7.387   2.201
  235    H    ASP  28           H        ASP  28   1.645  -6.988   5.350
  236    HA   ASP  28           HA       ASP  28   2.042  -6.407   8.106
  237    HB2  ASP  28           2HB      ASP  28   3.192  -8.123   6.196
  238    HB3  ASP  28           1HB      ASP  28   4.500  -7.079   6.742
  239    H    VAL  29           H        VAL  29   3.351  -5.074   5.101
  240    HA   VAL  29           HA       VAL  29   5.247  -3.344   6.212
  241    HB   VAL  29           HB       VAL  29   3.628  -2.823   3.715
  242   HG11  VAL  29          1HG1      VAL  29   5.350  -1.397   3.027
  243   HG12  VAL  29          2HG1      VAL  29   6.469  -2.015   4.244
  244   HG13  VAL  29          3HG1      VAL  29   5.111  -1.000   4.728
  245   HG21  VAL  29          3HG2      VAL  29   6.273  -4.007   3.380
  246   HG22  VAL  29          1HG2      VAL  29   4.741  -4.416   2.608
  247   HG23  VAL  29          2HG2      VAL  29   5.130  -5.071   4.199
  248    H    LEU  30           H        LEU  30   1.812  -2.845   5.495
  249    HA   LEU  30           HA       LEU  30   1.760  -0.114   6.267
  250    HB2  LEU  30           2HB      LEU  30  -0.349  -2.209   5.854
  251    HB3  LEU  30           1HB      LEU  30  -0.768  -0.631   6.493
  252    HG   LEU  30           HG       LEU  30   0.816  -0.695   3.982
  253   HD11  LEU  30          1HD1      LEU  30  -1.115  -2.450   3.935
  254   HD12  LEU  30          2HD1      LEU  30  -0.889  -1.341   2.582
  255   HD13  LEU  30          3HD1      LEU  30  -2.140  -1.024   3.783
  256   HD21  LEU  30          3HD2      LEU  30  -1.205   1.038   5.314
  257   HD22  LEU  30          1HD2      LEU  30  -1.044   1.113   3.559
  258   HD23  LEU  30          2HD2      LEU  30   0.346   1.463   4.587
  259    H    ARG  31           H        ARG  31   0.957  -3.130   7.949
  260    HA   ARG  31           HA       ARG  31  -0.017  -2.042  10.322
  261    HB2  ARG  31           2HB      ARG  31   0.109  -4.514   9.486
  262    HB3  ARG  31           1HB      ARG  31   1.650  -4.533  10.333
  263    HG2  ARG  31           2HG      ARG  31  -0.934  -3.728  11.641
  264    HG3  ARG  31           1HG      ARG  31  -0.325  -5.384  11.629
  265    HD2  ARG  31           2HD      ARG  31   1.840  -3.845  12.454
  266    HD3  ARG  31           1HD      ARG  31   0.451  -3.141  13.283
  267    HE   ARG  31           HE       ARG  31   1.662  -5.675  13.803
  268   HH11  ARG  31          1HH1      ARG  31  -1.353  -3.922  13.917
  269   HH12  ARG  31          2HH1      ARG  31  -2.026  -4.912  15.167
  270   HH21  ARG  31          1HH2      ARG  31   0.777  -6.979  15.448
  271   HH22  ARG  31          2HH2      ARG  31  -0.816  -6.648  16.037
  272    H    MET  32           H        MET  32   3.277  -2.615   9.252
  273    HA   MET  32           HA       MET  32   4.412  -1.859  11.801
  274    HB2  MET  32           2HB      MET  32   5.455  -2.834   9.193
  275    HB3  MET  32           1HB      MET  32   6.545  -1.873  10.183
  276    HG2  MET  32           2HG      MET  32   5.082  -4.163  11.406
  277    HG3  MET  32           1HG      MET  32   6.499  -4.464  10.401
  278    HE1  MET  32           3HE      MET  32   8.006  -5.556  12.459
  279    HE2  MET  32           1HE      MET  32   6.395  -5.523  13.174
  280    HE3  MET  32           2HE      MET  32   7.778  -4.924  14.089
  281    H    TYR  33           H        TYR  33   3.847  -0.427   8.651
  282    HA   TYR  33           HA       TYR  33   5.441   1.857   8.889
  283    HB2  TYR  33           2HB      TYR  33   4.431   1.214   6.771
  284    HB3  TYR  33           1HB      TYR  33   2.819   1.476   7.426
  285    HD1  TYR  33           2HD      TYR  33   5.984   3.475   7.333
  286    HD2  TYR  33           1HD      TYR  33   1.808   3.340   6.532
  287    HE1  TYR  33           2HE      TYR  33   6.060   5.810   6.567
  288    HE2  TYR  33           1HE      TYR  33   1.872   5.674   5.763
  289    HH   TYR  33           HH       TYR  33   4.443   7.732   6.353
  290    H    HIS  34           H        HIS  34   2.326   1.072  10.245
  291    HA   HIS  34           HA       HIS  34   1.546   3.706  10.947
  292    HB2  HIS  34           2HB      HIS  34   0.050   1.663  10.824
  293    HB3  HIS  34           1HB      HIS  34   0.731   1.170  12.370
  294    HD1  HIS  34           1HD      HIS  34  -2.218   2.524  11.265
  295    HD2  HIS  34           2HD      HIS  34   0.500   3.790  14.141
  296    HE1  HIS  34           1HE      HIS  34  -3.511   4.058  12.783
  297    HE2  HIS  34           2HE      HIS  34  -1.814   4.903  14.443
  298    H    GLN  35           H        GLN  35   2.991   1.078  12.876
  299    HA   GLN  35           HA       GLN  35   3.368   2.750  15.165
  300    HB2  GLN  35           2HB      GLN  35   3.988  -0.051  14.421
  301    HB3  GLN  35           1HB      GLN  35   4.995   0.667  15.673
  302    HG2  GLN  35           2HG      GLN  35   3.342   0.669  17.191
  303    HG3  GLN  35           1HG      GLN  35   2.103   1.070  16.002
  304   HE21  GLN  35          1HE2      GLN  35   2.052  -0.907  18.135
  305   HE22  GLN  35          2HE2      GLN  35   1.757  -2.431  17.375
  306    H    THR  36           H        THR  36   5.424   1.591  12.551
  307    HA   THR  36           HA       THR  36   7.828   2.707  13.623
  308    HB   THR  36           HB       THR  36   8.842   2.102  11.511
  309    HG1  THR  36           1HG      THR  36   7.678   1.613   9.742
  310   HG21  THR  36          3HG2      THR  36   8.759   0.119  12.599
  311   HG22  THR  36          1HG2      THR  36   7.737  -0.278  11.220
  312   HG23  THR  36          2HG2      THR  36   7.004   0.152  12.765
  313    H    MET  37           H        MET  37   5.497   3.711  11.154
  314    HA   MET  37           HA       MET  37   5.082   5.718  10.171
  315    HB2  MET  37           2HB      MET  37   6.371   6.535  12.747
  316    HB3  MET  37           1HB      MET  37   6.028   7.757  11.530
  317    HG2  MET  37           2HG      MET  37   3.823   5.915  12.209
  318    HG3  MET  37           1HG      MET  37   4.310   7.061  13.455
  319    HE1  MET  37           3HE      MET  37   1.469   6.761  11.919
  320    HE2  MET  37           1HE      MET  37   2.183   6.505  10.328
  321    HE3  MET  37           2HE      MET  37   1.187   7.929  10.628
  322    H    ASP  38           H        ASP  38   7.295   4.270   9.238
  323    HA   ASP  38           HA       ASP  38   9.174   6.420   8.509
  324    HB2  ASP  38           2HB      ASP  38   9.850   4.110   9.729
  325    HB3  ASP  38           1HB      ASP  38   9.960   3.599   8.047
  326    H    VAL  39           H        VAL  39   8.396   7.217   6.636
  327    HA   VAL  39           HA       VAL  39   7.059   5.695   4.664
  328    HB   VAL  39           HB       VAL  39   8.484   8.310   4.189
  329   HG11  VAL  39          1HG1      VAL  39   6.319   6.783   2.809
  330   HG12  VAL  39          2HG1      VAL  39   7.745   7.569   2.130
  331   HG13  VAL  39          3HG1      VAL  39   6.378   8.541   2.677
  332   HG21  VAL  39          3HG2      VAL  39   7.105   9.337   5.596
  333   HG22  VAL  39          1HG2      VAL  39   6.406   7.784   6.052
  334   HG23  VAL  39          2HG2      VAL  39   5.717   8.701   4.714
  335    H    ALA  40           H        ALA  40  10.420   6.453   5.223
  336    HA   ALA  40           HA       ALA  40  11.446   5.883   2.672
  337    HB1  ALA  40           1HB      ALA  40  13.562   5.897   3.655
  338    HB2  ALA  40           2HB      ALA  40  12.951   5.303   5.200
  339    HB3  ALA  40           3HB      ALA  40  12.610   6.958   4.692
  340    H    VAL  41           H        VAL  41  11.115   3.794   5.537
  341    HA   VAL  41           HA       VAL  41  12.093   1.460   4.260
  342    HB   VAL  41           HB       VAL  41  10.244   1.556   6.644
  343   HG11  VAL  41          1HG1      VAL  41  11.876  -0.524   5.335
  344   HG12  VAL  41          2HG1      VAL  41  10.386  -0.666   6.268
  345   HG13  VAL  41          3HG1      VAL  41  11.933  -0.485   7.097
  346   HG21  VAL  41          3HG2      VAL  41  12.688   1.287   7.735
  347   HG22  VAL  41          1HG2      VAL  41  11.879   2.841   7.532
  348   HG23  VAL  41          2HG2      VAL  41  13.082   2.311   6.355
  349    H    LEU  42           H        LEU  42   8.885   2.832   4.672
  350    HA   LEU  42           HA       LEU  42   7.358   0.629   3.866
  351    HB2  LEU  42           2HB      LEU  42   6.358   2.582   4.904
  352    HB3  LEU  42           1HB      LEU  42   6.822   3.580   3.538
  353    HG   LEU  42           HG       LEU  42   5.325   1.681   2.292
  354   HD11  LEU  42          1HD1      LEU  42   4.837   0.981   4.813
  355   HD12  LEU  42          2HD1      LEU  42   3.619   0.865   3.542
  356   HD13  LEU  42          3HD1      LEU  42   3.618   2.243   4.643
  357   HD21  LEU  42          3HD2      LEU  42   4.845   4.410   3.316
  358   HD22  LEU  42          1HD2      LEU  42   3.429   3.502   2.787
  359   HD23  LEU  42          2HD2      LEU  42   4.764   3.783   1.670
  360    H    VAL  43           H        VAL  43   8.594   3.356   1.937
  361    HA   VAL  43           HA       VAL  43   7.605   2.475  -0.537
  362    HB   VAL  43           HB       VAL  43  10.108   4.109  -0.105
  363   HG11  VAL  43          1HG1      VAL  43   8.172   4.144  -2.414
  364   HG12  VAL  43          2HG1      VAL  43   9.667   3.209  -2.400
  365   HG13  VAL  43          3HG1      VAL  43   9.727   4.970  -2.297
  366   HG21  VAL  43          3HG2      VAL  43   7.650   4.754   0.886
  367   HG22  VAL  43          1HG2      VAL  43   7.610   5.519  -0.703
  368   HG23  VAL  43          2HG2      VAL  43   8.896   5.919   0.436
  369    H    GLY  44           H        GLY  44  10.668   1.848   1.119
  370    HA2  GLY  44           2HA      GLY  44  12.026   0.572  -0.961
  371    HA3  GLY  44           1HA      GLY  44  12.295   0.274   0.749
  372    H    ASP  45           H        ASP  45  10.327  -1.043   1.730
  373    HA   ASP  45           HA       ASP  45  10.482  -3.620   0.681
  374    HB2  ASP  45           2HB      ASP  45   9.846  -3.015   3.031
  375    HB3  ASP  45           1HB      ASP  45   8.257  -2.554   2.429
  376    H    LEU  46           H        LEU  46   7.887  -1.214   0.388
  377    HA   LEU  46           HA       LEU  46   6.050  -2.742  -1.028
  378    HB2  LEU  46           2HB      LEU  46   6.623   0.184  -0.860
  379    HB3  LEU  46           1HB      LEU  46   5.479  -0.388  -2.058
  380    HG   LEU  46           HG       LEU  46   5.228  -0.980   0.888
  381   HD11  LEU  46          1HD1      LEU  46   3.520   1.006  -0.536
  382   HD12  LEU  46          2HD1      LEU  46   5.098   1.499   0.080
  383   HD13  LEU  46          3HD1      LEU  46   3.882   0.859   1.183
  384   HD21  LEU  46          3HD2      LEU  46   2.939  -0.989  -0.991
  385   HD22  LEU  46          1HD2      LEU  46   3.262  -2.006   0.414
  386   HD23  LEU  46          2HD2      LEU  46   4.089  -2.322  -1.111
  387    H    LYS  47           H        LYS  47   8.980  -1.186  -2.102
  388    HA   LYS  47           HA       LYS  47   8.407  -1.367  -4.897
  389    HB2  LYS  47           2HB      LYS  47  10.544  -0.370  -3.222
  390    HB3  LYS  47           1HB      LYS  47  11.194  -1.286  -4.573
  391    HG2  LYS  47           2HG      LYS  47  10.126   0.131  -6.153
  392    HG3  LYS  47           1HG      LYS  47   9.181   0.926  -4.891
  393    HD2  LYS  47           2HD      LYS  47  11.140   1.945  -3.971
  394    HD3  LYS  47           1HD      LYS  47  12.191   0.998  -5.027
  395    HE2  LYS  47           2HE      LYS  47  10.883   2.139  -6.947
  396    HE3  LYS  47           1HE      LYS  47  10.398   3.297  -5.710
  397    HZ1  LYS  47           3HZ      LYS  47  12.864   3.090  -7.097
  398    HZ2  LYS  47           1HZ      LYS  47  13.124   3.000  -5.427
  399    HZ3  LYS  47           2HZ      LYS  47  12.309   4.328  -6.085
  400    H    LEU  48           H        LEU  48  10.469  -3.227  -2.677
  401    HA   LEU  48           HA       LEU  48  11.479  -5.082  -4.462
  402    HB2  LEU  48           2HB      LEU  48  10.673  -5.737  -1.635
  403    HB3  LEU  48           1HB      LEU  48  11.943  -6.485  -2.584
  404    HG   LEU  48           HG       LEU  48  11.966  -3.648  -1.548
  405   HD11  LEU  48          1HD1      LEU  48  13.977  -5.623  -0.694
  406   HD12  LEU  48          2HD1      LEU  48  12.347  -5.854  -0.067
  407   HD13  LEU  48          3HD1      LEU  48  13.191  -4.333   0.214
  408   HD21  LEU  48          3HD2      LEU  48  13.224  -4.519  -3.777
  409   HD22  LEU  48          1HD2      LEU  48  14.429  -4.903  -2.549
  410   HD23  LEU  48          2HD2      LEU  48  13.843  -3.249  -2.723
  411    H    VAL  49           H        VAL  49   8.353  -5.038  -2.843
  412    HA   VAL  49           HA       VAL  49   7.663  -7.627  -3.982
  413    HB   VAL  49           HB       VAL  49   7.068  -6.765  -1.595
  414   HG11  VAL  49          1HG1      VAL  49   4.740  -5.667  -3.153
  415   HG12  VAL  49          2HG1      VAL  49   5.942  -4.719  -2.277
  416   HG13  VAL  49          3HG1      VAL  49   4.851  -5.788  -1.398
  417   HG21  VAL  49          3HG2      VAL  49   6.412  -8.923  -2.198
  418   HG22  VAL  49          1HG2      VAL  49   5.294  -8.335  -3.428
  419   HG23  VAL  49          2HG2      VAL  49   4.911  -8.131  -1.718
  420    H    ILE  50           H        ILE  50   6.505  -4.276  -4.102
  421    HA   ILE  50           HA       ILE  50   4.708  -4.937  -6.299
  422    HB   ILE  50           HB       ILE  50   5.153  -2.173  -5.200
  423   HG12  ILE  50          2HG1      ILE  50   3.329  -4.336  -4.126
  424   HG13  ILE  50          1HG1      ILE  50   4.665  -3.567  -3.277
  425   HG21  ILE  50          1HG2      ILE  50   3.329  -1.574  -6.374
  426   HG22  ILE  50          2HG2      ILE  50   2.497  -3.096  -6.057
  427   HG23  ILE  50          3HG2      ILE  50   3.712  -3.004  -7.331
  428   HD11  ILE  50          3HD1      ILE  50   3.497  -1.522  -3.107
  429   HD12  ILE  50          1HD1      ILE  50   2.372  -2.794  -2.633
  430   HD13  ILE  50          2HD1      ILE  50   2.251  -2.063  -4.232
  431    H    ASN  51           H        ASN  51   7.738  -4.900  -6.542
  432    HA   ASN  51           HA       ASN  51   8.574  -2.719  -8.075
  433    HB2  ASN  51           2HB      ASN  51   9.598  -5.312  -7.359
  434    HB3  ASN  51           1HB      ASN  51   9.913  -5.004  -9.065
  435   HD21  ASN  51          1HD2      ASN  51  11.509  -5.013  -6.436
  436   HD22  ASN  51          2HD2      ASN  51  12.457  -3.574  -6.548
  437    H    GLU  52           H        GLU  52   6.953  -5.705  -9.000
  438    HA   GLU  52           HA       GLU  52   7.172  -5.600 -11.743
  439    HB2  GLU  52           2HB      GLU  52   5.490  -6.938  -9.811
  440    HB3  GLU  52           1HB      GLU  52   4.566  -6.507 -11.243
  441    HG2  GLU  52           2HG      GLU  52   6.117  -7.692 -12.654
  442    HG3  GLU  52           1HG      GLU  52   7.156  -8.038 -11.271
  443    HA   PRO  53           HA       PRO  53   5.344  -1.599 -12.691
  444    HB2  PRO  53           2HB      PRO  53   5.018  -3.090 -15.266
  445    HB3  PRO  53           1HB      PRO  53   5.598  -1.443 -14.987
  446    HG2  PRO  53           2HG      PRO  53   7.305  -3.431 -15.494
  447    HG3  PRO  53           1HG      PRO  53   7.703  -2.150 -14.336
  448    HD2  PRO  53           2HD      PRO  53   6.975  -4.983 -13.841
  449    HD3  PRO  53           1HD      PRO  53   7.965  -3.882 -12.862
  450    H    SER  54           H        SER  54   3.889  -4.740 -13.329
  451    HA   SER  54           HA       SER  54   1.300  -3.795 -13.993
  452    HB2  SER  54           2HB      SER  54   1.826  -6.470 -12.715
  453    HB3  SER  54           1HB      SER  54   0.616  -6.045 -13.925
  454    HG   SER  54           HG       SER  54   2.111  -6.111 -15.477
  455    H    ARG  55           H        ARG  55   2.936  -4.386 -10.983
  456    HA   ARG  55           HA       ARG  55   0.495  -4.225  -9.421
  457    HB2  ARG  55           2HB      ARG  55   3.393  -4.490  -8.614
  458    HB3  ARG  55           1HB      ARG  55   2.052  -4.452  -7.478
  459    HG2  ARG  55           2HG      ARG  55   1.276  -6.534  -8.119
  460    HG3  ARG  55           1HG      ARG  55   2.099  -6.471  -9.679
  461    HD2  ARG  55           2HD      ARG  55   4.271  -6.480  -8.323
  462    HD3  ARG  55           1HD      ARG  55   3.268  -6.979  -6.960
  463    HE   ARG  55           HE       ARG  55   4.039  -8.575  -9.230
  464   HH11  ARG  55          1HH1      ARG  55   1.725  -8.183  -6.646
  465   HH12  ARG  55          2HH1      ARG  55   1.264  -9.852  -6.638
  466   HH21  ARG  55          1HH2      ARG  55   3.435 -10.769  -9.219
  467   HH22  ARG  55          2HH2      ARG  55   2.235 -11.321  -8.098
  468    H    LEU  56           H        LEU  56   2.733  -2.047 -10.737
  469    HA   LEU  56           HA       LEU  56   3.093  -0.101  -8.834
  470    HB2  LEU  56           2HB      LEU  56   2.828  -0.044 -11.797
  471    HB3  LEU  56           1HB      LEU  56   2.816   1.484 -10.939
  472    HG   LEU  56           HG       LEU  56   5.020  -0.577 -10.852
  473   HD11  LEU  56          1HD1      LEU  56   5.440   0.394 -12.852
  474   HD12  LEU  56          2HD1      LEU  56   6.168   1.630 -11.826
  475   HD13  LEU  56          3HD1      LEU  56   4.537   1.856 -12.457
  476   HD21  LEU  56          3HD2      LEU  56   6.208   1.409  -9.717
  477   HD22  LEU  56          1HD2      LEU  56   5.099   0.428  -8.759
  478   HD23  LEU  56          2HD2      LEU  56   4.579   1.993  -9.381
  479    HA   PRO  57           HA       PRO  57  -1.242   1.839 -10.353
  480    HB2  PRO  57           2HB      PRO  57  -2.551  -0.836 -10.575
  481    HB3  PRO  57           1HB      PRO  57  -2.869   0.651 -11.476
  482    HG2  PRO  57           2HG      PRO  57  -1.512  -1.349 -12.591
  483    HG3  PRO  57           1HG      PRO  57  -1.059   0.341 -12.889
  484    HD2  PRO  57           2HD      PRO  57   0.265  -1.703 -11.173
  485    HD3  PRO  57           1HD      PRO  57   0.979  -0.372 -12.105
  486    H    LEU  58           H        LEU  58  -0.627  -1.006  -8.409
  487    HA   LEU  58           HA       LEU  58  -2.771  -0.873  -6.631
  488    HB2  LEU  58           2HB      LEU  58  -0.748  -2.569  -6.925
  489    HB3  LEU  58           1HB      LEU  58  -0.080  -1.628  -5.606
  490    HG   LEU  58           HG       LEU  58  -2.851  -2.705  -5.336
  491   HD11  LEU  58          1HD1      LEU  58  -2.236  -4.852  -4.907
  492   HD12  LEU  58          2HD1      LEU  58  -0.598  -4.407  -4.430
  493   HD13  LEU  58          3HD1      LEU  58  -1.035  -4.459  -6.138
  494   HD21  LEU  58          3HD2      LEU  58  -1.516  -1.143  -3.718
  495   HD22  LEU  58          1HD2      LEU  58  -0.742  -2.651  -3.228
  496   HD23  LEU  58          2HD2      LEU  58  -2.491  -2.467  -3.079
  497    H    PHE  59           H        PHE  59   0.248   0.916  -6.715
  498    HA   PHE  59           HA       PHE  59   0.361   2.000  -4.189
  499    HB2  PHE  59           2HB      PHE  59   1.167   3.001  -6.888
  500    HB3  PHE  59           1HB      PHE  59   1.258   4.099  -5.518
  501    HD1  PHE  59           2HD      PHE  59   2.455   0.845  -6.806
  502    HD2  PHE  59           1HD      PHE  59   3.026   3.978  -3.984
  503    HE1  PHE  59           2HE      PHE  59   4.638  -0.111  -6.192
  504    HE2  PHE  59           1HE      PHE  59   5.209   3.027  -3.363
  505    HZ   PHE  59           HZ       PHE  59   6.016   0.979  -4.468
  506    H    ASP  60           H        ASP  60  -1.825   2.783  -6.791
  507    HA   ASP  60           HA       ASP  60  -2.749   5.274  -6.031
  508    HB2  ASP  60           2HB      ASP  60  -4.008   2.962  -7.451
  509    HB3  ASP  60           1HB      ASP  60  -5.001   4.350  -7.016
  510    H    ALA  61           H        ALA  61  -4.018   2.113  -5.038
  511    HA   ALA  61           HA       ALA  61  -5.925   3.203  -3.221
  512    HB1  ALA  61           1HB      ALA  61  -4.856   0.395  -3.142
  513    HB2  ALA  61           2HB      ALA  61  -6.016   0.937  -4.356
  514    HB3  ALA  61           3HB      ALA  61  -6.444   0.981  -2.646
  515    H    ILE  62           H        ILE  62  -2.561   2.431  -2.970
  516    HA   ILE  62           HA       ILE  62  -2.437   2.051  -0.162
  517    HB   ILE  62           HB       ILE  62  -0.231   3.058  -1.961
  518   HG12  ILE  62          2HG1      ILE  62  -1.225   0.967  -2.816
  519   HG13  ILE  62          1HG1      ILE  62   0.417   0.718  -2.230
  520   HG21  ILE  62          1HG2      ILE  62  -0.254   2.894   0.756
  521   HG22  ILE  62          2HG2      ILE  62   1.192   2.788  -0.247
  522   HG23  ILE  62          3HG2      ILE  62   0.397   1.317   0.313
  523   HD11  ILE  62          3HD1      ILE  62  -0.590  -1.088  -1.305
  524   HD12  ILE  62          1HD1      ILE  62  -2.154  -0.285  -1.164
  525   HD13  ILE  62          2HD1      ILE  62  -0.868   0.077  -0.012
  526    H    ARG  63           H        ARG  63  -2.220   4.896  -2.232
  527    HA   ARG  63           HA       ARG  63  -1.253   6.735  -0.374
  528    HB2  ARG  63           2HB      ARG  63  -2.772   6.878  -2.905
  529    HB3  ARG  63           1HB      ARG  63  -2.891   8.292  -1.864
  530    HG2  ARG  63           2HG      ARG  63  -0.222   7.857  -1.823
  531    HG3  ARG  63           1HG      ARG  63  -0.630   7.282  -3.440
  532    HD2  ARG  63           2HD      ARG  63  -1.472   9.958  -2.342
  533    HD3  ARG  63           1HD      ARG  63  -0.016   9.707  -3.305
  534    HE   ARG  63           HE       ARG  63  -2.681   9.911  -4.269
  535   HH11  ARG  63          1HH1      ARG  63   0.362   8.309  -4.858
  536   HH12  ARG  63          2HH1      ARG  63   0.065   8.097  -6.551
  537   HH21  ARG  63          1HH2      ARG  63  -3.074   9.633  -6.495
  538   HH22  ARG  63          2HH2      ARG  63  -1.886   8.848  -7.480
  539    HA   PRO  64           HA       PRO  64  -6.106   7.836   0.415
  540    HB2  PRO  64           2HB      PRO  64  -6.764   4.914   0.247
  541    HB3  PRO  64           1HB      PRO  64  -7.806   6.314  -0.038
  542    HG2  PRO  64           2HG      PRO  64  -6.740   4.958  -2.074
  543    HG3  PRO  64           1HG      PRO  64  -6.916   6.720  -2.131
  544    HD2  PRO  64           2HD      PRO  64  -4.475   5.084  -1.838
  545    HD3  PRO  64           1HD      PRO  64  -4.661   6.736  -2.453
  546    H    LEU  65           H        LEU  65  -4.888   4.624   1.409
  547    HA   LEU  65           HA       LEU  65  -5.787   4.840   4.080
  548    HB2  LEU  65           2HB      LEU  65  -3.650   3.115   2.832
  549    HB3  LEU  65           1HB      LEU  65  -4.181   2.952   4.495
  550    HG   LEU  65           HG       LEU  65  -5.912   2.555   2.052
  551   HD11  LEU  65          1HD1      LEU  65  -4.715   0.594   4.002
  552   HD12  LEU  65          2HD1      LEU  65  -4.328   0.756   2.289
  553   HD13  LEU  65          3HD1      LEU  65  -5.925   0.195   2.784
  554   HD21  LEU  65          3HD2      LEU  65  -6.491   2.759   4.945
  555   HD22  LEU  65          1HD2      LEU  65  -7.302   1.467   4.061
  556   HD23  LEU  65          2HD2      LEU  65  -7.503   3.144   3.552
  557    H    ILE  66           H        ILE  66  -2.836   5.767   2.459
  558    HA   ILE  66           HA       ILE  66  -1.344   6.280   4.839
  559    HB   ILE  66           HB       ILE  66  -0.902   6.460   1.960
  560   HG12  ILE  66          2HG1      ILE  66   1.527   6.311   3.375
  561   HG13  ILE  66          1HG1      ILE  66   0.351   5.423   4.340
  562   HG21  ILE  66          1HG2      ILE  66   0.950   8.128   2.146
  563   HG22  ILE  66          2HG2      ILE  66   0.300   8.581   3.721
  564   HG23  ILE  66          3HG2      ILE  66  -0.672   8.807   2.268
  565   HD11  ILE  66          3HD1      ILE  66   1.473   3.933   2.822
  566   HD12  ILE  66          1HD1      ILE  66   1.024   4.945   1.448
  567   HD13  ILE  66          2HD1      ILE  66  -0.221   4.088   2.357
  568    HA   PRO  67           HA       PRO  67  -2.866  10.195   6.193
  569    HB2  PRO  67           2HB      PRO  67   0.012  10.971   6.330
  570    HB3  PRO  67           1HB      PRO  67  -1.249  11.097   7.563
  571    HG2  PRO  67           2HG      PRO  67   0.582   9.182   7.716
  572    HG3  PRO  67           1HG      PRO  67  -1.111   8.846   8.123
  573    HD2  PRO  67           2HD      PRO  67   0.429   8.120   5.670
  574    HD3  PRO  67           1HD      PRO  67  -0.828   7.206   6.526
  575    H    LEU  68           H        LEU  68  -3.043  12.388   5.576
  576    HA   LEU  68           HA       LEU  68  -3.019  12.905   2.853
  577    HB2  LEU  68           2HB      LEU  68  -2.688  15.360   4.374
  578    HB3  LEU  68           1HB      LEU  68  -4.027  14.829   3.381
  579    HG   LEU  68           HG       LEU  68  -4.648  13.361   5.446
  580   HD11  LEU  68          1HD1      LEU  68  -3.237  13.547   7.162
  581   HD12  LEU  68          2HD1      LEU  68  -3.883  15.171   7.399
  582   HD13  LEU  68          3HD1      LEU  68  -2.421  14.935   6.441
  583   HD21  LEU  68          3HD2      LEU  68  -5.599  15.645   6.468
  584   HD22  LEU  68          1HD2      LEU  68  -6.253  14.893   5.013
  585   HD23  LEU  68          2HD2      LEU  68  -5.104  16.224   4.877
  586    H    LYS  69           H        LYS  69  -0.967  14.772   5.087
  587    HA   LYS  69           HA       LYS  69   0.802  15.767   3.245
  588    HB2  LYS  69           2HB      LYS  69   2.449  15.904   5.129
  589    HB3  LYS  69           1HB      LYS  69   0.863  16.568   5.496
  590    HG2  LYS  69           2HG      LYS  69   0.881  13.818   6.227
  591    HG3  LYS  69           1HG      LYS  69   2.315  14.594   6.903
  592    HD2  LYS  69           2HD      LYS  69  -0.234  16.075   7.157
  593    HD3  LYS  69           1HD      LYS  69  -0.080  14.603   8.119
  594    HE2  LYS  69           2HE      LYS  69   0.928  15.944   9.611
  595    HE3  LYS  69           1HE      LYS  69   2.330  15.781   8.554
  596    HZ1  LYS  69           3HZ      LYS  69   0.590  18.063   8.984
  597    HZ2  LYS  69           1HZ      LYS  69   1.063  17.801   7.381
  598    HZ3  LYS  69           2HZ      LYS  69   2.232  18.014   8.585
  599    H    HIS  70           H        HIS  70   0.726  12.583   4.666
  600    HA   HIS  70           HA       HIS  70   3.307  11.744   3.893
  601    HB2  HIS  70           2HB      HIS  70   0.772  10.291   4.597
  602    HB3  HIS  70           1HB      HIS  70   2.191   9.408   4.040
  603    HD1  HIS  70           1HD      HIS  70   2.480   8.270   6.346
  604    HD2  HIS  70           2HD      HIS  70   2.720  12.418   6.448
  605    HE1  HIS  70           1HE      HIS  70   3.411   8.834   8.612
  606    HE2  HIS  70           2HE      HIS  70   3.478  11.351   8.680
  607    H    GLN  71           H        GLN  71   0.206  11.795   2.236
  608    HA   GLN  71           HA       GLN  71   0.837  10.159   0.057
  609    HB2  GLN  71           2HB      GLN  71  -1.028  12.512   0.321
  610    HB3  GLN  71           1HB      GLN  71  -0.893  11.583  -1.164
  611    HG2  GLN  71           2HG      GLN  71  -1.693   9.613  -0.102
  612    HG3  GLN  71           1HG      GLN  71  -1.589  10.362   1.491
  613   HE21  GLN  71          1HE2      GLN  71  -3.797   9.232  -0.344
  614   HE22  GLN  71          2HE2      GLN  71  -5.045  10.421  -0.227
  615    H    VAL  72           H        VAL  72   1.138  13.665   0.434
  616    HA   VAL  72           HA       VAL  72   2.204  14.267  -2.067
  617    HB   VAL  72           HB       VAL  72   2.961  15.652   0.508
  618   HG11  VAL  72          1HG1      VAL  72   2.542  17.076  -2.060
  619   HG12  VAL  72          2HG1      VAL  72   4.006  16.109  -1.890
  620   HG13  VAL  72          3HG1      VAL  72   3.673  17.411  -0.749
  621   HG21  VAL  72          3HG2      VAL  72   0.954  17.157  -0.461
  622   HG22  VAL  72          1HG2      VAL  72   0.724  15.884   0.738
  623   HG23  VAL  72          2HG2      VAL  72   0.405  15.559  -0.965
  624    H    GLU  73           H        GLU  73   3.917  13.582   0.986
  625    HA   GLU  73           HA       GLU  73   6.505  13.675  -0.155
  626    HB2  GLU  73           2HB      GLU  73   5.538  13.541   2.394
  627    HB3  GLU  73           1HB      GLU  73   6.135  11.900   2.175
  628    HG2  GLU  73           2HG      GLU  73   7.991  12.917   3.023
  629    HG3  GLU  73           1HG      GLU  73   8.275  13.122   1.294
  630    H    TYR  74           H        TYR  74   4.105  11.154   0.137
  631    HA   TYR  74           HA       TYR  74   5.684   8.906  -0.345
  632    HB2  TYR  74           2HB      TYR  74   3.135   9.105   0.181
  633    HB3  TYR  74           1HB      TYR  74   2.954   9.187  -1.568
  634    HD1  TYR  74           1HD      TYR  74   4.409   7.273  -2.822
  635    HD2  TYR  74           2HD      TYR  74   2.861   7.032   1.134
  636    HE1  TYR  74           1HE      TYR  74   4.487   4.821  -2.947
  637    HE2  TYR  74           2HE      TYR  74   2.937   4.575   1.019
  638    HH   TYR  74           HH       TYR  74   3.079   2.864  -1.644
  639    H    ASP  75           H        ASP  75   4.188  11.202  -2.553
  640    HA   ASP  75           HA       ASP  75   5.082   9.902  -4.933
  641    HB2  ASP  75           2HB      ASP  75   3.959  12.643  -4.371
  642    HB3  ASP  75           1HB      ASP  75   4.470  12.151  -5.983
  643    H    GLN  76           H        GLN  76   6.336  12.440  -2.837
  644    HA   GLN  76           HA       GLN  76   8.363  13.366  -4.575
  645    HB2  GLN  76           2HB      GLN  76   7.772  13.585  -1.671
  646    HB3  GLN  76           1HB      GLN  76   9.419  13.934  -2.182
  647    HG2  GLN  76           2HG      GLN  76   7.940  15.350  -3.992
  648    HG3  GLN  76           1HG      GLN  76   6.975  15.489  -2.523
  649   HE21  GLN  76          1HE2      GLN  76   8.051  16.289  -0.604
  650   HE22  GLN  76          2HE2      GLN  76   9.349  17.417  -0.768
  651    H    LEU  77           H        LEU  77   8.197  10.685  -2.329
  652    HA   LEU  77           HA       LEU  77  11.027  10.128  -2.517
  653    HB2  LEU  77           2HB      LEU  77   8.716   8.788  -1.154
  654    HB3  LEU  77           1HB      LEU  77  10.278   8.000  -1.268
  655    HG   LEU  77           HG       LEU  77  10.067  10.755  -0.111
  656   HD11  LEU  77          1HD1      LEU  77   9.481  10.005   1.987
  657   HD12  LEU  77          2HD1      LEU  77   9.927   8.337   1.632
  658   HD13  LEU  77          3HD1      LEU  77   8.449   9.017   0.951
  659   HD21  LEU  77          3HD2      LEU  77  12.284  10.299  -0.257
  660   HD22  LEU  77          1HD2      LEU  77  12.042   8.553  -0.204
  661   HD23  LEU  77          2HD2      LEU  77  11.960   9.499   1.282
  662    H    THR  78           H        THR  78   8.030   8.557  -3.558
  663    HA   THR  78           HA       THR  78   9.283   6.445  -4.953
  664    HB   THR  78           HB       THR  78   7.057   6.133  -6.018
  665    HG1  THR  78           1HG      THR  78   6.281   8.393  -4.501
  666   HG21  THR  78          3HG2      THR  78   7.038   4.979  -4.053
  667   HG22  THR  78          1HG2      THR  78   5.724   6.121  -3.769
  668   HG23  THR  78          2HG2      THR  78   7.316   6.420  -3.075
  669    HA   PRO  79           HA       PRO  79  10.558   9.057  -8.409
  670    HB2  PRO  79           2HB      PRO  79  12.190   7.258  -9.575
  671    HB3  PRO  79           1HB      PRO  79  12.660   8.147  -8.120
  672    HG2  PRO  79           2HG      PRO  79  11.609   5.355  -8.378
  673    HG3  PRO  79           1HG      PRO  79  12.939   5.962  -7.374
  674    HD2  PRO  79           2HD      PRO  79  10.436   5.484  -6.408
  675    HD3  PRO  79           1HD      PRO  79  11.521   6.714  -5.733
  676    H    ARG  80           H        ARG  80  11.000   8.170 -10.890
  677    HA   ARG  80           HA       ARG  80   8.892   6.368 -11.733
  678    HB2  ARG  80           2HB      ARG  80   7.858   8.010 -13.252
  679    HB3  ARG  80           1HB      ARG  80   7.676   8.467 -11.564
  680    HG2  ARG  80           2HG      ARG  80  10.047   9.678 -12.417
  681    HG3  ARG  80           1HG      ARG  80   8.888   9.911 -13.727
  682    HD2  ARG  80           2HD      ARG  80   7.346  10.476 -11.573
  683    HD3  ARG  80           1HD      ARG  80   8.922  11.024 -11.003
  684    HE   ARG  80           HE       ARG  80   8.829  12.757 -12.500
  685   HH11  ARG  80          1HH1      ARG  80   6.378  10.411 -13.321
  686   HH12  ARG  80          2HH1      ARG  80   5.625  11.427 -14.504
  687   HH21  ARG  80          1HH2      ARG  80   7.840  14.093 -14.056
  688   HH22  ARG  80          2HH2      ARG  80   6.455  13.517 -14.923
  Start of MODEL    2
    1    H1   MET   1           1HT      MET   1 -17.386  -0.010  11.213
    2    H2   MET   1           2HT      MET   1 -18.034  -0.644   9.756
    3    H3   MET   1           3HT      MET   1 -19.043   0.226  10.837
    4    HA   MET   1           HA       MET   1 -18.556   1.644   9.086
    5    HB2  MET   1           2HB      MET   1 -18.020   2.167  11.725
    6    HB3  MET   1           1HB      MET   1 -16.530   2.685  10.948
    7    HG2  MET   1           2HG      MET   1 -18.650   3.706   9.403
    8    HG3  MET   1           1HG      MET   1 -19.050   4.012  11.090
    9    HE1  MET   1           2HE      MET   1 -17.024   5.844  12.706
   10    HE2  MET   1           3HE      MET   1 -18.680   5.796  12.097
   11    HE3  MET   1           1HE      MET   1 -17.626   7.150  11.684
   12    H    ASP   2           H        ASP   2 -17.415   1.819   7.274
   13    HA   ASP   2           HA       ASP   2 -14.510   1.444   7.363
   14    HB2  ASP   2           2HB      ASP   2 -16.068  -0.590   6.506
   15    HB3  ASP   2           1HB      ASP   2 -15.871   0.298   4.997
   16    H    ARG   3           H        ARG   3 -13.508   2.096   5.208
   17    HA   ARG   3           HA       ARG   3 -14.693   4.643   4.427
   18    HB2  ARG   3           2HB      ARG   3 -11.998   3.566   4.624
   19    HB3  ARG   3           1HB      ARG   3 -12.266   4.375   3.086
   20    HG2  ARG   3           2HG      ARG   3 -13.193   6.311   4.479
   21    HG3  ARG   3           1HG      ARG   3 -12.431   5.508   5.853
   22    HD2  ARG   3           2HD      ARG   3 -10.339   5.471   4.279
   23    HD3  ARG   3           1HD      ARG   3 -11.181   6.791   3.467
   24    HE   ARG   3           HE       ARG   3 -10.972   7.123   6.315
   25   HH11  ARG   3          1HH1      ARG   3  -9.388   7.642   3.249
   26   HH12  ARG   3          2HH1      ARG   3  -8.413   8.948   3.832
   27   HH21  ARG   3          1HH2      ARG   3  -9.691   8.840   7.085
   28   HH22  ARG   3          2HH2      ARG   3  -8.585   9.629   6.010
   29    H    LYS   4           H        LYS   4 -13.715   5.050   1.926
   30    HA   LYS   4           HA       LYS   4 -15.366   3.223   0.359
   31    HB2  LYS   4           2HB      LYS   4 -14.916   4.973  -1.467
   32    HB3  LYS   4           1HB      LYS   4 -15.940   5.440  -0.117
   33    HG2  LYS   4           2HG      LYS   4 -13.103   6.013   0.294
   34    HG3  LYS   4           1HG      LYS   4 -13.827   6.873  -1.064
   35    HD2  LYS   4           2HD      LYS   4 -15.693   7.526   0.521
   36    HD3  LYS   4           1HD      LYS   4 -14.670   6.915   1.824
   37    HE2  LYS   4           2HE      LYS   4 -13.309   8.698   1.751
   38    HE3  LYS   4           1HE      LYS   4 -13.303   8.740  -0.011
   39    HZ1  LYS   4           3HZ      LYS   4 -14.419  10.632   1.388
   40    HZ2  LYS   4           1HZ      LYS   4 -15.739   9.573   1.384
   41    HZ3  LYS   4           2HZ      LYS   4 -15.092  10.125  -0.078
   42    H    VAL   5           H        VAL   5 -12.044   4.393   0.562
   43    HA   VAL   5           HA       VAL   5 -11.161   2.980  -1.765
   44    HB   VAL   5           HB       VAL   5  -9.434   4.009   0.486
   45   HG11  VAL   5          1HG1      VAL   5  -8.786   2.501  -1.731
   46   HG12  VAL   5          2HG1      VAL   5  -7.674   3.483  -0.778
   47   HG13  VAL   5          3HG1      VAL   5  -8.415   4.151  -2.233
   48   HG21  VAL   5          3HG2      VAL   5 -10.081   5.538  -2.015
   49   HG22  VAL   5          1HG2      VAL   5  -9.356   6.121  -0.517
   50   HG23  VAL   5          2HG2      VAL   5 -11.065   5.691  -0.558
   51    H    ALA   6           H        ALA   6 -11.425   2.261   1.639
   52    HA   ALA   6           HA       ALA   6  -9.664   0.107   1.835
   53    HB1  ALA   6           1HB      ALA   6 -10.508  -0.184   3.908
   54    HB2  ALA   6           2HB      ALA   6 -12.181  -0.112   3.353
   55    HB3  ALA   6           3HB      ALA   6 -11.262   1.377   3.581
   56    H    ARG   7           H        ARG   7 -13.102   0.145   0.992
   57    HA   ARG   7           HA       ARG   7 -13.357  -2.643   0.638
   58    HB2  ARG   7           2HB      ARG   7 -15.012  -0.314   0.335
   59    HB3  ARG   7           1HB      ARG   7 -15.208  -1.356  -1.068
   60    HG2  ARG   7           2HG      ARG   7 -15.967  -3.152   0.235
   61    HG3  ARG   7           1HG      ARG   7 -15.397  -2.414   1.733
   62    HD2  ARG   7           2HD      ARG   7 -17.849  -2.280   1.461
   63    HD3  ARG   7           1HD      ARG   7 -17.080  -0.697   1.581
   64    HE   ARG   7           HE       ARG   7 -17.318  -1.390  -1.127
   65   HH11  ARG   7          1HH1      ARG   7 -19.321  -0.509   1.590
   66   HH12  ARG   7          2HH1      ARG   7 -20.560   0.195   0.608
   67   HH21  ARG   7          1HH2      ARG   7 -18.948  -0.464  -2.422
   68   HH22  ARG   7          2HH2      ARG   7 -20.349   0.221  -1.670
   69    H    GLU   8           H        GLU   8 -12.982  -0.027  -1.727
   70    HA   GLU   8           HA       GLU   8 -12.793  -1.667  -3.997
   71    HB2  GLU   8           2HB      GLU   8 -12.726   1.084  -3.457
   72    HB3  GLU   8           1HB      GLU   8 -11.198   0.735  -4.256
   73    HG2  GLU   8           2HG      GLU   8 -13.309  -0.601  -5.639
   74    HG3  GLU   8           1HG      GLU   8 -13.734   1.095  -5.420
   75    H    PHE   9           H        PHE   9 -10.446  -0.706  -1.606
   76    HA   PHE   9           HA       PHE   9  -8.094  -1.327  -3.017
   77    HB2  PHE   9           2HB      PHE   9  -8.031  -0.031  -0.964
   78    HB3  PHE   9           1HB      PHE   9  -8.671  -1.390  -0.047
   79    HD1  PHE   9           2HD      PHE   9  -5.958  -1.217  -2.594
   80    HD2  PHE   9           1HD      PHE   9  -7.038  -2.040   1.439
   81    HE1  PHE   9           2HE      PHE   9  -3.663  -1.981  -2.139
   82    HE2  PHE   9           1HE      PHE   9  -4.747  -2.804   1.902
   83    HZ   PHE   9           HZ       PHE   9  -3.055  -2.776   0.112
   84    H    ARG  10           H        ARG  10  -9.930  -3.275  -0.658
   85    HA   ARG  10           HA       ARG  10  -8.386  -5.593  -0.857
   86    HB2  ARG  10           2HB      ARG  10 -11.279  -5.162  -0.135
   87    HB3  ARG  10           1HB      ARG  10 -10.527  -6.749  -0.080
   88    HG2  ARG  10           2HG      ARG  10  -8.985  -4.716   1.319
   89    HG3  ARG  10           1HG      ARG  10 -10.612  -4.922   1.969
   90    HD2  ARG  10           2HD      ARG  10  -9.207  -7.427   1.370
   91    HD3  ARG  10           1HD      ARG  10  -8.458  -6.452   2.633
   92    HE   ARG  10           HE       ARG  10 -11.064  -6.491   3.350
   93   HH11  ARG  10          1HH1      ARG  10  -8.778  -8.999   2.539
   94   HH12  ARG  10          2HH1      ARG  10  -9.517 -10.180   3.566
   95   HH21  ARG  10          1HH2      ARG  10 -12.040  -8.043   4.702
   96   HH22  ARG  10          2HH2      ARG  10 -11.371  -9.638   4.794
   97    H    HIS  11           H        HIS  11 -11.233  -4.571  -2.702
   98    HA   HIS  11           HA       HIS  11 -11.486  -6.957  -4.203
   99    HB2  HIS  11           2HB      HIS  11 -12.898  -4.547  -3.953
  100    HB3  HIS  11           1HB      HIS  11 -12.428  -4.635  -5.647
  101    HD1  HIS  11           1HD      HIS  11 -12.698  -7.748  -5.942
  102    HD2  HIS  11           2HD      HIS  11 -15.540  -5.230  -4.253
  103    HE1  HIS  11           1HE      HIS  11 -14.886  -8.970  -6.149
  104    HE2  HIS  11           2HE      HIS  11 -16.576  -7.467  -5.040
  105    H    LYS  12           H        LYS  12 -10.094  -3.790  -5.086
  106    HA   LYS  12           HA       LYS  12  -9.224  -4.520  -7.636
  107    HB2  LYS  12           2HB      LYS  12  -7.896  -2.539  -7.623
  108    HB3  LYS  12           1HB      LYS  12  -9.367  -2.186  -6.729
  109    HG2  LYS  12           2HG      LYS  12  -8.142  -2.510  -4.623
  110    HG3  LYS  12           1HG      LYS  12  -6.667  -2.799  -5.547
  111    HD2  LYS  12           2HD      LYS  12  -8.278  -0.283  -5.866
  112    HD3  LYS  12           1HD      LYS  12  -7.038  -0.445  -4.621
  113    HE2  LYS  12           2HE      LYS  12  -6.568  -0.871  -7.569
  114    HE3  LYS  12           1HE      LYS  12  -6.234   0.634  -6.715
  115    HZ1  LYS  12           3HZ      LYS  12  -5.047  -1.643  -5.442
  116    HZ2  LYS  12           1HZ      LYS  12  -4.339  -0.179  -5.915
  117    HZ3  LYS  12           2HZ      LYS  12  -4.503  -1.440  -7.031
  118    H    VAL  13           H        VAL  13  -7.466  -4.598  -4.539
  119    HA   VAL  13           HA       VAL  13  -4.991  -5.423  -5.500
  120    HB   VAL  13           HB       VAL  13  -6.303  -6.136  -2.871
  121   HG11  VAL  13          1HG1      VAL  13  -3.653  -6.151  -2.352
  122   HG12  VAL  13          2HG1      VAL  13  -3.657  -6.779  -4.000
  123   HG13  VAL  13          3HG1      VAL  13  -4.585  -7.595  -2.742
  124   HG21  VAL  13          3HG2      VAL  13  -5.615  -4.150  -2.049
  125   HG22  VAL  13          1HG2      VAL  13  -5.681  -3.664  -3.743
  126   HG23  VAL  13          2HG2      VAL  13  -4.143  -4.136  -3.020
  127    H    ASP  14           H        ASP  14  -7.740  -7.419  -4.428
  128    HA   ASP  14           HA       ASP  14  -6.545  -9.915  -4.852
  129    HB2  ASP  14           2HB      ASP  14  -8.793  -9.302  -3.697
  130    HB3  ASP  14           1HB      ASP  14  -9.479  -9.453  -5.313
  131    H    PHE  15           H        PHE  15  -8.399  -7.832  -7.026
  132    HA   PHE  15           HA       PHE  15  -8.442  -9.649  -9.206
  133    HB2  PHE  15           2HB      PHE  15 -10.042  -7.798  -9.019
  134    HB3  PHE  15           1HB      PHE  15  -8.729  -6.636  -9.185
  135    HD1  PHE  15           1HD      PHE  15 -10.805  -9.099 -10.926
  136    HD2  PHE  15           2HD      PHE  15  -7.725  -6.189 -11.321
  137    HE1  PHE  15           1HE      PHE  15 -11.086  -9.138 -13.370
  138    HE2  PHE  15           2HE      PHE  15  -8.001  -6.223 -13.766
  139    HZ   PHE  15           HZ       PHE  15  -9.684  -7.699 -14.793
  140    H    LEU  16           H        LEU  16  -6.238  -7.096  -8.204
  141    HA   LEU  16           HA       LEU  16  -4.650  -7.256 -10.598
  142    HB2  LEU  16           2HB      LEU  16  -3.940  -5.954  -7.975
  143    HB3  LEU  16           1HB      LEU  16  -3.198  -5.654  -9.535
  144    HG   LEU  16           HG       LEU  16  -6.104  -5.155  -9.406
  145   HD11  LEU  16          1HD1      LEU  16  -4.448  -2.976  -8.290
  146   HD12  LEU  16          2HD1      LEU  16  -4.831  -4.318  -7.212
  147   HD13  LEU  16          3HD1      LEU  16  -6.130  -3.401  -7.974
  148   HD21  LEU  16          3HD2      LEU  16  -4.187  -4.659 -11.216
  149   HD22  LEU  16          1HD2      LEU  16  -4.154  -3.137 -10.324
  150   HD23  LEU  16          2HD2      LEU  16  -5.653  -3.692 -11.068
  151    H    ILE  17           H        ILE  17  -3.734  -7.741  -7.203
  152    HA   ILE  17           HA       ILE  17  -1.486  -9.355  -7.899
  153    HB   ILE  17           HB       ILE  17  -2.747  -9.104  -5.173
  154   HG12  ILE  17          2HG1      ILE  17  -0.665  -7.335  -6.478
  155   HG13  ILE  17          1HG1      ILE  17  -2.321  -6.871  -6.100
  156   HG21  ILE  17          1HG2      ILE  17   0.102  -9.258  -5.168
  157   HG22  ILE  17          2HG2      ILE  17  -0.542 -10.579  -6.145
  158   HG23  ILE  17          3HG2      ILE  17  -1.071 -10.377  -4.475
  159   HD11  ILE  17          3HD1      ILE  17  -0.043  -6.621  -4.487
  160   HD12  ILE  17          1HD1      ILE  17  -1.048  -7.865  -3.743
  161   HD13  ILE  17          2HD1      ILE  17  -1.718  -6.265  -4.063
  162    H    GLU  18           H        GLU  18  -4.309 -10.147  -5.894
  163    HA   GLU  18           HA       GLU  18  -5.619 -12.016  -5.792
  164    HB2  GLU  18           2HB      GLU  18  -5.140 -12.019  -8.362
  165    HB3  GLU  18           1HB      GLU  18  -4.067 -13.357  -7.974
  166    HG2  GLU  18           2HG      GLU  18  -6.030 -14.457  -6.851
  167    HG3  GLU  18           1HG      GLU  18  -7.038 -13.193  -7.559
  168    H    ASN  19           H        ASN  19  -2.435 -11.810  -5.113
  169    HA   ASN  19           HA       ASN  19  -2.144 -14.595  -4.277
  170    HB2  ASN  19           2HB      ASN  19  -0.164 -12.324  -4.457
  171    HB3  ASN  19           1HB      ASN  19   0.223 -13.891  -3.752
  172   HD21  ASN  19          1HD2      ASN  19   1.352 -12.557  -6.083
  173   HD22  ASN  19          2HD2      ASN  19   1.125 -13.639  -7.411
  174    H    ASP  20           H        ASP  20  -2.390 -15.193  -2.219
  175    HA   ASP  20           HA       ASP  20  -3.265 -13.334  -0.259
  176    HB2  ASP  20           2HB      ASP  20  -2.718 -16.265  -0.322
  177    HB3  ASP  20           1HB      ASP  20  -2.829 -15.476   1.248
  178    H    ALA  21           H        ALA  21  -0.201 -14.884  -0.960
  179    HA   ALA  21           HA       ALA  21   1.108 -14.212   1.456
  180    HB1  ALA  21           1HB      ALA  21   1.920 -15.211  -1.203
  181    HB2  ALA  21           2HB      ALA  21   2.318 -15.811   0.406
  182    HB3  ALA  21           3HB      ALA  21   3.166 -14.409  -0.247
  183    H    GLU  22           H        GLU  22   0.826 -12.588  -1.662
  184    HA   GLU  22           HA       GLU  22   2.633 -10.490  -1.131
  185    HB2  GLU  22           2HB      GLU  22   0.219 -10.450  -2.951
  186    HB3  GLU  22           1HB      GLU  22   1.586  -9.347  -3.015
  187    HG2  GLU  22           2HG      GLU  22   1.754 -12.316  -3.476
  188    HG3  GLU  22           1HG      GLU  22   1.653 -11.099  -4.747
  189    H    LYS  23           H        LYS  23  -0.803 -10.893  -0.501
  190    HA   LYS  23           HA       LYS  23  -1.309  -8.220   0.296
  191    HB2  LYS  23           2HB      LYS  23  -2.763 -10.770   1.025
  192    HB3  LYS  23           1HB      LYS  23  -3.369  -9.144   1.308
  193    HG2  LYS  23           2HG      LYS  23  -3.667  -8.733  -0.975
  194    HG3  LYS  23           1HG      LYS  23  -2.644 -10.093  -1.440
  195    HD2  LYS  23           2HD      LYS  23  -4.320 -11.641  -0.505
  196    HD3  LYS  23           1HD      LYS  23  -5.352 -10.261  -0.121
  197    HE2  LYS  23           2HE      LYS  23  -4.381 -10.528  -2.913
  198    HE3  LYS  23           1HE      LYS  23  -5.622 -11.656  -2.366
  199    HZ1  LYS  23           3HZ      LYS  23  -5.938  -8.999  -3.181
  200    HZ2  LYS  23           1HZ      LYS  23  -6.351  -9.082  -1.541
  201    HZ3  LYS  23           2HZ      LYS  23  -7.128 -10.082  -2.662
  202    H    ASP  24           H        ASP  24  -0.347 -11.133   2.046
  203    HA   ASP  24           HA       ASP  24  -0.563 -10.013   4.641
  204    HB2  ASP  24           2HB      ASP  24   0.763 -12.428   3.475
  205    HB3  ASP  24           1HB      ASP  24   1.190 -11.934   5.110
  206    H    TYR  25           H        TYR  25   1.918 -10.004   2.192
  207    HA   TYR  25           HA       TYR  25   4.035  -9.094   3.872
  208    HB2  TYR  25           2HB      TYR  25   3.861 -10.070   1.300
  209    HB3  TYR  25           1HB      TYR  25   4.227  -8.368   1.036
  210    HD1  TYR  25           1HD      TYR  25   5.370 -10.621   3.775
  211    HD2  TYR  25           2HD      TYR  25   6.452  -8.350   0.344
  212    HE1  TYR  25           1HE      TYR  25   7.742 -11.070   4.235
  213    HE2  TYR  25           2HE      TYR  25   8.828  -8.794   0.793
  214    HH   TYR  25           HH       TYR  25   9.879 -11.141   2.984
  215    H    LEU  26           H        LEU  26   1.822  -7.486   1.602
  216    HA   LEU  26           HA       LEU  26   2.873  -4.884   2.033
  217    HB2  LEU  26           2HB      LEU  26   0.841  -4.099   0.889
  218    HB3  LEU  26           1HB      LEU  26   1.655  -5.381   0.012
  219    HG   LEU  26           HG       LEU  26  -0.045  -6.958   1.134
  220   HD11  LEU  26          1HD1      LEU  26  -0.929  -4.375   2.111
  221   HD12  LEU  26          2HD1      LEU  26  -1.394  -5.998   2.622
  222   HD13  LEU  26          3HD1      LEU  26  -2.207  -5.237   1.255
  223   HD21  LEU  26          3HD2      LEU  26  -0.236  -6.726  -1.163
  224   HD22  LEU  26          1HD2      LEU  26  -0.595  -5.002  -1.061
  225   HD23  LEU  26          2HD2      LEU  26  -1.815  -6.186  -0.589
  226    H    TYR  27           H        TYR  27   0.437  -6.812   3.628
  227    HA   TYR  27           HA       TYR  27  -0.750  -4.663   5.084
  228    HB2  TYR  27           2HB      TYR  27  -1.061  -7.554   4.909
  229    HB3  TYR  27           1HB      TYR  27  -1.207  -6.974   6.564
  230    HD1  TYR  27           2HD      TYR  27  -2.921  -5.207   7.085
  231    HD2  TYR  27           1HD      TYR  27  -2.801  -7.227   3.343
  232    HE1  TYR  27           2HE      TYR  27  -5.237  -4.511   6.641
  233    HE2  TYR  27           1HE      TYR  27  -5.117  -6.536   2.889
  234    HH   TYR  27           HH       TYR  27  -6.611  -4.264   4.004
  235    H    ASP  28           H        ASP  28   1.845  -6.951   5.699
  236    HA   ASP  28           HA       ASP  28   2.223  -6.329   8.432
  237    HB2  ASP  28           2HB      ASP  28   3.701  -7.803   6.340
  238    HB3  ASP  28           1HB      ASP  28   4.690  -7.154   7.645
  239    H    VAL  29           H        VAL  29   3.800  -5.155   5.474
  240    HA   VAL  29           HA       VAL  29   5.609  -3.408   6.741
  241    HB   VAL  29           HB       VAL  29   4.424  -3.061   3.985
  242   HG11  VAL  29          1HG1      VAL  29   5.872  -1.245   5.170
  243   HG12  VAL  29          2HG1      VAL  29   6.197  -1.673   3.490
  244   HG13  VAL  29          3HG1      VAL  29   7.208  -2.329   4.778
  245   HG21  VAL  29          3HG2      VAL  29   5.685  -5.318   4.838
  246   HG22  VAL  29          1HG2      VAL  29   7.040  -4.365   4.232
  247   HG23  VAL  29          2HG2      VAL  29   5.680  -4.736   3.173
  248    H    LEU  30           H        LEU  30   2.298  -2.983   5.607
  249    HA   LEU  30           HA       LEU  30   2.215  -0.168   6.049
  250    HB2  LEU  30           2HB      LEU  30   0.129  -2.277   5.593
  251    HB3  LEU  30           1HB      LEU  30  -0.329  -0.633   5.995
  252    HG   LEU  30           HG       LEU  30   1.469  -1.230   3.662
  253   HD11  LEU  30          1HD1      LEU  30  -1.382  -0.727   3.137
  254   HD12  LEU  30          2HD1      LEU  30  -0.994  -2.315   3.797
  255   HD13  LEU  30          3HD1      LEU  30  -0.238  -1.774   2.298
  256   HD21  LEU  30          3HD2      LEU  30   0.489   0.923   2.868
  257   HD22  LEU  30          1HD2      LEU  30   1.460   1.062   4.334
  258   HD23  LEU  30          2HD2      LEU  30  -0.301   1.080   4.437
  259    H    ARG  31           H        ARG  31   1.303  -3.003   7.944
  260    HA   ARG  31           HA       ARG  31  -0.026  -1.728  10.036
  261    HB2  ARG  31           2HB      ARG  31   0.065  -4.191   9.668
  262    HB3  ARG  31           1HB      ARG  31   1.726  -4.181  10.242
  263    HG2  ARG  31           2HG      ARG  31   0.907  -4.553  12.269
  264    HG3  ARG  31           1HG      ARG  31   0.325  -2.888  12.246
  265    HD2  ARG  31           2HD      ARG  31  -1.813  -3.576  11.426
  266    HD3  ARG  31           1HD      ARG  31  -1.243  -5.224  11.171
  267    HE   ARG  31           HE       ARG  31  -2.231  -4.123  13.596
  268   HH11  ARG  31          1HH1      ARG  31   0.111  -6.384  12.336
  269   HH12  ARG  31          2HH1      ARG  31   0.129  -7.354  13.769
  270   HH21  ARG  31          1HH2      ARG  31  -2.207  -5.399  15.482
  271   HH22  ARG  31          2HH2      ARG  31  -1.187  -6.796  15.556
  272    H    MET  32           H        MET  32   3.410  -2.489   9.667
  273    HA   MET  32           HA       MET  32   4.148  -1.275  12.154
  274    HB2  MET  32           2HB      MET  32   5.548  -2.582   9.897
  275    HB3  MET  32           1HB      MET  32   6.485  -1.399  10.799
  276    HG2  MET  32           2HG      MET  32   5.660  -2.698  12.879
  277    HG3  MET  32           1HG      MET  32   5.314  -3.983  11.723
  278    HE1  MET  32           3HE      MET  32   8.818  -1.550  12.176
  279    HE2  MET  32           1HE      MET  32   9.145  -2.628  13.532
  280    HE3  MET  32           2HE      MET  32   7.613  -1.756  13.448
  281    H    TYR  33           H        TYR  33   3.834  -0.222   8.853
  282    HA   TYR  33           HA       TYR  33   5.401   2.098   8.939
  283    HB2  TYR  33           2HB      TYR  33   4.614   1.256   6.827
  284    HB3  TYR  33           1HB      TYR  33   2.936   1.427   7.326
  285    HD1  TYR  33           1HD      TYR  33   5.972   3.606   7.070
  286    HD2  TYR  33           2HD      TYR  33   1.793   3.188   6.392
  287    HE1  TYR  33           1HE      TYR  33   5.912   5.859   6.085
  288    HE2  TYR  33           2HE      TYR  33   1.723   5.438   5.406
  289    HH   TYR  33           HH       TYR  33   4.409   7.100   4.416
  290    H    HIS  34           H        HIS  34   2.083   1.485   9.924
  291    HA   HIS  34           HA       HIS  34   1.353   4.183  10.361
  292    HB2  HIS  34           2HB      HIS  34   0.009   1.806  10.366
  293    HB3  HIS  34           1HB      HIS  34   0.063   2.175  12.086
  294    HD1  HIS  34           1HD      HIS  34  -2.543   2.211  10.288
  295    HD2  HIS  34           2HD      HIS  34  -0.326   5.528  11.447
  296    HE1  HIS  34           1HE      HIS  34  -4.129   4.157  10.161
  297    HE2  HIS  34           2HE      HIS  34  -2.789   6.140  10.948
  298    H    GLN  35           H        GLN  35   2.536   1.654  12.562
  299    HA   GLN  35           HA       GLN  35   2.565   3.385  14.834
  300    HB2  GLN  35           2HB      GLN  35   3.175   0.587  14.262
  301    HB3  GLN  35           1HB      GLN  35   4.251   1.296  15.456
  302    HG2  GLN  35           2HG      GLN  35   1.946   2.160  16.450
  303    HG3  GLN  35           1HG      GLN  35   1.353   0.728  15.610
  304   HE21  GLN  35          1HE2      GLN  35   4.276   1.501  17.474
  305   HE22  GLN  35          2HE2      GLN  35   4.153   0.153  18.548
  306    H    THR  36           H        THR  36   5.113   1.965  12.822
  307    HA   THR  36           HA       THR  36   7.240   3.338  14.082
  308    HB   THR  36           HB       THR  36   8.624   2.513  12.314
  309    HG1  THR  36           1HG      THR  36   6.207   2.147  10.886
  310   HG21  THR  36          3HG2      THR  36   8.430   0.456  13.081
  311   HG22  THR  36          1HG2      THR  36   7.078   0.189  11.981
  312   HG23  THR  36          2HG2      THR  36   6.781   0.781  13.614
  313    H    MET  37           H        MET  37   5.299   4.031  11.209
  314    HA   MET  37           HA       MET  37   5.005   5.929   9.991
  315    HB2  MET  37           2HB      MET  37   5.596   6.834  12.683
  316    HB3  MET  37           1HB      MET  37   6.157   7.993  11.488
  317    HG2  MET  37           2HG      MET  37   4.102   8.764  11.290
  318    HG3  MET  37           1HG      MET  37   3.580   7.192  10.691
  319    HE1  MET  37           3HE      MET  37   1.440   6.704  11.426
  320    HE2  MET  37           1HE      MET  37   1.083   8.341  11.977
  321    HE3  MET  37           2HE      MET  37   0.730   6.963  13.018
  322    H    ASP  38           H        ASP  38   6.771   4.770   8.740
  323    HA   ASP  38           HA       ASP  38   8.971   6.663   8.322
  324    HB2  ASP  38           2HB      ASP  38   9.182   3.749   8.927
  325    HB3  ASP  38           1HB      ASP  38  10.314   4.440   7.767
  326    H    VAL  39           H        VAL  39   8.201   7.463   6.425
  327    HA   VAL  39           HA       VAL  39   6.969   5.942   4.397
  328    HB   VAL  39           HB       VAL  39   8.439   8.547   4.004
  329   HG11  VAL  39          1HG1      VAL  39   6.479   8.794   2.326
  330   HG12  VAL  39          2HG1      VAL  39   6.361   7.040   2.467
  331   HG13  VAL  39          3HG1      VAL  39   7.856   7.780   1.896
  332   HG21  VAL  39          3HG2      VAL  39   5.866   9.290   4.287
  333   HG22  VAL  39          1HG2      VAL  39   7.035   9.294   5.608
  334   HG23  VAL  39          2HG2      VAL  39   5.924   7.938   5.418
  335    H    ALA  40           H        ALA  40  10.311   6.735   5.068
  336    HA   ALA  40           HA       ALA  40  11.392   6.029   2.556
  337    HB1  ALA  40           1HB      ALA  40  13.396   6.511   3.477
  338    HB2  ALA  40           2HB      ALA  40  13.072   5.576   4.937
  339    HB3  ALA  40           3HB      ALA  40  12.401   7.197   4.762
  340    H    VAL  41           H        VAL  41  10.809   4.173   5.512
  341    HA   VAL  41           HA       VAL  41  12.029   1.784   4.537
  342    HB   VAL  41           HB       VAL  41  10.018   2.036   6.773
  343   HG11  VAL  41          1HG1      VAL  41  11.718  -0.138   5.740
  344   HG12  VAL  41          2HG1      VAL  41  10.184  -0.208   6.609
  345   HG13  VAL  41          3HG1      VAL  41  11.688   0.049   7.494
  346   HG21  VAL  41          3HG2      VAL  41  11.593   2.833   8.167
  347   HG22  VAL  41          1HG2      VAL  41  12.386   3.368   6.685
  348   HG23  VAL  41          2HG2      VAL  41  12.869   1.852   7.445
  349    H    LEU  42           H        LEU  42   8.748   3.046   4.607
  350    HA   LEU  42           HA       LEU  42   7.413   0.693   3.839
  351    HB2  LEU  42           2HB      LEU  42   6.390   2.821   4.749
  352    HB3  LEU  42           1HB      LEU  42   6.569   3.499   3.142
  353    HG   LEU  42           HG       LEU  42   5.184   1.465   2.355
  354   HD11  LEU  42          1HD1      LEU  42   4.188   0.121   3.840
  355   HD12  LEU  42          2HD1      LEU  42   3.829   1.447   4.946
  356   HD13  LEU  42          3HD1      LEU  42   5.425   0.695   4.958
  357   HD21  LEU  42          3HD2      LEU  42   3.327   2.787   2.349
  358   HD22  LEU  42          1HD2      LEU  42   4.541   3.994   2.769
  359   HD23  LEU  42          2HD2      LEU  42   3.534   3.280   4.029
  360    H    VAL  43           H        VAL  43   8.694   3.386   1.910
  361    HA   VAL  43           HA       VAL  43   7.833   2.525  -0.599
  362    HB   VAL  43           HB       VAL  43  10.422   3.970  -0.024
  363   HG11  VAL  43          1HG1      VAL  43  10.593   4.403  -2.226
  364   HG12  VAL  43          2HG1      VAL  43   8.852   4.596  -2.427
  365   HG13  VAL  43          3HG1      VAL  43   9.562   2.983  -2.397
  366   HG21  VAL  43          3HG2      VAL  43   8.121   5.576  -0.829
  367   HG22  VAL  43          1HG2      VAL  43   9.308   5.854   0.446
  368   HG23  VAL  43          2HG2      VAL  43   7.924   4.803   0.744
  369    H    GLY  44           H        GLY  44  10.726   1.670   1.244
  370    HA2  GLY  44           2HA      GLY  44  12.038   0.219  -0.783
  371    HA3  GLY  44           1HA      GLY  44  12.287   0.013   0.945
  372    H    ASP  45           H        ASP  45   9.989  -0.957   1.886
  373    HA   ASP  45           HA       ASP  45  10.032  -3.659   1.105
  374    HB2  ASP  45           2HB      ASP  45   8.052  -2.079   2.751
  375    HB3  ASP  45           1HB      ASP  45   7.939  -3.821   2.524
  376    H    LEU  46           H        LEU  46   7.583  -1.134   0.549
  377    HA   LEU  46           HA       LEU  46   5.788  -2.661  -0.934
  378    HB2  LEU  46           2HB      LEU  46   6.379   0.237  -0.671
  379    HB3  LEU  46           1HB      LEU  46   5.408  -0.258  -2.044
  380    HG   LEU  46           HG       LEU  46   4.689  -1.059   0.765
  381   HD11  LEU  46          1HD1      LEU  46   4.893   1.532   0.138
  382   HD12  LEU  46          2HD1      LEU  46   3.632   0.894   1.194
  383   HD13  LEU  46          3HD1      LEU  46   3.284   1.207  -0.507
  384   HD21  LEU  46          3HD2      LEU  46   2.865  -0.637  -1.577
  385   HD22  LEU  46          1HD2      LEU  46   2.595  -1.585  -0.114
  386   HD23  LEU  46          2HD2      LEU  46   3.722  -2.162  -1.343
  387    H    LYS  47           H        LYS  47   8.808  -1.192  -1.857
  388    HA   LYS  47           HA       LYS  47   8.384  -1.379  -4.678
  389    HB2  LYS  47           2HB      LYS  47  10.637  -0.674  -2.883
  390    HB3  LYS  47           1HB      LYS  47  11.066  -1.260  -4.484
  391    HG2  LYS  47           2HG      LYS  47   9.188   0.531  -5.156
  392    HG3  LYS  47           1HG      LYS  47   9.789   1.266  -3.668
  393    HD2  LYS  47           2HD      LYS  47  12.121   0.624  -4.860
  394    HD3  LYS  47           1HD      LYS  47  11.111   0.909  -6.281
  395    HE2  LYS  47           2HE      LYS  47  10.503   3.011  -4.575
  396    HE3  LYS  47           1HE      LYS  47  12.245   2.801  -4.397
  397    HZ1  LYS  47           3HZ      LYS  47  12.372   2.856  -6.872
  398    HZ2  LYS  47           1HZ      LYS  47  11.877   4.312  -6.167
  399    HZ3  LYS  47           2HZ      LYS  47  10.741   3.300  -6.904
  400    H    LEU  48           H        LEU  48  10.353  -3.259  -2.378
  401    HA   LEU  48           HA       LEU  48  11.346  -5.156  -4.129
  402    HB2  LEU  48           2HB      LEU  48  10.498  -5.669  -1.279
  403    HB3  LEU  48           1HB      LEU  48  11.671  -6.588  -2.202
  404    HG   LEU  48           HG       LEU  48  12.235  -3.698  -1.878
  405   HD11  LEU  48          1HD1      LEU  48  13.379  -4.671   0.383
  406   HD12  LEU  48          2HD1      LEU  48  11.833  -5.518   0.388
  407   HD13  LEU  48          3HD1      LEU  48  11.872  -3.755   0.335
  408   HD21  LEU  48          3HD2      LEU  48  14.389  -4.346  -2.174
  409   HD22  LEU  48          1HD2      LEU  48  13.604  -5.722  -2.948
  410   HD23  LEU  48          2HD2      LEU  48  14.177  -5.854  -1.284
  411    H    VAL  49           H        VAL  49   8.187  -5.001  -2.587
  412    HA   VAL  49           HA       VAL  49   7.449  -7.606  -3.649
  413    HB   VAL  49           HB       VAL  49   6.767  -6.585  -1.340
  414   HG11  VAL  49          1HG1      VAL  49   4.565  -5.552  -1.320
  415   HG12  VAL  49          2HG1      VAL  49   4.550  -5.533  -3.084
  416   HG13  VAL  49          3HG1      VAL  49   5.727  -4.561  -2.201
  417   HG21  VAL  49          3HG2      VAL  49   4.649  -7.943  -1.426
  418   HG22  VAL  49          1HG2      VAL  49   6.112  -8.778  -1.946
  419   HG23  VAL  49          2HG2      VAL  49   4.967  -8.177  -3.144
  420    H    ILE  50           H        ILE  50   6.433  -4.225  -4.005
  421    HA   ILE  50           HA       ILE  50   4.747  -4.951  -6.277
  422    HB   ILE  50           HB       ILE  50   5.162  -2.156  -5.237
  423   HG12  ILE  50          2HG1      ILE  50   3.242  -4.270  -4.236
  424   HG13  ILE  50          1HG1      ILE  50   4.498  -3.457  -3.313
  425   HG21  ILE  50          1HG2      ILE  50   3.419  -1.563  -6.545
  426   HG22  ILE  50          2HG2      ILE  50   2.567  -3.083  -6.285
  427   HG23  ILE  50          3HG2      ILE  50   3.884  -3.000  -7.453
  428   HD11  ILE  50          3HD1      ILE  50   2.136  -2.044  -4.516
  429   HD12  ILE  50          1HD1      ILE  50   3.309  -1.397  -3.370
  430   HD13  ILE  50          2HD1      ILE  50   2.187  -2.660  -2.865
  431    H    ASN  51           H        ASN  51   7.764  -5.005  -6.344
  432    HA   ASN  51           HA       ASN  51   8.784  -2.890  -7.852
  433    HB2  ASN  51           2HB      ASN  51  10.434  -4.661  -8.694
  434    HB3  ASN  51           1HB      ASN  51  10.360  -4.401  -6.955
  435   HD21  ASN  51          1HD2      ASN  51  11.456  -6.610  -7.325
  436   HD22  ASN  51          2HD2      ASN  51  10.407  -7.979  -7.225
  437    H    GLU  52           H        GLU  52   7.125  -5.839  -8.864
  438    HA   GLU  52           HA       GLU  52   7.493  -5.771 -11.581
  439    HB2  GLU  52           2HB      GLU  52   5.670  -7.019  -9.754
  440    HB3  GLU  52           1HB      GLU  52   4.782  -6.476 -11.171
  441    HG2  GLU  52           2HG      GLU  52   7.049  -7.649 -12.225
  442    HG3  GLU  52           1HG      GLU  52   6.630  -8.685 -10.862
  443    HA   PRO  53           HA       PRO  53   6.024  -1.665 -12.705
  444    HB2  PRO  53           2HB      PRO  53   5.728  -3.211 -15.252
  445    HB3  PRO  53           1HB      PRO  53   6.390  -1.592 -14.993
  446    HG2  PRO  53           2HG      PRO  53   7.998  -3.695 -15.343
  447    HG3  PRO  53           1HG      PRO  53   8.412  -2.399 -14.208
  448    HD2  PRO  53           2HD      PRO  53   7.514  -5.167 -13.659
  449    HD3  PRO  53           1HD      PRO  53   8.485  -4.071 -12.655
  450    H    SER  54           H        SER  54   4.369  -4.700 -13.389
  451    HA   SER  54           HA       SER  54   1.896  -3.563 -14.180
  452    HB2  SER  54           2HB      SER  54   2.213  -6.273 -12.895
  453    HB3  SER  54           1HB      SER  54   1.021  -5.765 -14.090
  454    HG   SER  54           HG       SER  54   2.456  -6.766 -15.328
  455    H    ARG  55           H        ARG  55   3.209  -4.583 -11.073
  456    HA   ARG  55           HA       ARG  55   0.759  -4.163  -9.644
  457    HB2  ARG  55           2HB      ARG  55   3.595  -4.518  -8.664
  458    HB3  ARG  55           1HB      ARG  55   2.176  -4.483  -7.628
  459    HG2  ARG  55           2HG      ARG  55   1.426  -6.540  -8.359
  460    HG3  ARG  55           1HG      ARG  55   2.343  -6.455  -9.864
  461    HD2  ARG  55           2HD      ARG  55   4.419  -6.487  -8.327
  462    HD3  ARG  55           1HD      ARG  55   3.310  -7.084  -7.099
  463    HE   ARG  55           HE       ARG  55   3.986  -8.453  -9.613
  464   HH11  ARG  55          1HH1      ARG  55   2.626  -8.528  -6.389
  465   HH12  ARG  55          2HH1      ARG  55   2.494 -10.253  -6.358
  466   HH21  ARG  55          1HH2      ARG  55   3.805 -10.716  -9.561
  467   HH22  ARG  55          2HH2      ARG  55   3.159 -11.493  -8.153
  468    H    LEU  56           H        LEU  56   2.955  -2.031 -10.960
  469    HA   LEU  56           HA       LEU  56   3.425  -0.103  -9.050
  470    HB2  LEU  56           2HB      LEU  56   2.965   0.072 -12.006
  471    HB3  LEU  56           1HB      LEU  56   3.241   1.520 -11.058
  472    HG   LEU  56           HG       LEU  56   5.153  -0.811 -11.160
  473   HD11  LEU  56          1HD1      LEU  56   5.009   1.712 -12.779
  474   HD12  LEU  56          2HD1      LEU  56   5.186   0.048 -13.338
  475   HD13  LEU  56          3HD1      LEU  56   6.527   0.851 -12.522
  476   HD21  LEU  56          3HD2      LEU  56   4.969   1.119  -9.268
  477   HD22  LEU  56          1HD2      LEU  56   6.060   1.885 -10.424
  478   HD23  LEU  56          2HD2      LEU  56   6.470   0.317  -9.728
  479    HA   PRO  57           HA       PRO  57  -0.806   2.101 -10.476
  480    HB2  PRO  57           2HB      PRO  57  -2.616  -0.048 -10.898
  481    HB3  PRO  57           1HB      PRO  57  -2.053   1.127 -12.087
  482    HG2  PRO  57           2HG      PRO  57  -1.108  -1.634 -11.561
  483    HG3  PRO  57           1HG      PRO  57  -1.116  -0.714 -13.075
  484    HD2  PRO  57           2HD      PRO  57   1.151  -1.160 -11.728
  485    HD3  PRO  57           1HD      PRO  57   0.867   0.379 -12.564
  486    H    LEU  58           H        LEU  58  -0.392  -0.923  -8.749
  487    HA   LEU  58           HA       LEU  58  -2.559  -0.800  -7.005
  488    HB2  LEU  58           2HB      LEU  58  -0.793  -2.650  -7.341
  489    HB3  LEU  58           1HB      LEU  58   0.151  -1.770  -6.153
  490    HG   LEU  58           HG       LEU  58  -2.129  -1.971  -4.774
  491   HD11  LEU  58          1HD1      LEU  58  -2.723  -4.515  -5.263
  492   HD12  LEU  58          2HD1      LEU  58  -2.272  -4.029  -6.898
  493   HD13  LEU  58          3HD1      LEU  58  -3.564  -3.180  -6.050
  494   HD21  LEU  58          3HD2      LEU  58   0.343  -2.923  -4.487
  495   HD22  LEU  58          1HD2      LEU  58  -0.500  -4.444  -4.784
  496   HD23  LEU  58          2HD2      LEU  58  -0.990  -3.412  -3.441
  497    H    PHE  59           H        PHE  59   0.482   0.921  -6.971
  498    HA   PHE  59           HA       PHE  59   0.633   1.808  -4.363
  499    HB2  PHE  59           2HB      PHE  59   1.494   2.922  -6.989
  500    HB3  PHE  59           1HB      PHE  59   1.548   3.988  -5.590
  501    HD1  PHE  59           2HD      PHE  59   2.701   0.671  -6.803
  502    HD2  PHE  59           1HD      PHE  59   3.353   3.921  -4.135
  503    HE1  PHE  59           2HE      PHE  59   4.866  -0.301  -6.152
  504    HE2  PHE  59           1HE      PHE  59   5.519   2.955  -3.481
  505    HZ   PHE  59           HZ       PHE  59   6.278   0.841  -4.489
  506    H    ASP  60           H        ASP  60  -1.528   2.827  -6.904
  507    HA   ASP  60           HA       ASP  60  -2.390   5.280  -5.962
  508    HB2  ASP  60           2HB      ASP  60  -3.115   3.625  -8.022
  509    HB3  ASP  60           1HB      ASP  60  -4.551   3.584  -7.003
  510    H    ALA  61           H        ALA  61  -3.659   2.071  -5.167
  511    HA   ALA  61           HA       ALA  61  -5.583   3.036  -3.296
  512    HB1  ALA  61           1HB      ALA  61  -6.181   0.835  -2.980
  513    HB2  ALA  61           2HB      ALA  61  -4.535   0.242  -3.206
  514    HB3  ALA  61           3HB      ALA  61  -5.478   0.780  -4.596
  515    H    ILE  62           H        ILE  62  -2.206   2.350  -3.103
  516    HA   ILE  62           HA       ILE  62  -2.079   1.818  -0.309
  517    HB   ILE  62           HB       ILE  62   0.148   2.937  -2.006
  518   HG12  ILE  62          2HG1      ILE  62  -0.744   0.999  -3.158
  519   HG13  ILE  62          1HG1      ILE  62   0.785   0.565  -2.404
  520   HG21  ILE  62          1HG2      ILE  62   0.725   0.959   0.073
  521   HG22  ILE  62          2HG2      ILE  62   0.059   2.475   0.680
  522   HG23  ILE  62          3HG2      ILE  62   1.526   2.484  -0.299
  523   HD11  ILE  62          3HD1      ILE  62  -0.206  -1.121  -1.384
  524   HD12  ILE  62          1HD1      ILE  62  -1.743  -0.670  -2.121
  525   HD13  ILE  62          2HD1      ILE  62  -1.286   0.003  -0.557
  526    H    ARG  63           H        ARG  63  -1.917   4.736  -2.268
  527    HA   ARG  63           HA       ARG  63  -0.934   6.523  -0.366
  528    HB2  ARG  63           2HB      ARG  63  -2.452   6.713  -2.878
  529    HB3  ARG  63           1HB      ARG  63  -2.691   8.066  -1.783
  530    HG2  ARG  63           2HG      ARG  63  -0.780   8.947  -2.453
  531    HG3  ARG  63           1HG      ARG  63   0.084   7.525  -1.864
  532    HD2  ARG  63           2HD      ARG  63   0.626   7.079  -3.973
  533    HD3  ARG  63           1HD      ARG  63  -1.075   6.726  -4.274
  534    HE   ARG  63           HE       ARG  63  -0.546   9.513  -4.456
  535   HH11  ARG  63          1HH1      ARG  63  -0.210   6.506  -6.194
  536   HH12  ARG  63          2HH1      ARG  63  -0.225   7.260  -7.753
  537   HH21  ARG  63          1HH2      ARG  63  -0.567  10.507  -6.505
  538   HH22  ARG  63          2HH2      ARG  63  -0.426   9.532  -7.929
  539    HA   PRO  64           HA       PRO  64  -5.797   7.487   0.556
  540    HB2  PRO  64           2HB      PRO  64  -6.371   4.551   0.302
  541    HB3  PRO  64           1HB      PRO  64  -7.464   5.926   0.096
  542    HG2  PRO  64           2HG      PRO  64  -6.417   4.691  -2.017
  543    HG3  PRO  64           1HG      PRO  64  -6.624   6.451  -1.997
  544    HD2  PRO  64           2HD      PRO  64  -4.149   4.845  -1.808
  545    HD3  PRO  64           1HD      PRO  64  -4.375   6.510  -2.371
  546    H    LEU  65           H        LEU  65  -4.408   4.312   1.426
  547    HA   LEU  65           HA       LEU  65  -5.265   4.401   4.126
  548    HB2  LEU  65           2HB      LEU  65  -2.975   2.838   2.926
  549    HB3  LEU  65           1HB      LEU  65  -3.736   2.527   4.476
  550    HG   LEU  65           HG       LEU  65  -5.809   2.464   2.568
  551   HD11  LEU  65          1HD1      LEU  65  -3.792   0.481   1.666
  552   HD12  LEU  65          2HD1      LEU  65  -3.660   2.133   1.062
  553   HD13  LEU  65          3HD1      LEU  65  -5.139   1.211   0.790
  554   HD21  LEU  65          3HD2      LEU  65  -5.155   1.092   4.747
  555   HD22  LEU  65          1HD2      LEU  65  -4.585  -0.057   3.536
  556   HD23  LEU  65          2HD2      LEU  65  -6.271   0.460   3.538
  557    H    ILE  66           H        ILE  66  -2.352   5.328   2.444
  558    HA   ILE  66           HA       ILE  66  -0.764   5.921   4.698
  559    HB   ILE  66           HB       ILE  66  -0.651   6.482   1.781
  560   HG12  ILE  66          2HG1      ILE  66   1.699   5.688   3.416
  561   HG13  ILE  66          1HG1      ILE  66   0.371   4.535   3.306
  562   HG21  ILE  66          1HG2      ILE  66   0.833   8.079   3.829
  563   HG22  ILE  66          2HG2      ILE  66  -0.068   8.643   2.423
  564   HG23  ILE  66          3HG2      ILE  66   1.475   7.817   2.207
  565   HD11  ILE  66          3HD1      ILE  66   0.584   4.376   0.963
  566   HD12  ILE  66          1HD1      ILE  66   2.216   4.270   1.622
  567   HD13  ILE  66          2HD1      ILE  66   1.657   5.775   0.894
  568    HA   PRO  67           HA       PRO  67  -2.589   9.642   6.281
  569    HB2  PRO  67           2HB      PRO  67   0.240  10.499   6.659
  570    HB3  PRO  67           1HB      PRO  67  -1.090  10.458   7.822
  571    HG2  PRO  67           2HG      PRO  67   0.830   8.617   7.895
  572    HG3  PRO  67           1HG      PRO  67  -0.861   8.183   8.207
  573    HD2  PRO  67           2HD      PRO  67   0.802   7.712   5.774
  574    HD3  PRO  67           1HD      PRO  67  -0.457   6.691   6.498
  575    H    LEU  68           H        LEU  68  -2.786  11.874   5.822
  576    HA   LEU  68           HA       LEU  68  -2.673  12.613   3.169
  577    HB2  LEU  68           2HB      LEU  68  -2.341  14.941   4.880
  578    HB3  LEU  68           1HB      LEU  68  -3.667  14.506   3.823
  579    HG   LEU  68           HG       LEU  68  -4.350  12.895   5.754
  580   HD11  LEU  68          1HD1      LEU  68  -3.596  14.506   7.866
  581   HD12  LEU  68          2HD1      LEU  68  -2.120  14.354   6.914
  582   HD13  LEU  68          3HD1      LEU  68  -2.950  12.909   7.492
  583   HD21  LEU  68          3HD2      LEU  68  -5.906  14.437   6.379
  584   HD22  LEU  68          1HD2      LEU  68  -5.301  15.211   4.913
  585   HD23  LEU  68          2HD2      LEU  68  -4.729  15.745   6.493
  586    H    LYS  69           H        LYS  69  -0.634  14.274   5.575
  587    HA   LYS  69           HA       LYS  69   1.176  15.381   3.830
  588    HB2  LYS  69           2HB      LYS  69   1.908  14.298   6.554
  589    HB3  LYS  69           1HB      LYS  69   2.696  15.609   5.687
  590    HG2  LYS  69           2HG      LYS  69  -0.072  15.623   6.867
  591    HG3  LYS  69           1HG      LYS  69   1.335  16.528   7.428
  592    HD2  LYS  69           2HD      LYS  69   1.360  17.637   5.151
  593    HD3  LYS  69           1HD      LYS  69  -0.224  16.909   4.880
  594    HE2  LYS  69           2HE      LYS  69  -1.223  18.165   6.575
  595    HE3  LYS  69           1HE      LYS  69   0.324  18.549   7.330
  596    HZ1  LYS  69           3HZ      LYS  69   0.700  20.246   5.906
  597    HZ2  LYS  69           1HZ      LYS  69  -0.990  20.259   5.808
  598    HZ3  LYS  69           2HZ      LYS  69  -0.078  19.498   4.603
  599    H    HIS  70           H        HIS  70   1.078  12.123   5.101
  600    HA   HIS  70           HA       HIS  70   3.650  11.314   4.246
  601    HB2  HIS  70           2HB      HIS  70   1.137   9.749   4.839
  602    HB3  HIS  70           1HB      HIS  70   2.676   8.988   4.445
  603    HD1  HIS  70           1HD      HIS  70   3.066   7.924   6.717
  604    HD2  HIS  70           2HD      HIS  70   2.447  12.028   6.918
  605    HE1  HIS  70           1HE      HIS  70   3.643   8.575   9.076
  606    HE2  HIS  70           2HE      HIS  70   3.354  11.077   9.147
  607    H    GLN  71           H        GLN  71   0.481  11.320   2.699
  608    HA   GLN  71           HA       GLN  71   1.126   9.794   0.437
  609    HB2  GLN  71           2HB      GLN  71  -0.917  11.935   0.962
  610    HB3  GLN  71           1HB      GLN  71  -0.743  11.234  -0.641
  611    HG2  GLN  71           2HG      GLN  71  -1.078   8.982   0.439
  612    HG3  GLN  71           1HG      GLN  71  -1.529   9.851   1.905
  613   HE21  GLN  71          1HE2      GLN  71  -2.234  10.282  -1.548
  614   HE22  GLN  71          2HE2      GLN  71  -3.951  10.336  -1.366
  615    H    VAL  72           H        VAL  72   1.340  13.264   1.049
  616    HA   VAL  72           HA       VAL  72   2.159  14.087  -1.492
  617    HB   VAL  72           HB       VAL  72   3.059  15.332   1.107
  618   HG11  VAL  72          1HG1      VAL  72   2.783  17.421  -0.387
  619   HG12  VAL  72          2HG1      VAL  72   2.850  16.276  -1.727
  620   HG13  VAL  72          3HG1      VAL  72   4.205  16.402  -0.606
  621   HG21  VAL  72          3HG2      VAL  72   0.397  15.220  -0.169
  622   HG22  VAL  72          1HG2      VAL  72   0.918  16.799   0.419
  623   HG23  VAL  72          2HG2      VAL  72   0.838  15.429   1.527
  624    H    GLU  73           H        GLU  73   4.176  13.411   1.377
  625    HA   GLU  73           HA       GLU  73   6.638  13.671   0.042
  626    HB2  GLU  73           2HB      GLU  73   5.919  13.368   2.637
  627    HB3  GLU  73           1HB      GLU  73   6.516  11.752   2.290
  628    HG2  GLU  73           2HG      GLU  73   8.517  12.572   2.813
  629    HG3  GLU  73           1HG      GLU  73   8.473  13.324   1.219
  630    H    TYR  74           H        TYR  74   4.499  10.911   0.521
  631    HA   TYR  74           HA       TYR  74   6.173   8.855  -0.309
  632    HB2  TYR  74           2HB      TYR  74   3.754   8.728   0.569
  633    HB3  TYR  74           1HB      TYR  74   3.269   8.993  -1.103
  634    HD1  TYR  74           2HD      TYR  74   4.584   7.370  -2.820
  635    HD2  TYR  74           1HD      TYR  74   3.826   6.547   1.285
  636    HE1  TYR  74           2HE      TYR  74   4.808   4.963  -3.268
  637    HE2  TYR  74           1HE      TYR  74   4.049   4.137   0.848
  638    HH   TYR  74           HH       TYR  74   3.722   2.703  -1.768
  639    H    ASP  75           H        ASP  75   4.255  11.135  -2.175
  640    HA   ASP  75           HA       ASP  75   4.898  10.014  -4.720
  641    HB2  ASP  75           2HB      ASP  75   3.483  12.428  -3.725
  642    HB3  ASP  75           1HB      ASP  75   4.152  12.521  -5.350
  643    H    GLN  76           H        GLN  76   6.304  12.450  -2.626
  644    HA   GLN  76           HA       GLN  76   8.003  13.677  -4.507
  645    HB2  GLN  76           2HB      GLN  76   7.971  13.447  -1.527
  646    HB3  GLN  76           1HB      GLN  76   9.410  14.081  -2.312
  647    HG2  GLN  76           2HG      GLN  76   7.308  15.451  -3.501
  648    HG3  GLN  76           1HG      GLN  76   6.872  15.354  -1.795
  649   HE21  GLN  76          1HE2      GLN  76   9.279  15.493  -0.558
  650   HE22  GLN  76          2HE2      GLN  76  10.027  17.019  -0.873
  651    H    LEU  77           H        LEU  77   8.259  10.700  -2.706
  652    HA   LEU  77           HA       LEU  77  11.046  10.336  -3.444
  653    HB2  LEU  77           2HB      LEU  77   9.110   8.746  -1.784
  654    HB3  LEU  77           1HB      LEU  77  10.671   8.097  -2.251
  655    HG   LEU  77           HG       LEU  77  10.418  10.705  -0.775
  656   HD11  LEU  77          1HD1      LEU  77   9.455   8.453   0.306
  657   HD12  LEU  77          2HD1      LEU  77  10.280   9.699   1.242
  658   HD13  LEU  77          3HD1      LEU  77  11.162   8.265   0.711
  659   HD21  LEU  77          3HD2      LEU  77  12.621   8.816  -1.475
  660   HD22  LEU  77          1HD2      LEU  77  12.749   9.814  -0.026
  661   HD23  LEU  77          2HD2      LEU  77  12.563  10.574  -1.607
  662    H    THR  78           H        THR  78   7.874   9.043  -4.236
  663    HA   THR  78           HA       THR  78   8.965   7.063  -6.041
  664    HB   THR  78           HB       THR  78   6.471   6.771  -6.610
  665    HG1  THR  78           1HG      THR  78   5.034   7.757  -5.302
  666   HG21  THR  78          3HG2      THR  78   6.335   6.200  -3.839
  667   HG22  THR  78          1HG2      THR  78   7.971   5.855  -4.398
  668   HG23  THR  78          2HG2      THR  78   6.591   5.092  -5.188
  669    HA   PRO  79           HA       PRO  79   9.002   9.383  -9.778
  670    HB2  PRO  79           2HB      PRO  79   7.851   7.646 -11.560
  671    HB3  PRO  79           1HB      PRO  79   9.515   7.509 -10.984
  672    HG2  PRO  79           2HG      PRO  79   7.066   6.057 -10.066
  673    HG3  PRO  79           1HG      PRO  79   8.702   5.432 -10.337
  674    HD2  PRO  79           2HD      PRO  79   7.786   5.977  -7.868
  675    HD3  PRO  79           1HD      PRO  79   9.485   6.242  -8.314
  676    H    ARG  80           H        ARG  80   7.767  10.887 -10.765
  677    HA   ARG  80           HA       ARG  80   4.891  10.832 -10.218
  678    HB2  ARG  80           2HB      ARG  80   4.924  13.216 -10.711
  679    HB3  ARG  80           1HB      ARG  80   6.153  12.825  -9.515
  680    HG2  ARG  80           2HG      ARG  80   7.636  12.632 -11.731
  681    HG3  ARG  80           1HG      ARG  80   6.439  13.805 -12.285
  682    HD2  ARG  80           2HD      ARG  80   7.215  15.427 -10.928
  683    HD3  ARG  80           1HD      ARG  80   7.526  14.307  -9.601
  684    HE   ARG  80           HE       ARG  80   9.692  14.117 -10.317
  685   HH11  ARG  80          1HH1      ARG  80   7.787  15.556 -12.862
  686   HH12  ARG  80          2HH1      ARG  80   9.159  15.923 -13.853
  687   HH21  ARG  80          1HH2      ARG  80  11.498  14.598 -11.618
  688   HH22  ARG  80          2HH2      ARG  80  11.267  15.379 -13.148
  Start of MODEL    3
    1    H1   MET   1           1HT      MET   1 -12.629   7.295  10.994
    2    H2   MET   1           2HT      MET   1 -10.969   7.536  11.354
    3    H3   MET   1           3HT      MET   1 -12.168   7.949  12.511
    4    HA   MET   1           HA       MET   1 -10.922   5.846  12.886
    5    HB2  MET   1           2HB      MET   1 -13.425   6.680  13.521
    6    HB3  MET   1           1HB      MET   1 -13.797   5.177  12.686
    7    HG2  MET   1           2HG      MET   1 -11.990   4.163  14.243
    8    HG3  MET   1           1HG      MET   1 -12.268   5.609  15.212
    9    HE1  MET   1           2HE      MET   1 -12.620   3.128  16.722
   10    HE2  MET   1           3HE      MET   1 -12.994   2.088  15.349
   11    HE3  MET   1           1HE      MET   1 -14.155   2.263  16.664
   12    H    ASP   2           H        ASP   2 -13.678   5.375  10.666
   13    HA   ASP   2           HA       ASP   2 -12.326   3.025   9.567
   14    HB2  ASP   2           2HB      ASP   2 -14.700   2.858  10.340
   15    HB3  ASP   2           1HB      ASP   2 -15.151   3.986   9.064
   16    H    ARG   3           H        ARG   3 -11.419   3.010   7.614
   17    HA   ARG   3           HA       ARG   3 -11.360   5.431   6.060
   18    HB2  ARG   3           2HB      ARG   3 -10.067   2.728   5.741
   19    HB3  ARG   3           1HB      ARG   3  -9.905   3.991   4.528
   20    HG2  ARG   3           2HG      ARG   3  -8.800   5.434   6.081
   21    HG3  ARG   3           1HG      ARG   3  -9.120   4.321   7.413
   22    HD2  ARG   3           2HD      ARG   3  -7.639   3.291   5.051
   23    HD3  ARG   3           1HD      ARG   3  -6.788   4.372   6.155
   24    HE   ARG   3           HE       ARG   3  -7.878   2.554   7.820
   25   HH11  ARG   3          1HH1      ARG   3  -5.949   2.251   4.929
   26   HH12  ARG   3          2HH1      ARG   3  -5.217   0.762   5.423
   27   HH21  ARG   3          1HH2      ARG   3  -6.916   0.596   8.473
   28   HH22  ARG   3          2HH2      ARG   3  -5.766  -0.179   7.434
   29    H    LYS   4           H        LYS   4 -11.436   5.014   3.536
   30    HA   LYS   4           HA       LYS   4 -13.919   3.539   2.947
   31    HB2  LYS   4           2HB      LYS   4 -14.313   5.971   2.973
   32    HB3  LYS   4           1HB      LYS   4 -13.050   6.186   1.768
   33    HG2  LYS   4           2HG      LYS   4 -15.159   4.285   1.024
   34    HG3  LYS   4           1HG      LYS   4 -15.687   5.959   1.212
   35    HD2  LYS   4           2HD      LYS   4 -13.279   5.203  -0.423
   36    HD3  LYS   4           1HD      LYS   4 -14.906   5.247  -1.105
   37    HE2  LYS   4           2HE      LYS   4 -14.962   7.639  -0.049
   38    HE3  LYS   4           1HE      LYS   4 -13.206   7.485  -0.091
   39    HZ1  LYS   4           3HZ      LYS   4 -14.426   8.516  -2.093
   40    HZ2  LYS   4           1HZ      LYS   4 -14.795   6.916  -2.505
   41    HZ3  LYS   4           2HZ      LYS   4 -13.182   7.407  -2.382
   42    H    VAL   5           H        VAL   5 -10.993   4.957   1.504
   43    HA   VAL   5           HA       VAL   5 -11.130   3.577  -0.940
   44    HB   VAL   5           HB       VAL   5  -8.564   4.415   0.405
   45   HG11  VAL   5          1HG1      VAL   5  -7.617   3.858  -1.523
   46   HG12  VAL   5          2HG1      VAL   5  -8.690   4.956  -2.391
   47   HG13  VAL   5          3HG1      VAL   5  -9.176   3.283  -2.116
   48   HG21  VAL   5          3HG2      VAL   5  -9.426   6.478   0.504
   49   HG22  VAL   5          1HG2      VAL   5 -10.801   6.050  -0.516
   50   HG23  VAL   5          2HG2      VAL   5  -9.260   6.490  -1.251
   51    H    ALA   6           H        ALA   6 -10.077   2.589   2.214
   52    HA   ALA   6           HA       ALA   6  -8.345   0.512   1.659
   53    HB1  ALA   6           1HB      ALA   6  -8.594  -0.101   3.835
   54    HB2  ALA   6           2HB      ALA   6 -10.349   0.062   3.796
   55    HB3  ALA   6           3HB      ALA   6  -9.333   1.498   3.919
   56    H    ARG   7           H        ARG   7 -11.873   0.518   1.606
   57    HA   ARG   7           HA       ARG   7 -12.257  -2.235   1.234
   58    HB2  ARG   7           2HB      ARG   7 -14.076  -0.699   1.839
   59    HB3  ARG   7           1HB      ARG   7 -13.963   0.058   0.257
   60    HG2  ARG   7           2HG      ARG   7 -14.562  -2.116  -0.772
   61    HG3  ARG   7           1HG      ARG   7 -14.797  -2.772   0.848
   62    HD2  ARG   7           2HD      ARG   7 -16.344  -0.617   1.063
   63    HD3  ARG   7           1HD      ARG   7 -16.445  -0.837  -0.683
   64    HE   ARG   7           HE       ARG   7 -16.933  -3.235   0.832
   65   HH11  ARG   7          1HH1      ARG   7 -18.368  -0.364  -0.539
   66   HH12  ARG   7          2HH1      ARG   7 -19.958  -1.045  -0.616
   67   HH21  ARG   7          1HH2      ARG   7 -19.023  -4.133   0.729
   68   HH22  ARG   7          2HH2      ARG   7 -20.330  -3.185   0.103
   69    H    GLU   8           H        GLU   8 -12.204   0.378  -1.163
   70    HA   GLU   8           HA       GLU   8 -12.358  -1.279  -3.429
   71    HB2  GLU   8           2HB      GLU   8 -12.325   1.446  -2.963
   72    HB3  GLU   8           1HB      GLU   8 -10.823   1.176  -3.835
   73    HG2  GLU   8           2HG      GLU   8 -12.169  -0.045  -5.566
   74    HG3  GLU   8           1HG      GLU   8 -13.614   0.527  -4.735
   75    H    PHE   9           H        PHE   9  -9.693  -0.282  -1.419
   76    HA   PHE   9           HA       PHE   9  -7.583  -0.956  -3.172
   77    HB2  PHE   9           2HB      PHE   9  -7.240   0.464  -1.208
   78    HB3  PHE   9           1HB      PHE   9  -7.642  -0.881  -0.147
   79    HD1  PHE   9           1HD      PHE   9  -5.492  -0.867  -3.177
   80    HD2  PHE   9           2HD      PHE   9  -5.694  -1.251   1.057
   81    HE1  PHE   9           1HE      PHE   9  -3.124  -1.529  -3.129
   82    HE2  PHE   9           2HE      PHE   9  -3.325  -1.914   1.113
   83    HZ   PHE   9           HZ       PHE   9  -2.037  -2.053  -0.982
   84    H    ARG  10           H        ARG  10  -9.023  -2.752  -0.449
   85    HA   ARG  10           HA       ARG  10  -7.522  -5.080  -0.690
   86    HB2  ARG  10           2HB      ARG  10 -10.321  -4.593   0.312
   87    HB3  ARG  10           1HB      ARG  10  -9.582  -6.187   0.360
   88    HG2  ARG  10           2HG      ARG  10  -7.641  -4.835   1.559
   89    HG3  ARG  10           1HG      ARG  10  -8.986  -3.767   1.960
   90    HD2  ARG  10           2HD      ARG  10  -9.947  -6.337   2.443
   91    HD3  ARG  10           1HD      ARG  10  -8.292  -6.351   3.052
   92    HE   ARG  10           HE       ARG  10  -9.860  -4.075   3.880
   93   HH11  ARG  10          1HH1      ARG  10  -8.890  -7.343   4.632
   94   HH12  ARG  10          2HH1      ARG  10  -9.214  -7.180   6.326
   95   HH21  ARG  10          1HH2      ARG  10 -10.287  -3.862   6.105
   96   HH22  ARG  10          2HH2      ARG  10 -10.007  -5.206   7.162
   97    H    HIS  11           H        HIS  11 -10.527  -4.149  -2.307
   98    HA   HIS  11           HA       HIS  11 -11.022  -6.597  -3.595
   99    HB2  HIS  11           2HB      HIS  11 -11.851  -3.762  -4.118
  100    HB3  HIS  11           1HB      HIS  11 -12.255  -5.027  -5.273
  101    HD1  HIS  11           1HD      HIS  11 -13.178  -7.290  -3.569
  102    HD2  HIS  11           2HD      HIS  11 -14.094  -3.335  -2.682
  103    HE1  HIS  11           1HE      HIS  11 -15.230  -7.385  -2.121
  104    HE2  HIS  11           2HE      HIS  11 -15.822  -4.976  -1.674
  105    H    LYS  12           H        LYS  12  -9.413  -3.657  -4.821
  106    HA   LYS  12           HA       LYS  12  -8.758  -4.746  -7.337
  107    HB2  LYS  12           2HB      LYS  12  -7.248  -2.842  -7.573
  108    HB3  LYS  12           1HB      LYS  12  -8.798  -2.336  -6.914
  109    HG2  LYS  12           2HG      LYS  12  -7.842  -2.225  -4.690
  110    HG3  LYS  12           1HG      LYS  12  -6.293  -2.801  -5.308
  111    HD2  LYS  12           2HD      LYS  12  -6.177  -0.416  -5.066
  112    HD3  LYS  12           1HD      LYS  12  -6.214  -0.800  -6.787
  113    HE2  LYS  12           2HE      LYS  12  -8.003   0.489  -7.045
  114    HE3  LYS  12           1HE      LYS  12  -8.893  -0.499  -5.888
  115    HZ1  LYS  12           3HZ      LYS  12  -8.927   1.695  -5.071
  116    HZ2  LYS  12           1HZ      LYS  12  -7.271   1.918  -5.341
  117    HZ3  LYS  12           2HZ      LYS  12  -7.795   0.877  -4.117
  118    H    VAL  13           H        VAL  13  -6.916  -4.540  -4.308
  119    HA   VAL  13           HA       VAL  13  -4.453  -5.437  -5.197
  120    HB   VAL  13           HB       VAL  13  -5.777  -6.048  -2.549
  121   HG11  VAL  13          1HG1      VAL  13  -3.539  -6.433  -1.687
  122   HG12  VAL  13          2HG1      VAL  13  -2.852  -6.133  -3.282
  123   HG13  VAL  13          3HG1      VAL  13  -3.877  -7.542  -3.015
  124   HG21  VAL  13          3HG2      VAL  13  -3.666  -4.018  -2.695
  125   HG22  VAL  13          1HG2      VAL  13  -5.207  -3.996  -1.839
  126   HG23  VAL  13          2HG2      VAL  13  -5.146  -3.599  -3.556
  127    H    ASP  14           H        ASP  14  -7.152  -7.418  -3.961
  128    HA   ASP  14           HA       ASP  14  -5.864  -9.895  -4.462
  129    HB2  ASP  14           2HB      ASP  14  -8.058 -10.900  -4.041
  130    HB3  ASP  14           1HB      ASP  14  -7.696  -9.666  -2.837
  131    H    PHE  15           H        PHE  15  -7.829  -7.765  -6.396
  132    HA   PHE  15           HA       PHE  15  -8.505  -9.626  -8.427
  133    HB2  PHE  15           2HB      PHE  15  -9.611  -7.382  -7.965
  134    HB3  PHE  15           1HB      PHE  15  -8.241  -6.641  -8.786
  135    HD1  PHE  15           1HD      PHE  15 -10.251  -9.689  -9.539
  136    HD2  PHE  15           2HD      PHE  15  -8.953  -5.844 -10.820
  137    HE1  PHE  15           1HE      PHE  15 -11.367 -10.038 -11.703
  138    HE2  PHE  15           2HE      PHE  15 -10.068  -6.186 -12.986
  139    HZ   PHE  15           HZ       PHE  15 -11.276  -8.284 -13.430
  140    H    LEU  16           H        LEU  16  -5.955  -7.150  -8.209
  141    HA   LEU  16           HA       LEU  16  -4.779  -8.005 -10.698
  142    HB2  LEU  16           2HB      LEU  16  -3.068  -6.305 -10.220
  143    HB3  LEU  16           1HB      LEU  16  -4.701  -5.668 -10.156
  144    HG   LEU  16           HG       LEU  16  -4.103  -6.427  -7.522
  145   HD11  LEU  16          1HD1      LEU  16  -1.864  -4.716  -8.547
  146   HD12  LEU  16          2HD1      LEU  16  -1.711  -6.469  -8.423
  147   HD13  LEU  16          3HD1      LEU  16  -2.025  -5.506  -6.979
  148   HD21  LEU  16          3HD2      LEU  16  -3.842  -3.630  -8.565
  149   HD22  LEU  16          1HD2      LEU  16  -4.521  -4.189  -7.036
  150   HD23  LEU  16          2HD2      LEU  16  -5.400  -4.454  -8.542
  151    H    ILE  17           H        ILE  17  -4.214  -8.513  -7.280
  152    HA   ILE  17           HA       ILE  17  -1.726  -9.935  -7.847
  153    HB   ILE  17           HB       ILE  17  -2.985  -9.416  -5.153
  154   HG12  ILE  17          2HG1      ILE  17  -0.872  -7.855  -6.654
  155   HG13  ILE  17          1HG1      ILE  17  -2.491  -7.299  -6.243
  156   HG21  ILE  17          1HG2      ILE  17  -0.130  -9.687  -5.161
  157   HG22  ILE  17          2HG2      ILE  17  -0.868 -11.089  -5.936
  158   HG23  ILE  17          3HG2      ILE  17  -1.339 -10.636  -4.298
  159   HD11  ILE  17          3HD1      ILE  17  -1.645  -7.839  -3.793
  160   HD12  ILE  17          1HD1      ILE  17  -1.323  -6.296  -4.584
  161   HD13  ILE  17          2HD1      ILE  17  -0.078  -7.546  -4.550
  162    H    GLU  18           H        GLU  18  -4.186 -10.739  -5.431
  163    HA   GLU  18           HA       GLU  18  -5.397 -12.628  -5.045
  164    HB2  GLU  18           2HB      GLU  18  -5.436 -12.444  -7.769
  165    HB3  GLU  18           1HB      GLU  18  -4.714 -14.030  -7.539
  166    HG2  GLU  18           2HG      GLU  18  -6.804 -14.110  -5.793
  167    HG3  GLU  18           1HG      GLU  18  -7.456 -13.126  -7.101
  168    H    ASN  19           H        ASN  19  -2.148 -12.489  -5.333
  169    HA   ASN  19           HA       ASN  19  -1.428 -15.241  -5.256
  170    HB2  ASN  19           2HB      ASN  19  -0.049 -12.645  -4.895
  171    HB3  ASN  19           1HB      ASN  19   0.693 -14.032  -4.103
  172   HD21  ASN  19          1HD2      ASN  19   1.915 -12.616  -6.155
  173   HD22  ASN  19          2HD2      ASN  19   2.051 -13.644  -7.536
  174    H    ASP  20           H        ASP  20  -2.744 -13.101  -2.940
  175    HA   ASP  20           HA       ASP  20  -3.401 -13.455  -0.787
  176    HB2  ASP  20           2HB      ASP  20  -3.095 -16.051  -1.758
  177    HB3  ASP  20           1HB      ASP  20  -2.160 -16.030  -0.265
  178    H    ALA  21           H        ALA  21  -0.269 -15.098  -1.147
  179    HA   ALA  21           HA       ALA  21   0.795 -14.316   1.308
  180    HB1  ALA  21           1HB      ALA  21   3.007 -14.815   0.282
  181    HB2  ALA  21           2HB      ALA  21   2.195 -14.997  -1.272
  182    HB3  ALA  21           3HB      ALA  21   1.810 -16.091   0.056
  183    H    GLU  22           H        GLU  22   0.808 -12.695  -1.814
  184    HA   GLU  22           HA       GLU  22   2.622 -10.636  -1.118
  185    HB2  GLU  22           2HB      GLU  22   0.572 -10.993  -3.276
  186    HB3  GLU  22           1HB      GLU  22   1.348  -9.430  -3.058
  187    HG2  GLU  22           2HG      GLU  22   3.391 -11.374  -3.053
  188    HG3  GLU  22           1HG      GLU  22   2.315 -11.749  -4.399
  189    H    LYS  23           H        LYS  23  -0.854 -11.004  -0.807
  190    HA   LYS  23           HA       LYS  23  -1.426  -8.317  -0.114
  191    HB2  LYS  23           2HB      LYS  23  -2.857 -10.871  -0.170
  192    HB3  LYS  23           1HB      LYS  23  -3.385  -9.808   1.129
  193    HG2  LYS  23           2HG      LYS  23  -3.965  -8.086  -0.404
  194    HG3  LYS  23           1HG      LYS  23  -3.198  -8.940  -1.744
  195    HD2  LYS  23           2HD      LYS  23  -5.554  -9.997  -0.188
  196    HD3  LYS  23           1HD      LYS  23  -5.686  -9.116  -1.712
  197    HE2  LYS  23           2HE      LYS  23  -4.444 -11.804  -1.204
  198    HE3  LYS  23           1HE      LYS  23  -5.776 -11.400  -2.285
  199    HZ1  LYS  23           3HZ      LYS  23  -4.067  -9.995  -3.510
  200    HZ2  LYS  23           1HZ      LYS  23  -3.943 -11.676  -3.673
  201    HZ3  LYS  23           2HZ      LYS  23  -2.895 -10.847  -2.637
  202    H    ASP  24           H        ASP  24  -0.468 -11.145   1.733
  203    HA   ASP  24           HA       ASP  24  -0.927  -9.966   4.294
  204    HB2  ASP  24           2HB      ASP  24  -0.519 -12.511   3.478
  205    HB3  ASP  24           1HB      ASP  24   1.099 -12.116   4.047
  206    H    TYR  25           H        TYR  25   1.752 -10.122   2.055
  207    HA   TYR  25           HA       TYR  25   3.759  -9.188   3.830
  208    HB2  TYR  25           2HB      TYR  25   3.843 -10.262   1.373
  209    HB3  TYR  25           1HB      TYR  25   3.958  -8.562   0.929
  210    HD1  TYR  25           2HD      TYR  25   5.382 -10.345   3.875
  211    HD2  TYR  25           1HD      TYR  25   6.162  -8.261   0.251
  212    HE1  TYR  25           2HE      TYR  25   7.788 -10.384   4.379
  213    HE2  TYR  25           1HE      TYR  25   8.572  -8.294   0.743
  214    HH   TYR  25           HH       TYR  25  10.076 -10.123   2.447
  215    H    LEU  26           H        LEU  26   1.850  -7.544   1.310
  216    HA   LEU  26           HA       LEU  26   2.836  -4.964   1.804
  217    HB2  LEU  26           2HB      LEU  26   1.157  -4.180   0.383
  218    HB3  LEU  26           1HB      LEU  26   1.470  -5.807  -0.188
  219    HG   LEU  26           HG       LEU  26  -0.543  -6.415   1.398
  220   HD11  LEU  26          1HD1      LEU  26  -0.712  -3.467   1.083
  221   HD12  LEU  26          2HD1      LEU  26  -1.172  -4.489   2.444
  222   HD13  LEU  26          3HD1      LEU  26  -2.205  -4.404   1.016
  223   HD21  LEU  26          3HD2      LEU  26  -1.953  -6.415  -0.479
  224   HD22  LEU  26          1HD2      LEU  26  -0.321  -6.568  -1.135
  225   HD23  LEU  26          2HD2      LEU  26  -1.151  -5.011  -1.185
  226    H    TYR  27           H        TYR  27   0.245  -6.810   3.281
  227    HA   TYR  27           HA       TYR  27  -0.896  -4.647   4.731
  228    HB2  TYR  27           2HB      TYR  27  -1.268  -7.537   4.549
  229    HB3  TYR  27           1HB      TYR  27  -1.479  -6.932   6.189
  230    HD1  TYR  27           1HD      TYR  27  -2.600  -6.382   2.682
  231    HD2  TYR  27           2HD      TYR  27  -3.491  -5.923   6.817
  232    HE1  TYR  27           1HE      TYR  27  -4.872  -5.635   2.105
  233    HE2  TYR  27           2HE      TYR  27  -5.764  -5.177   6.252
  234    HH   TYR  27           HH       TYR  27  -6.827  -4.016   4.058
  235    H    ASP  28           H        ASP  28   1.665  -6.955   5.367
  236    HA   ASP  28           HA       ASP  28   1.970  -6.439   8.125
  237    HB2  ASP  28           2HB      ASP  28   3.009  -8.294   6.524
  238    HB3  ASP  28           1HB      ASP  28   4.349  -7.151   6.469
  239    H    VAL  29           H        VAL  29   3.445  -5.008   5.246
  240    HA   VAL  29           HA       VAL  29   5.252  -3.315   6.602
  241    HB   VAL  29           HB       VAL  29   3.990  -2.846   3.895
  242   HG11  VAL  29          1HG1      VAL  29   5.959  -1.515   3.426
  243   HG12  VAL  29          2HG1      VAL  29   6.607  -1.863   5.029
  244   HG13  VAL  29          3HG1      VAL  29   5.143  -0.896   4.861
  245   HG21  VAL  29          3HG2      VAL  29   5.933  -3.995   2.968
  246   HG22  VAL  29          1HG2      VAL  29   5.016  -5.064   4.028
  247   HG23  VAL  29          2HG2      VAL  29   6.519  -4.338   4.596
  248    H    LEU  30           H        LEU  30   1.964  -2.786   5.373
  249    HA   LEU  30           HA       LEU  30   1.789  -0.064   6.084
  250    HB2  LEU  30           2HB      LEU  30  -0.146  -2.209   5.378
  251    HB3  LEU  30           1HB      LEU  30  -0.778  -0.769   6.155
  252    HG   LEU  30           HG       LEU  30   0.852  -0.753   3.613
  253   HD11  LEU  30          1HD1      LEU  30  -2.128  -0.566   4.035
  254   HD12  LEU  30          2HD1      LEU  30  -1.253  -1.849   3.198
  255   HD13  LEU  30          3HD1      LEU  30  -1.299  -0.223   2.516
  256   HD21  LEU  30          3HD2      LEU  30  -0.479   1.570   3.637
  257   HD22  LEU  30          1HD2      LEU  30   1.130   1.376   4.332
  258   HD23  LEU  30          2HD2      LEU  30  -0.292   1.329   5.374
  259    H    ARG  31           H        ARG  31   0.760  -3.015   7.779
  260    HA   ARG  31           HA       ARG  31  -0.419  -1.826   9.999
  261    HB2  ARG  31           2HB      ARG  31   0.309  -4.437   9.204
  262    HB3  ARG  31           1HB      ARG  31   1.005  -4.192  10.800
  263    HG2  ARG  31           2HG      ARG  31  -0.973  -4.398  11.784
  264    HG3  ARG  31           1HG      ARG  31  -1.714  -3.228  10.693
  265    HD2  ARG  31           2HD      ARG  31  -1.251  -5.619   9.231
  266    HD3  ARG  31           1HD      ARG  31  -2.024  -6.056  10.754
  267    HE   ARG  31           HE       ARG  31  -3.956  -5.145   9.967
  268   HH11  ARG  31          1HH1      ARG  31  -1.298  -3.808   8.144
  269   HH12  ARG  31          2HH1      ARG  31  -2.320  -2.942   7.048
  270   HH21  ARG  31          1HH2      ARG  31  -5.304  -4.007   8.525
  271   HH22  ARG  31          2HH2      ARG  31  -4.595  -3.054   7.263
  272    H    MET  32           H        MET  32   2.947  -2.786   9.497
  273    HA   MET  32           HA       MET  32   3.807  -1.787  12.046
  274    HB2  MET  32           2HB      MET  32   5.077  -3.066   9.694
  275    HB3  MET  32           1HB      MET  32   6.112  -2.014  10.651
  276    HG2  MET  32           2HG      MET  32   4.483  -3.970  12.144
  277    HG3  MET  32           1HG      MET  32   5.786  -4.618  11.150
  278    HE1  MET  32           3HE      MET  32   7.819  -3.012  10.923
  279    HE2  MET  32           1HE      MET  32   8.817  -3.772  12.163
  280    HE3  MET  32           2HE      MET  32   8.494  -2.039  12.229
  281    H    TYR  33           H        TYR  33   3.544  -0.550   8.803
  282    HA   TYR  33           HA       TYR  33   5.273   1.643   8.966
  283    HB2  TYR  33           2HB      TYR  33   4.409   1.017   6.830
  284    HB3  TYR  33           1HB      TYR  33   2.746   1.175   7.381
  285    HD1  TYR  33           2HD      TYR  33   5.800   3.338   7.228
  286    HD2  TYR  33           1HD      TYR  33   1.614   2.995   6.554
  287    HE1  TYR  33           2HE      TYR  33   5.751   5.651   6.392
  288    HE2  TYR  33           1HE      TYR  33   1.553   5.306   5.715
  289    HH   TYR  33           HH       TYR  33   3.966   6.934   4.638
  290    H    HIS  34           H        HIS  34   2.003   1.169  10.125
  291    HA   HIS  34           HA       HIS  34   1.496   3.917  10.714
  292    HB2  HIS  34           2HB      HIS  34  -0.220   2.032  10.383
  293    HB3  HIS  34           1HB      HIS  34   0.138   1.580  12.046
  294    HD1  HIS  34           1HD      HIS  34  -0.816   3.052  13.900
  295    HD2  HIS  34           2HD      HIS  34  -1.594   4.490  10.080
  296    HE1  HIS  34           1HE      HIS  34  -2.510   4.885  14.203
  297    HE2  HIS  34           2HE      HIS  34  -3.031   5.679  11.870
  298    H    GLN  35           H        GLN  35   2.655   1.146  12.578
  299    HA   GLN  35           HA       GLN  35   2.752   2.570  15.055
  300    HB2  GLN  35           2HB      GLN  35   3.825  -0.081  14.128
  301    HB3  GLN  35           1HB      GLN  35   4.213   0.555  15.721
  302    HG2  GLN  35           2HG      GLN  35   1.590   0.823  15.860
  303    HG3  GLN  35           1HG      GLN  35   1.640  -0.463  14.654
  304   HE21  GLN  35          1HE2      GLN  35   1.800  -2.477  15.354
  305   HE22  GLN  35          2HE2      GLN  35   2.248  -2.959  16.952
  306    H    THR  36           H        THR  36   5.137   1.635  12.623
  307    HA   THR  36           HA       THR  36   7.320   2.862  14.037
  308    HB   THR  36           HB       THR  36   8.680   2.213  12.170
  309    HG1  THR  36           1HG      THR  36   6.283   1.627  10.778
  310   HG21  THR  36          3HG2      THR  36   8.388   0.249  13.289
  311   HG22  THR  36          1HG2      THR  36   7.743  -0.186  11.707
  312   HG23  THR  36          2HG2      THR  36   6.646   0.228  13.025
  313    H    MET  37           H        MET  37   5.235   3.710  11.326
  314    HA   MET  37           HA       MET  37   4.853   5.669  10.241
  315    HB2  MET  37           2HB      MET  37   6.041   6.694  12.811
  316    HB3  MET  37           1HB      MET  37   5.534   7.787  11.533
  317    HG2  MET  37           2HG      MET  37   3.529   5.790  12.270
  318    HG3  MET  37           1HG      MET  37   3.959   6.906  13.565
  319    HE1  MET  37           3HE      MET  37   1.416   6.205  12.210
  320    HE2  MET  37           1HE      MET  37   0.899   7.129  10.799
  321    HE3  MET  37           2HE      MET  37   0.614   7.762  12.421
  322    H    ASP  38           H        ASP  38   6.802   4.445   9.062
  323    HA   ASP  38           HA       ASP  38   8.843   6.510   8.584
  324    HB2  ASP  38           2HB      ASP  38   9.191   3.667   9.258
  325    HB3  ASP  38           1HB      ASP  38  10.132   4.203   7.869
  326    H    VAL  39           H        VAL  39   7.948   7.351   6.751
  327    HA   VAL  39           HA       VAL  39   6.712   5.897   4.696
  328    HB   VAL  39           HB       VAL  39   8.170   8.519   4.362
  329   HG11  VAL  39          1HG1      VAL  39   6.191   6.986   2.763
  330   HG12  VAL  39          2HG1      VAL  39   7.556   7.972   2.235
  331   HG13  VAL  39          3HG1      VAL  39   6.064   8.745   2.772
  332   HG21  VAL  39          3HG2      VAL  39   6.791   9.162   6.045
  333   HG22  VAL  39          1HG2      VAL  39   5.647   7.852   5.757
  334   HG23  VAL  39          2HG2      VAL  39   5.631   9.279   4.721
  335    H    ALA  40           H        ALA  40  10.071   6.635   5.322
  336    HA   ALA  40           HA       ALA  40  11.099   6.036   2.761
  337    HB1  ALA  40           1HB      ALA  40  12.702   7.109   3.936
  338    HB2  ALA  40           2HB      ALA  40  13.188   5.464   4.345
  339    HB3  ALA  40           3HB      ALA  40  12.207   6.400   5.473
  340    H    VAL  41           H        VAL  41  10.527   4.051   5.631
  341    HA   VAL  41           HA       VAL  41  11.698   1.689   4.530
  342    HB   VAL  41           HB       VAL  41   9.710   1.865   6.796
  343   HG11  VAL  41          1HG1      VAL  41   9.966  -0.388   6.070
  344   HG12  VAL  41          2HG1      VAL  41  10.915  -0.205   7.544
  345   HG13  VAL  41          3HG1      VAL  41  11.719  -0.223   5.973
  346   HG21  VAL  41          3HG2      VAL  41  12.687   1.797   7.138
  347   HG22  VAL  41          1HG2      VAL  41  11.445   2.258   8.300
  348   HG23  VAL  41          2HG2      VAL  41  11.827   3.324   6.950
  349    H    LEU  42           H        LEU  42   8.448   3.015   4.696
  350    HA   LEU  42           HA       LEU  42   7.009   0.762   3.878
  351    HB2  LEU  42           2HB      LEU  42   5.935   2.750   4.782
  352    HB3  LEU  42           1HB      LEU  42   6.443   3.685   3.389
  353    HG   LEU  42           HG       LEU  42   5.047   1.721   2.157
  354   HD11  LEU  42          1HD1      LEU  42   3.402   0.802   3.380
  355   HD12  LEU  42          2HD1      LEU  42   3.158   2.258   4.343
  356   HD13  LEU  42          3HD1      LEU  42   4.473   1.149   4.736
  357   HD21  LEU  42          3HD2      LEU  42   4.606   3.920   1.563
  358   HD22  LEU  42          1HD2      LEU  42   4.239   4.400   3.220
  359   HD23  LEU  42          2HD2      LEU  42   3.096   3.409   2.314
  360    H    VAL  43           H        VAL  43   8.445   3.383   1.959
  361    HA   VAL  43           HA       VAL  43   7.579   2.504  -0.557
  362    HB   VAL  43           HB       VAL  43  10.172   3.948  -0.017
  363   HG11  VAL  43          1HG1      VAL  43   9.216   5.014  -2.278
  364   HG12  VAL  43          2HG1      VAL  43   8.521   3.399  -2.406
  365   HG13  VAL  43          3HG1      VAL  43  10.267   3.597  -2.251
  366   HG21  VAL  43          3HG2      VAL  43   9.024   5.667   0.791
  367   HG22  VAL  43          1HG2      VAL  43   7.512   4.779   0.597
  368   HG23  VAL  43          2HG2      VAL  43   8.130   5.768  -0.726
  369    H    GLY  44           H        GLY  44  10.477   1.717   1.313
  370    HA2  GLY  44           2HA      GLY  44  11.873   0.293  -0.645
  371    HA3  GLY  44           1HA      GLY  44  12.018   0.032   1.086
  372    H    ASP  45           H        ASP  45   9.848  -1.091   1.949
  373    HA   ASP  45           HA       ASP  45   9.925  -3.720   1.004
  374    HB2  ASP  45           2HB      ASP  45   8.952  -2.568   3.233
  375    HB3  ASP  45           1HB      ASP  45   7.442  -2.831   2.364
  376    H    LEU  46           H        LEU  46   7.439  -1.220   0.512
  377    HA   LEU  46           HA       LEU  46   5.684  -2.710  -1.044
  378    HB2  LEU  46           2HB      LEU  46   6.299   0.220  -0.895
  379    HB3  LEU  46           1HB      LEU  46   5.148  -0.384  -2.071
  380    HG   LEU  46           HG       LEU  46   4.908  -0.825   0.905
  381   HD11  LEU  46          1HD1      LEU  46   4.724   1.591  -0.074
  382   HD12  LEU  46          2HD1      LEU  46   3.528   1.002   1.080
  383   HD13  LEU  46          3HD1      LEU  46   3.154   1.023  -0.642
  384   HD21  LEU  46          3HD2      LEU  46   3.070  -2.038   0.492
  385   HD22  LEU  46          1HD2      LEU  46   3.752  -2.235  -1.122
  386   HD23  LEU  46          2HD2      LEU  46   2.547  -0.983  -0.820
  387    H    LYS  47           H        LYS  47   8.715  -1.217  -1.892
  388    HA   LYS  47           HA       LYS  47   8.338  -1.318  -4.719
  389    HB2  LYS  47           2HB      LYS  47  10.001   0.127  -3.400
  390    HB3  LYS  47           1HB      LYS  47  11.005  -1.313  -3.319
  391    HG2  LYS  47           2HG      LYS  47  11.882  -0.650  -5.248
  392    HG3  LYS  47           1HG      LYS  47  10.359  -1.136  -5.994
  393    HD2  LYS  47           2HD      LYS  47  10.379   1.007  -6.725
  394    HD3  LYS  47           1HD      LYS  47   9.670   1.310  -5.138
  395    HE2  LYS  47           2HE      LYS  47  11.341   2.804  -4.946
  396    HE3  LYS  47           1HE      LYS  47  12.303   1.385  -4.530
  397    HZ1  LYS  47           3HZ      LYS  47  12.149   2.789  -7.129
  398    HZ2  LYS  47           1HZ      LYS  47  12.777   1.224  -6.994
  399    HZ3  LYS  47           2HZ      LYS  47  13.513   2.504  -6.170
  400    H    LEU  48           H        LEU  48  10.072  -3.365  -2.390
  401    HA   LEU  48           HA       LEU  48  11.117  -5.221  -4.181
  402    HB2  LEU  48           2HB      LEU  48  10.154  -5.773  -1.377
  403    HB3  LEU  48           1HB      LEU  48  11.311  -6.726  -2.285
  404    HG   LEU  48           HG       LEU  48  11.968  -3.864  -1.835
  405   HD11  LEU  48          1HD1      LEU  48  12.784  -5.668   0.338
  406   HD12  LEU  48          2HD1      LEU  48  11.080  -5.212   0.327
  407   HD13  LEU  48          3HD1      LEU  48  12.325  -3.966   0.381
  408   HD21  LEU  48          3HD2      LEU  48  14.084  -4.544  -2.224
  409   HD22  LEU  48          1HD2      LEU  48  13.276  -5.908  -2.994
  410   HD23  LEU  48          2HD2      LEU  48  13.875  -6.057  -1.343
  411    H    VAL  49           H        VAL  49   7.929  -5.065  -2.678
  412    HA   VAL  49           HA       VAL  49   7.136  -7.593  -3.855
  413    HB   VAL  49           HB       VAL  49   6.387  -6.563  -1.563
  414   HG11  VAL  49          1HG1      VAL  49   4.273  -5.451  -3.393
  415   HG12  VAL  49          2HG1      VAL  49   5.444  -4.507  -2.472
  416   HG13  VAL  49          3HG1      VAL  49   4.225  -5.462  -1.630
  417   HG21  VAL  49          3HG2      VAL  49   5.731  -8.752  -2.496
  418   HG22  VAL  49          1HG2      VAL  49   4.401  -7.961  -3.343
  419   HG23  VAL  49          2HG2      VAL  49   4.437  -7.979  -1.580
  420    H    ILE  50           H        ILE  50   6.312  -4.169  -4.213
  421    HA   ILE  50           HA       ILE  50   4.593  -4.732  -6.485
  422    HB   ILE  50           HB       ILE  50   5.413  -2.023  -5.439
  423   HG12  ILE  50          2HG1      ILE  50   3.003  -3.704  -4.705
  424   HG13  ILE  50          1HG1      ILE  50   4.365  -3.346  -3.649
  425   HG21  ILE  50          1HG2      ILE  50   3.013  -1.605  -6.455
  426   HG22  ILE  50          2HG2      ILE  50   3.440  -3.011  -7.428
  427   HG23  ILE  50          3HG2      ILE  50   4.459  -1.574  -7.464
  428   HD11  ILE  50          3HD1      ILE  50   3.765  -0.905  -3.947
  429   HD12  ILE  50          1HD1      ILE  50   2.653  -1.890  -2.996
  430   HD13  ILE  50          2HD1      ILE  50   2.258  -1.475  -4.664
  431    H    ASN  51           H        ASN  51   7.725  -4.952  -6.380
  432    HA   ASN  51           HA       ASN  51   8.885  -3.113  -8.088
  433    HB2  ASN  51           2HB      ASN  51  10.483  -4.954  -8.679
  434    HB3  ASN  51           1HB      ASN  51  10.253  -4.729  -6.948
  435   HD21  ASN  51          1HD2      ASN  51  11.144  -7.066  -8.482
  436   HD22  ASN  51          2HD2      ASN  51  10.068  -8.346  -8.050
  437    H    GLU  52           H        GLU  52   7.078  -6.044  -8.886
  438    HA   GLU  52           HA       GLU  52   7.485  -6.114 -11.621
  439    HB2  GLU  52           2HB      GLU  52   5.126  -6.957  -9.945
  440    HB3  GLU  52           1HB      GLU  52   5.214  -7.258 -11.675
  441    HG2  GLU  52           2HG      GLU  52   7.576  -8.124 -10.183
  442    HG3  GLU  52           1HG      GLU  52   6.084  -8.956  -9.741
  443    HA   PRO  53           HA       PRO  53   5.833  -2.138 -12.909
  444    HB2  PRO  53           2HB      PRO  53   5.527  -3.802 -15.379
  445    HB3  PRO  53           1HB      PRO  53   6.155  -2.160 -15.205
  446    HG2  PRO  53           2HG      PRO  53   7.804  -4.242 -15.504
  447    HG3  PRO  53           1HG      PRO  53   8.215  -2.882 -14.443
  448    HD2  PRO  53           2HD      PRO  53   7.400  -5.642 -13.739
  449    HD3  PRO  53           1HD      PRO  53   8.372  -4.480 -12.816
  450    H    SER  54           H        SER  54   4.273  -5.258 -13.430
  451    HA   SER  54           HA       SER  54   1.743  -4.246 -14.207
  452    HB2  SER  54           2HB      SER  54   2.803  -6.884 -13.311
  453    HB3  SER  54           1HB      SER  54   1.058  -6.636 -13.250
  454    HG   SER  54           HG       SER  54   1.244  -5.967 -15.496
  455    H    ARG  55           H        ARG  55   3.250  -4.825 -11.118
  456    HA   ARG  55           HA       ARG  55   0.772  -4.479  -9.649
  457    HB2  ARG  55           2HB      ARG  55   3.580  -4.650  -8.554
  458    HB3  ARG  55           1HB      ARG  55   2.078  -4.889  -7.672
  459    HG2  ARG  55           2HG      ARG  55   1.626  -6.901  -8.979
  460    HG3  ARG  55           1HG      ARG  55   3.134  -6.660  -9.866
  461    HD2  ARG  55           2HD      ARG  55   4.408  -7.409  -8.160
  462    HD3  ARG  55           1HD      ARG  55   3.383  -6.666  -6.933
  463    HE   ARG  55           HE       ARG  55   2.265  -8.648  -6.725
  464   HH11  ARG  55          1HH1      ARG  55   4.056  -8.688  -9.720
  465   HH12  ARG  55          2HH1      ARG  55   3.706 -10.350 -10.053
  466   HH21  ARG  55          1HH2      ARG  55   1.804 -10.836  -7.160
  467   HH22  ARG  55          2HH2      ARG  55   2.426 -11.570  -8.601
  468    H    LEU  56           H        LEU  56   3.047  -2.432 -11.032
  469    HA   LEU  56           HA       LEU  56   3.573  -0.444  -9.247
  470    HB2  LEU  56           2HB      LEU  56   3.008  -0.408 -12.178
  471    HB3  LEU  56           1HB      LEU  56   3.224   1.112 -11.329
  472    HG   LEU  56           HG       LEU  56   5.257  -1.116 -11.303
  473   HD11  LEU  56          1HD1      LEU  56   4.998  -0.329 -13.575
  474   HD12  LEU  56          2HD1      LEU  56   6.517   0.261 -12.902
  475   HD13  LEU  56          3HD1      LEU  56   5.132   1.345 -13.038
  476   HD21  LEU  56          3HD2      LEU  56   5.018   0.920  -9.561
  477   HD22  LEU  56          1HD2      LEU  56   5.987   1.697 -10.814
  478   HD23  LEU  56          2HD2      LEU  56   6.564   0.221 -10.041
  479    HA   PRO  57           HA       PRO  57  -0.824   1.583 -10.462
  480    HB2  PRO  57           2HB      PRO  57  -2.212  -1.062 -10.409
  481    HB3  PRO  57           1HB      PRO  57  -2.593   0.390 -11.342
  482    HG2  PRO  57           2HG      PRO  57  -1.398  -1.684 -12.501
  483    HG3  PRO  57           1HG      PRO  57  -0.937  -0.022 -12.912
  484    HD2  PRO  57           2HD      PRO  57   0.499  -2.032 -11.252
  485    HD3  PRO  57           1HD      PRO  57   1.150  -0.761 -12.303
  486    H    LEU  58           H        LEU  58  -0.097  -1.150  -8.392
  487    HA   LEU  58           HA       LEU  58  -2.079  -0.869  -6.462
  488    HB2  LEU  58           2HB      LEU  58   0.744  -1.873  -6.347
  489    HB3  LEU  58           1HB      LEU  58  -0.229  -1.782  -4.892
  490    HG   LEU  58           HG       LEU  58  -1.220  -3.256  -7.313
  491   HD11  LEU  58          1HD1      LEU  58   0.032  -4.828  -5.164
  492   HD12  LEU  58          2HD1      LEU  58   1.143  -3.934  -6.201
  493   HD13  LEU  58          3HD1      LEU  58   0.017  -5.092  -6.909
  494   HD21  LEU  58          3HD2      LEU  58  -2.851  -4.023  -5.958
  495   HD22  LEU  58          1HD2      LEU  58  -2.471  -2.576  -5.024
  496   HD23  LEU  58          2HD2      LEU  58  -1.784  -4.133  -4.559
  497    H    PHE  59           H        PHE  59   1.042   0.784  -6.738
  498    HA   PHE  59           HA       PHE  59   1.168   2.086  -4.321
  499    HB2  PHE  59           2HB      PHE  59   2.036   2.895  -7.081
  500    HB3  PHE  59           1HB      PHE  59   2.279   3.976  -5.712
  501    HD1  PHE  59           2HD      PHE  59   3.608   3.109  -3.731
  502    HD2  PHE  59           1HD      PHE  59   3.531   1.162  -7.514
  503    HE1  PHE  59           2HE      PHE  59   5.683   1.919  -3.155
  504    HE2  PHE  59           1HE      PHE  59   5.607  -0.032  -6.946
  505    HZ   PHE  59           HZ       PHE  59   6.685   0.345  -4.763
  506    H    ASP  60           H        ASP  60  -0.740   2.951  -7.156
  507    HA   ASP  60           HA       ASP  60  -1.586   5.486  -6.433
  508    HB2  ASP  60           2HB      ASP  60  -3.145   3.330  -7.874
  509    HB3  ASP  60           1HB      ASP  60  -3.588   5.034  -7.829
  510    H    ALA  61           H        ALA  61  -2.952   2.351  -5.556
  511    HA   ALA  61           HA       ALA  61  -5.090   3.424  -4.000
  512    HB1  ALA  61           1HB      ALA  61  -3.976   0.657  -3.673
  513    HB2  ALA  61           2HB      ALA  61  -4.921   1.111  -5.091
  514    HB3  ALA  61           3HB      ALA  61  -5.639   1.213  -3.485
  515    H    ILE  62           H        ILE  62  -1.757   2.651  -3.348
  516    HA   ILE  62           HA       ILE  62  -1.941   2.386  -0.540
  517    HB   ILE  62           HB       ILE  62   0.455   3.399  -2.066
  518   HG12  ILE  62          2HG1      ILE  62  -0.247   1.347  -3.118
  519   HG13  ILE  62          1HG1      ILE  62   1.157   1.000  -2.115
  520   HG21  ILE  62          1HG2      ILE  62   0.127   3.289   0.598
  521   HG22  ILE  62          2HG2      ILE  62   1.680   3.054  -0.201
  522   HG23  ILE  62          3HG2      ILE  62   0.726   1.658   0.298
  523   HD11  ILE  62          3HD1      ILE  62  -0.675  -0.692  -2.017
  524   HD12  ILE  62          1HD1      ILE  62  -1.672   0.526  -1.223
  525   HD13  ILE  62          2HD1      ILE  62  -0.186  -0.034  -0.456
  526    H    ARG  63           H        ARG  63  -1.477   5.188  -2.647
  527    HA   ARG  63           HA       ARG  63  -0.770   7.064  -0.708
  528    HB2  ARG  63           2HB      ARG  63  -1.599   7.095  -3.452
  529    HB3  ARG  63           1HB      ARG  63  -2.433   8.378  -2.586
  530    HG2  ARG  63           2HG      ARG  63   0.029   8.792  -1.655
  531    HG3  ARG  63           1HG      ARG  63   0.438   8.060  -3.207
  532    HD2  ARG  63           2HD      ARG  63  -1.606  10.231  -3.111
  533    HD3  ARG  63           1HD      ARG  63   0.101  10.652  -2.987
  534    HE   ARG  63           HE       ARG  63   0.422   9.946  -5.185
  535   HH11  ARG  63          1HH1      ARG  63  -2.882   9.410  -4.177
  536   HH12  ARG  63          2HH1      ARG  63  -3.458   9.161  -5.788
  537   HH21  ARG  63          1HH2      ARG  63  -0.344   9.620  -7.299
  538   HH22  ARG  63          2HH2      ARG  63  -2.021   9.280  -7.559
  539    HA   PRO  64           HA       PRO  64  -5.618   8.211  -0.461
  540    HB2  PRO  64           2HB      PRO  64  -6.458   5.379  -0.950
  541    HB3  PRO  64           1HB      PRO  64  -7.319   6.881  -1.305
  542    HG2  PRO  64           2HG      PRO  64  -6.083   5.548  -3.240
  543    HG3  PRO  64           1HG      PRO  64  -6.039   7.321  -3.190
  544    HD2  PRO  64           2HD      PRO  64  -3.909   5.356  -2.537
  545    HD3  PRO  64           1HD      PRO  64  -3.773   6.991  -3.204
  546    H    LEU  65           H        LEU  65  -4.826   4.829   0.385
  547    HA   LEU  65           HA       LEU  65  -6.055   4.937   2.922
  548    HB2  LEU  65           2HB      LEU  65  -4.757   2.847   3.378
  549    HB3  LEU  65           1HB      LEU  65  -5.759   2.809   1.940
  550    HG   LEU  65           HG       LEU  65  -3.507   3.519   0.753
  551   HD11  LEU  65          1HD1      LEU  65  -2.559   2.091   3.231
  552   HD12  LEU  65          2HD1      LEU  65  -2.213   3.763   2.791
  553   HD13  LEU  65          3HD1      LEU  65  -1.575   2.444   1.811
  554   HD21  LEU  65          3HD2      LEU  65  -3.655   1.478  -0.129
  555   HD22  LEU  65          1HD2      LEU  65  -4.968   1.193   1.012
  556   HD23  LEU  65          2HD2      LEU  65  -3.325   0.697   1.417
  557    H    ILE  66           H        ILE  66  -3.107   6.231   1.839
  558    HA   ILE  66           HA       ILE  66  -1.896   6.162   4.488
  559    HB   ILE  66           HB       ILE  66  -0.832   6.153   1.896
  560   HG12  ILE  66          2HG1      ILE  66   1.169   6.738   3.895
  561   HG13  ILE  66          1HG1      ILE  66  -0.032   5.620   4.534
  562   HG21  ILE  66          1HG2      ILE  66   0.691   8.054   1.845
  563   HG22  ILE  66          2HG2      ILE  66  -0.064   8.707   3.299
  564   HG23  ILE  66          3HG2      ILE  66  -0.992   8.580   1.806
  565   HD11  ILE  66          3HD1      ILE  66   2.132   5.100   2.778
  566   HD12  ILE  66          1HD1      ILE  66   0.626   4.754   1.929
  567   HD13  ILE  66          2HD1      ILE  66   0.969   3.969   3.470
  568    HA   PRO  67           HA       PRO  67  -3.337  10.039   5.993
  569    HB2  PRO  67           2HB      PRO  67  -0.796  10.990   6.822
  570    HB3  PRO  67           1HB      PRO  67  -2.007  10.170   7.808
  571    HG2  PRO  67           2HG      PRO  67   0.408   9.077   6.485
  572    HG3  PRO  67           1HG      PRO  67  -0.396   8.550   7.972
  573    HD2  PRO  67           2HD      PRO  67  -0.581   7.144   5.697
  574    HD3  PRO  67           1HD      PRO  67  -1.951   7.275   6.820
  575    H    LEU  68           H        LEU  68  -3.264  12.275   5.591
  576    HA   LEU  68           HA       LEU  68  -2.846  13.044   2.970
  577    HB2  LEU  68           2HB      LEU  68  -2.570  15.402   4.498
  578    HB3  LEU  68           1HB      LEU  68  -3.987  14.814   3.656
  579    HG   LEU  68           HG       LEU  68  -4.587  13.535   5.741
  580   HD11  LEU  68          1HD1      LEU  68  -2.321  13.527   6.729
  581   HD12  LEU  68          2HD1      LEU  68  -3.545  14.162   7.827
  582   HD13  LEU  68          3HD1      LEU  68  -2.455  15.265   6.987
  583   HD21  LEU  68          3HD2      LEU  68  -5.009  15.836   7.012
  584   HD22  LEU  68          1HD2      LEU  68  -5.912  15.365   5.573
  585   HD23  LEU  68          2HD2      LEU  68  -4.551  16.478   5.435
  586    H    LYS  69           H        LYS  69  -0.900  14.351   5.668
  587    HA   LYS  69           HA       LYS  69   1.081  15.556   4.244
  588    HB2  LYS  69           2HB      LYS  69   1.575  13.958   6.760
  589    HB3  LYS  69           1HB      LYS  69   2.528  15.311   6.168
  590    HG2  LYS  69           2HG      LYS  69   0.945  16.867   6.786
  591    HG3  LYS  69           1HG      LYS  69  -0.367  15.689   6.783
  592    HD2  LYS  69           2HD      LYS  69   0.699  14.601   8.758
  593    HD3  LYS  69           1HD      LYS  69   1.858  15.931   8.801
  594    HE2  LYS  69           2HE      LYS  69  -0.717  17.083   8.657
  595    HE3  LYS  69           1HE      LYS  69  -0.789  15.809   9.875
  596    HZ1  LYS  69           3HZ      LYS  69   0.943  16.809  11.097
  597    HZ2  LYS  69           1HZ      LYS  69  -0.113  18.068  10.690
  598    HZ3  LYS  69           2HZ      LYS  69   1.337  17.871   9.841
  599    H    HIS  70           H        HIS  70   0.951  12.144   5.159
  600    HA   HIS  70           HA       HIS  70   3.456  11.474   4.011
  601    HB2  HIS  70           2HB      HIS  70   1.103   9.709   4.705
  602    HB3  HIS  70           1HB      HIS  70   2.722   9.137   4.310
  603    HD1  HIS  70           1HD      HIS  70   3.362   8.169   6.549
  604    HD2  HIS  70           2HD      HIS  70   2.015  12.092   6.819
  605    HE1  HIS  70           1HE      HIS  70   3.831   8.880   8.915
  606    HE2  HIS  70           2HE      HIS  70   3.073  11.279   9.035
  607    H    GLN  71           H        GLN  71   0.231  11.767   2.714
  608    HA   GLN  71           HA       GLN  71   0.555  10.192   0.400
  609    HB2  GLN  71           2HB      GLN  71  -1.264  12.417   1.192
  610    HB3  GLN  71           1HB      GLN  71  -1.157  12.017  -0.514
  611    HG2  GLN  71           2HG      GLN  71  -1.677   9.642   0.127
  612    HG3  GLN  71           1HG      GLN  71  -2.036  10.247   1.744
  613   HE21  GLN  71          1HE2      GLN  71  -3.138   9.903  -1.475
  614   HE22  GLN  71          2HE2      GLN  71  -4.688  10.638  -1.265
  615    H    VAL  72           H        VAL  72   0.896  13.689   0.863
  616    HA   VAL  72           HA       VAL  72   1.847  14.322  -1.683
  617    HB   VAL  72           HB       VAL  72   2.660  15.718   0.869
  618   HG11  VAL  72          1HG1      VAL  72   3.545  16.181  -1.638
  619   HG12  VAL  72          2HG1      VAL  72   3.388  17.432  -0.403
  620   HG13  VAL  72          3HG1      VAL  72   2.118  17.218  -1.607
  621   HG21  VAL  72          3HG2      VAL  72   0.317  15.605   1.013
  622   HG22  VAL  72          1HG2      VAL  72   0.112  15.870  -0.718
  623   HG23  VAL  72          2HG2      VAL  72   0.653  17.191   0.319
  624    H    GLU  73           H        GLU  73   3.616  13.474   1.282
  625    HA   GLU  73           HA       GLU  73   6.197  13.734   0.157
  626    HB2  GLU  73           2HB      GLU  73   5.441  13.512   2.654
  627    HB3  GLU  73           1HB      GLU  73   5.602  11.786   2.360
  628    HG2  GLU  73           2HG      GLU  73   7.737  12.009   2.902
  629    HG3  GLU  73           1HG      GLU  73   7.950  12.842   1.364
  630    H    TYR  74           H        TYR  74   3.919  11.050   0.330
  631    HA   TYR  74           HA       TYR  74   5.600   8.984  -0.502
  632    HB2  TYR  74           2HB      TYR  74   3.088   8.943   0.234
  633    HB3  TYR  74           1HB      TYR  74   2.766   9.155  -1.482
  634    HD1  TYR  74           2HD      TYR  74   5.386   7.135   0.240
  635    HD2  TYR  74           1HD      TYR  74   1.917   7.122  -2.224
  636    HE1  TYR  74           2HE      TYR  74   5.641   4.713  -0.097
  637    HE2  TYR  74           1HE      TYR  74   2.163   4.700  -2.567
  638    HH   TYR  74           HH       TYR  74   3.191   2.790  -1.559
  639    H    ASP  75           H        ASP  75   3.857  11.441  -2.301
  640    HA   ASP  75           HA       ASP  75   4.540  10.437  -4.887
  641    HB2  ASP  75           2HB      ASP  75   3.432  13.055  -3.886
  642    HB3  ASP  75           1HB      ASP  75   3.857  12.824  -5.581
  643    H    GLN  76           H        GLN  76   5.989  12.664  -2.597
  644    HA   GLN  76           HA       GLN  76   7.850  13.856  -4.360
  645    HB2  GLN  76           2HB      GLN  76   7.354  13.791  -1.484
  646    HB3  GLN  76           1HB      GLN  76   9.067  13.877  -1.871
  647    HG2  GLN  76           2HG      GLN  76   7.802  15.728  -3.551
  648    HG3  GLN  76           1HG      GLN  76   7.075  15.932  -1.959
  649   HE21  GLN  76          1HE2      GLN  76   8.681  17.847  -3.249
  650   HE22  GLN  76          2HE2      GLN  76  10.116  18.063  -2.314
  651    H    LEU  77           H        LEU  77   7.826  10.837  -2.616
  652    HA   LEU  77           HA       LEU  77  10.627  10.332  -3.230
  653    HB2  LEU  77           2HB      LEU  77   8.650   8.549  -1.813
  654    HB3  LEU  77           1HB      LEU  77  10.388   8.336  -1.882
  655    HG   LEU  77           HG       LEU  77   9.278  10.837  -0.679
  656   HD11  LEU  77          1HD1      LEU  77   8.055   9.536   0.708
  657   HD12  LEU  77          2HD1      LEU  77   9.611   9.344   1.515
  658   HD13  LEU  77          3HD1      LEU  77   9.032   8.100   0.405
  659   HD21  LEU  77          3HD2      LEU  77  11.797  10.029  -1.150
  660   HD22  LEU  77          1HD2      LEU  77  11.560   9.357   0.463
  661   HD23  LEU  77          2HD2      LEU  77  11.348  11.087   0.186
  662    H    THR  78           H        THR  78   7.437   8.980  -3.934
  663    HA   THR  78           HA       THR  78   8.471   6.999  -5.732
  664    HB   THR  78           HB       THR  78   6.131   6.503  -6.217
  665    HG1  THR  78           1HG      THR  78   5.484   8.724  -4.585
  666   HG21  THR  78          3HG2      THR  78   5.893   5.418  -4.308
  667   HG22  THR  78          1HG2      THR  78   5.629   6.922  -3.425
  668   HG23  THR  78          2HG2      THR  78   7.269   6.325  -3.679
  669    HA   PRO  79           HA       PRO  79   8.804  10.024  -9.067
  670    HB2  PRO  79           2HB      PRO  79   9.956   8.339 -10.858
  671    HB3  PRO  79           1HB      PRO  79  10.858   9.115  -9.551
  672    HG2  PRO  79           2HG      PRO  79   9.739   6.342  -9.694
  673    HG3  PRO  79           1HG      PRO  79  11.320   6.880  -9.099
  674    HD2  PRO  79           2HD      PRO  79   9.270   6.292  -7.436
  675    HD3  PRO  79           1HD      PRO  79  10.469   7.546  -7.062
  676    H    ARG  80           H        ARG  80   6.713  10.369  -9.704
  677    HA   ARG  80           HA       ARG  80   5.788   9.117 -12.046
  678    HB2  ARG  80           2HB      ARG  80   5.206   7.619  -9.781
  679    HB3  ARG  80           1HB      ARG  80   3.717   8.503 -10.086
  680    HG2  ARG  80           2HG      ARG  80   3.625   7.630 -12.343
  681    HG3  ARG  80           1HG      ARG  80   5.166   6.803 -12.106
  682    HD2  ARG  80           2HD      ARG  80   4.224   5.349 -10.473
  683    HD3  ARG  80           1HD      ARG  80   2.734   6.289 -10.406
  684    HE   ARG  80           HE       ARG  80   1.994   5.191 -12.277
  685   HH11  ARG  80          1HH1      ARG  80   5.415   4.614 -11.900
  686   HH12  ARG  80          2HH1      ARG  80   5.477   3.415 -13.146
  687   HH21  ARG  80          1HH2      ARG  80   2.073   3.612 -13.915
  688   HH22  ARG  80          2HH2      ARG  80   3.580   2.845 -14.290
  Start of MODEL    4
    1    H1   MET   1           1HT      MET   1 -17.750   5.859   6.734
    2    H2   MET   1           2HT      MET   1 -18.444   6.424   8.198
    3    H3   MET   1           3HT      MET   1 -16.806   5.916   8.163
    4    HA   MET   1           HA       MET   1 -18.023   8.307   6.987
    5    HB2  MET   1           2HB      MET   1 -17.251   8.263   9.367
    6    HB3  MET   1           1HB      MET   1 -15.633   7.888   8.792
    7    HG2  MET   1           2HG      MET   1 -15.407   9.994   7.758
    8    HG3  MET   1           1HG      MET   1 -17.126  10.346   7.932
    9    HE1  MET   1           2HE      MET   1 -17.540  10.240  11.676
   10    HE2  MET   1           3HE      MET   1 -18.254  10.133  10.067
   11    HE3  MET   1           1HE      MET   1 -17.928  11.711  10.783
   12    H    ASP   2           H        ASP   2 -14.798   6.819   7.323
   13    HA   ASP   2           HA       ASP   2 -14.176   7.771   4.609
   14    HB2  ASP   2           2HB      ASP   2 -12.391   7.162   6.968
   15    HB3  ASP   2           1HB      ASP   2 -11.773   7.452   5.346
   16    H    ARG   3           H        ARG   3 -15.639   5.322   5.208
   17    HA   ARG   3           HA       ARG   3 -13.708   3.241   4.480
   18    HB2  ARG   3           2HB      ARG   3 -16.560   3.106   5.456
   19    HB3  ARG   3           1HB      ARG   3 -15.667   1.698   4.895
   20    HG2  ARG   3           2HG      ARG   3 -14.128   3.140   6.844
   21    HG3  ARG   3           1HG      ARG   3 -15.731   2.764   7.477
   22    HD2  ARG   3           2HD      ARG   3 -14.740   0.808   8.022
   23    HD3  ARG   3           1HD      ARG   3 -15.129   0.406   6.350
   24    HE   ARG   3           HE       ARG   3 -12.893   0.436   5.854
   25   HH11  ARG   3          1HH1      ARG   3 -13.387   1.962   8.954
   26   HH12  ARG   3          2HH1      ARG   3 -11.698   2.064   9.313
   27   HH21  ARG   3          1HH2      ARG   3 -10.668   0.570   6.326
   28   HH22  ARG   3          2HH2      ARG   3 -10.154   1.275   7.822
   29    H    LYS   4           H        LYS   4 -13.497   4.184   2.321
   30    HA   LYS   4           HA       LYS   4 -15.598   3.164   0.541
   31    HB2  LYS   4           2HB      LYS   4 -15.512   5.772   0.944
   32    HB3  LYS   4           1HB      LYS   4 -14.174   5.688  -0.194
   33    HG2  LYS   4           2HG      LYS   4 -16.607   4.265  -1.022
   34    HG3  LYS   4           1HG      LYS   4 -16.760   6.018  -0.896
   35    HD2  LYS   4           2HD      LYS   4 -15.821   6.166  -2.908
   36    HD3  LYS   4           1HD      LYS   4 -14.319   5.589  -2.185
   37    HE2  LYS   4           2HE      LYS   4 -14.868   4.223  -4.096
   38    HE3  LYS   4           1HE      LYS   4 -15.037   3.269  -2.624
   39    HZ1  LYS   4           3HZ      LYS   4 -17.074   4.159  -4.503
   40    HZ2  LYS   4           1HZ      LYS   4 -17.509   4.168  -2.870
   41    HZ3  LYS   4           2HZ      LYS   4 -16.986   2.734  -3.597
   42    H    VAL   5           H        VAL   5 -12.276   4.421   0.729
   43    HA   VAL   5           HA       VAL   5 -11.444   3.235  -1.718
   44    HB   VAL   5           HB       VAL   5  -9.616   4.006   0.551
   45   HG11  VAL   5          1HG1      VAL   5  -9.180   2.984  -2.039
   46   HG12  VAL   5          2HG1      VAL   5  -7.982   3.580  -0.888
   47   HG13  VAL   5          3HG1      VAL   5  -8.691   4.679  -2.070
   48   HG21  VAL   5          3HG2      VAL   5  -9.520   6.248  -0.601
   49   HG22  VAL   5          1HG2      VAL   5 -11.012   5.904   0.274
   50   HG23  VAL   5          2HG2      VAL   5 -10.969   5.765  -1.483
   51    H    ALA   6           H        ALA   6 -11.682   2.099   1.553
   52    HA   ALA   6           HA       ALA   6  -9.825   0.035   1.572
   53    HB1  ALA   6           1HB      ALA   6 -11.313   0.895   3.469
   54    HB2  ALA   6           2HB      ALA   6 -10.961  -0.833   3.421
   55    HB3  ALA   6           3HB      ALA   6 -12.521  -0.233   2.856
   56    H    ARG   7           H        ARG   7 -13.199  -0.024   0.498
   57    HA   ARG   7           HA       ARG   7 -13.327  -2.732  -0.191
   58    HB2  ARG   7           2HB      ARG   7 -15.090  -0.643  -0.211
   59    HB3  ARG   7           1HB      ARG   7 -14.847  -0.909  -1.931
   60    HG2  ARG   7           2HG      ARG   7 -16.459  -2.434  -1.736
   61    HG3  ARG   7           1HG      ARG   7 -15.213  -3.454  -1.014
   62    HD2  ARG   7           2HD      ARG   7 -16.295  -1.686   0.970
   63    HD3  ARG   7           1HD      ARG   7 -17.604  -2.547   0.160
   64    HE   ARG   7           HE       ARG   7 -15.630  -3.657   1.929
   65   HH11  ARG   7          1HH1      ARG   7 -17.866  -4.351  -0.658
   66   HH12  ARG   7          2HH1      ARG   7 -18.009  -6.029  -0.253
   67   HH21  ARG   7          1HH2      ARG   7 -15.816  -5.863   2.463
   68   HH22  ARG   7          2HH2      ARG   7 -16.845  -6.888   1.519
   69    H    GLU   8           H        GLU   8 -12.514   0.096  -2.156
   70    HA   GLU   8           HA       GLU   8 -12.070  -1.282  -4.565
   71    HB2  GLU   8           2HB      GLU   8 -11.019   1.347  -3.525
   72    HB3  GLU   8           1HB      GLU   8 -10.663   0.756  -5.142
   73    HG2  GLU   8           2HG      GLU   8 -13.377   0.521  -5.045
   74    HG3  GLU   8           1HG      GLU   8 -13.095   1.965  -4.072
   75    H    PHE   9           H        PHE   9  -9.941  -0.461  -1.880
   76    HA   PHE   9           HA       PHE   9  -7.509  -1.260  -3.014
   77    HB2  PHE   9           2HB      PHE   9  -7.643   0.034  -0.939
   78    HB3  PHE   9           1HB      PHE   9  -8.396  -1.329  -0.120
   79    HD1  PHE   9           2HD      PHE   9  -7.036  -3.481   0.086
   80    HD2  PHE   9           1HD      PHE   9  -5.334   0.275  -0.970
   81    HE1  PHE   9           2HE      PHE   9  -4.813  -4.303   0.752
   82    HE2  PHE   9           1HE      PHE   9  -3.109  -0.541  -0.309
   83    HZ   PHE   9           HZ       PHE   9  -2.847  -2.832   0.554
   84    H    ARG  10           H        ARG  10 -10.088  -3.076  -1.505
   85    HA   ARG  10           HA       ARG  10  -8.648  -5.506  -1.196
   86    HB2  ARG  10           2HB      ARG  10 -11.571  -4.804  -1.204
   87    HB3  ARG  10           1HB      ARG  10 -11.037  -6.475  -1.089
   88    HG2  ARG  10           2HG      ARG  10  -9.674  -4.737   0.797
   89    HG3  ARG  10           1HG      ARG  10 -11.426  -4.741   1.010
   90    HD2  ARG  10           2HD      ARG  10 -11.486  -6.943   1.601
   91    HD3  ARG  10           1HD      ARG  10 -10.080  -7.357   0.624
   92    HE   ARG  10           HE       ARG  10  -8.752  -6.966   2.442
   93   HH11  ARG  10          1HH1      ARG  10 -11.869  -5.499   3.002
   94   HH12  ARG  10          2HH1      ARG  10 -11.517  -5.085   4.646
   95   HH21  ARG  10          1HH2      ARG  10  -8.289  -6.424   4.604
   96   HH22  ARG  10          2HH2      ARG  10  -9.484  -5.610   5.556
   97    H    HIS  11           H        HIS  11 -11.059  -4.455  -3.617
   98    HA   HIS  11           HA       HIS  11 -10.831  -6.805  -5.172
   99    HB2  HIS  11           2HB      HIS  11 -12.396  -5.875  -6.559
  100    HB3  HIS  11           1HB      HIS  11 -12.646  -4.869  -5.141
  101    HD1  HIS  11           1HD      HIS  11 -10.386  -4.656  -8.219
  102    HD2  HIS  11           2HD      HIS  11 -12.885  -2.301  -5.882
  103    HE1  HIS  11           1HE      HIS  11 -10.334  -2.372  -9.268
  104    HE2  HIS  11           2HE      HIS  11 -11.778  -0.942  -7.782
  105    H    LYS  12           H        LYS  12  -9.311  -3.609  -5.487
  106    HA   LYS  12           HA       LYS  12  -7.979  -4.044  -7.895
  107    HB2  LYS  12           2HB      LYS  12  -8.092  -2.005  -6.023
  108    HB3  LYS  12           1HB      LYS  12  -6.402  -2.487  -6.002
  109    HG2  LYS  12           2HG      LYS  12  -7.243  -2.322  -8.708
  110    HG3  LYS  12           1HG      LYS  12  -7.756  -0.854  -7.876
  111    HD2  LYS  12           2HD      LYS  12  -5.406  -0.680  -6.979
  112    HD3  LYS  12           1HD      LYS  12  -4.971  -1.984  -8.086
  113    HE2  LYS  12           2HE      LYS  12  -4.463   0.220  -9.029
  114    HE3  LYS  12           1HE      LYS  12  -5.674  -0.637  -9.982
  115    HZ1  LYS  12           3HZ      LYS  12  -5.945   1.883  -9.209
  116    HZ2  LYS  12           1HZ      LYS  12  -6.690   1.116  -7.897
  117    HZ3  LYS  12           2HZ      LYS  12  -7.262   0.854  -9.467
  118    H    VAL  13           H        VAL  13  -6.634  -4.378  -4.602
  119    HA   VAL  13           HA       VAL  13  -4.163  -5.410  -5.285
  120    HB   VAL  13           HB       VAL  13  -5.837  -6.066  -2.854
  121   HG11  VAL  13          1HG1      VAL  13  -3.390  -7.220  -3.711
  122   HG12  VAL  13          2HG1      VAL  13  -4.245  -7.465  -2.189
  123   HG13  VAL  13          3HG1      VAL  13  -3.043  -6.181  -2.329
  124   HG21  VAL  13          3HG2      VAL  13  -4.883  -3.639  -3.600
  125   HG22  VAL  13          1HG2      VAL  13  -3.535  -4.253  -2.642
  126   HG23  VAL  13          2HG2      VAL  13  -5.144  -4.138  -1.929
  127    H    ASP  14           H        ASP  14  -7.200  -7.167  -4.730
  128    HA   ASP  14           HA       ASP  14  -6.096  -9.750  -5.093
  129    HB2  ASP  14           2HB      ASP  14  -8.874  -8.625  -5.088
  130    HB3  ASP  14           1HB      ASP  14  -8.609 -10.282  -5.626
  131    H    PHE  15           H        PHE  15  -7.282  -7.321  -7.289
  132    HA   PHE  15           HA       PHE  15  -7.644  -9.001  -9.545
  133    HB2  PHE  15           2HB      PHE  15  -8.346  -6.470  -9.022
  134    HB3  PHE  15           1HB      PHE  15  -6.885  -6.157  -9.951
  135    HD1  PHE  15           1HD      PHE  15  -9.776  -8.511 -10.203
  136    HD2  PHE  15           2HD      PHE  15  -7.274  -5.670 -12.149
  137    HE1  PHE  15           1HE      PHE  15 -11.041  -8.831 -12.290
  138    HE2  PHE  15           2HE      PHE  15  -8.536  -5.987 -14.239
  139    HZ   PHE  15           HZ       PHE  15 -10.422  -7.569 -14.310
  140    H    LEU  16           H        LEU  16  -4.974  -6.830  -8.609
  141    HA   LEU  16           HA       LEU  16  -3.337  -7.801 -10.779
  142    HB2  LEU  16           2HB      LEU  16  -1.580  -6.328  -9.616
  143    HB3  LEU  16           1HB      LEU  16  -2.945  -5.558 -10.400
  144    HG   LEU  16           HG       LEU  16  -3.479  -6.111  -7.593
  145   HD11  LEU  16          1HD1      LEU  16  -1.933  -4.616  -6.594
  146   HD12  LEU  16          2HD1      LEU  16  -1.280  -4.138  -8.161
  147   HD13  LEU  16          3HD1      LEU  16  -0.992  -5.766  -7.545
  148   HD21  LEU  16          3HD2      LEU  16  -4.774  -4.616  -9.091
  149   HD22  LEU  16          1HD2      LEU  16  -3.389  -3.525  -9.139
  150   HD23  LEU  16          2HD2      LEU  16  -4.224  -3.826  -7.614
  151    H    ILE  17           H        ILE  17  -3.305  -8.029  -7.246
  152    HA   ILE  17           HA       ILE  17  -1.042  -9.844  -7.330
  153    HB   ILE  17           HB       ILE  17  -2.642  -8.998  -4.917
  154   HG12  ILE  17          2HG1      ILE  17  -0.162  -7.790  -6.156
  155   HG13  ILE  17          1HG1      ILE  17  -1.732  -7.017  -5.963
  156   HG21  ILE  17          1HG2      ILE  17  -0.548 -10.895  -5.297
  157   HG22  ILE  17          2HG2      ILE  17  -1.379 -10.447  -3.809
  158   HG23  ILE  17          3HG2      ILE  17   0.060  -9.563  -4.314
  159   HD11  ILE  17          3HD1      ILE  17  -1.461  -6.817  -3.638
  160   HD12  ILE  17          1HD1      ILE  17   0.084  -6.341  -4.343
  161   HD13  ILE  17          2HD1      ILE  17  -0.100  -7.939  -3.621
  162    H    GLU  18           H        GLU  18  -4.084 -10.091  -5.517
  163    HA   GLU  18           HA       GLU  18  -5.611 -11.777  -5.324
  164    HB2  GLU  18           2HB      GLU  18  -5.027 -11.971  -7.899
  165    HB3  GLU  18           1HB      GLU  18  -4.264 -13.468  -7.380
  166    HG2  GLU  18           2HG      GLU  18  -6.645 -13.715  -6.159
  167    HG3  GLU  18           1HG      GLU  18  -7.113 -12.753  -7.562
  168    H    ASN  19           H        ASN  19  -2.430 -11.966  -4.603
  169    HA   ASN  19           HA       ASN  19  -2.507 -14.731  -3.667
  170    HB2  ASN  19           2HB      ASN  19  -0.277 -12.718  -3.925
  171    HB3  ASN  19           1HB      ASN  19  -0.076 -14.241  -3.065
  172   HD21  ASN  19          1HD2      ASN  19  -0.270 -12.695  -6.112
  173   HD22  ASN  19          2HD2      ASN  19   0.007 -14.091  -7.091
  174    H    ASP  20           H        ASP  20  -2.334 -15.296  -1.519
  175    HA   ASP  20           HA       ASP  20  -3.241 -13.304   0.364
  176    HB2  ASP  20           2HB      ASP  20  -2.966 -16.259   0.331
  177    HB3  ASP  20           1HB      ASP  20  -2.868 -15.477   1.906
  178    H    ALA  21           H        ALA  21  -0.295 -15.071  -0.327
  179    HA   ALA  21           HA       ALA  21   1.089 -14.433   2.052
  180    HB1  ALA  21           1HB      ALA  21   1.595 -16.088  -0.009
  181    HB2  ALA  21           2HB      ALA  21   2.817 -15.573   1.153
  182    HB3  ALA  21           3HB      ALA  21   2.683 -14.757  -0.404
  183    H    GLU  22           H        GLU  22   1.184 -12.974  -1.179
  184    HA   GLU  22           HA       GLU  22   2.960 -10.888  -0.503
  185    HB2  GLU  22           2HB      GLU  22   0.879 -10.957  -2.696
  186    HB3  GLU  22           1HB      GLU  22   2.238  -9.846  -2.602
  187    HG2  GLU  22           2HG      GLU  22   2.979 -12.674  -2.476
  188    HG3  GLU  22           1HG      GLU  22   2.218 -12.179  -3.989
  189    H    LYS  23           H        LYS  23  -0.522 -11.217  -0.319
  190    HA   LYS  23           HA       LYS  23  -1.089  -8.474   0.167
  191    HB2  LYS  23           2HB      LYS  23  -2.568 -11.020   0.219
  192    HB3  LYS  23           1HB      LYS  23  -3.171  -9.803   1.335
  193    HG2  LYS  23           2HG      LYS  23  -3.148  -8.216  -0.672
  194    HG3  LYS  23           1HG      LYS  23  -2.981  -9.674  -1.652
  195    HD2  LYS  23           2HD      LYS  23  -5.115  -9.660   0.407
  196    HD3  LYS  23           1HD      LYS  23  -5.354  -8.637  -1.010
  197    HE2  LYS  23           2HE      LYS  23  -5.416 -10.428  -2.459
  198    HE3  LYS  23           1HE      LYS  23  -4.483 -11.466  -1.381
  199    HZ1  LYS  23           3HZ      LYS  23  -7.344 -10.957  -1.453
  200    HZ2  LYS  23           1HZ      LYS  23  -6.656 -11.077   0.089
  201    HZ3  LYS  23           2HZ      LYS  23  -6.502 -12.355  -1.008
  202    H    ASP  24           H        ASP  24  -0.295 -11.216   2.214
  203    HA   ASP  24           HA       ASP  24  -0.903  -9.901   4.676
  204    HB2  ASP  24           2HB      ASP  24  -0.814 -12.389   4.390
  205    HB3  ASP  24           1HB      ASP  24   0.936 -12.262   4.232
  206    H    TYR  25           H        TYR  25   1.888 -10.137   2.602
  207    HA   TYR  25           HA       TYR  25   3.793  -9.157   4.475
  208    HB2  TYR  25           2HB      TYR  25   4.193 -10.441   2.263
  209    HB3  TYR  25           1HB      TYR  25   4.045  -8.866   1.490
  210    HD1  TYR  25           1HD      TYR  25   5.669  -9.775   4.720
  211    HD2  TYR  25           2HD      TYR  25   6.188  -8.359   0.743
  212    HE1  TYR  25           1HE      TYR  25   8.039  -9.327   5.196
  213    HE2  TYR  25           2HE      TYR  25   8.561  -7.908   1.207
  214    HH   TYR  25           HH       TYR  25   9.860  -7.990   4.382
  215    H    LEU  26           H        LEU  26   1.963  -7.642   1.829
  216    HA   LEU  26           HA       LEU  26   3.015  -5.049   2.218
  217    HB2  LEU  26           2HB      LEU  26   1.426  -4.306   0.664
  218    HB3  LEU  26           1HB      LEU  26   1.800  -5.946   0.174
  219    HG   LEU  26           HG       LEU  26  -0.322  -6.536   1.613
  220   HD11  LEU  26          1HD1      LEU  26  -1.060  -4.601   2.560
  221   HD12  LEU  26          2HD1      LEU  26  -1.968  -4.547   1.049
  222   HD13  LEU  26          3HD1      LEU  26  -0.491  -3.599   1.224
  223   HD21  LEU  26          3HD2      LEU  26  -0.451  -5.277  -1.123
  224   HD22  LEU  26          1HD2      LEU  26  -1.696  -6.303  -0.410
  225   HD23  LEU  26          2HD2      LEU  26  -0.101  -6.968  -0.763
  226    H    TYR  27           H        TYR  27   0.303  -6.773   3.626
  227    HA   TYR  27           HA       TYR  27  -0.919  -4.525   4.854
  228    HB2  TYR  27           2HB      TYR  27  -1.448  -7.293   4.648
  229    HB3  TYR  27           1HB      TYR  27  -1.366  -6.930   6.366
  230    HD1  TYR  27           2HD      TYR  27  -2.807  -5.356   3.289
  231    HD2  TYR  27           1HD      TYR  27  -3.377  -6.436   7.365
  232    HE1  TYR  27           2HE      TYR  27  -5.094  -4.457   3.202
  233    HE2  TYR  27           1HE      TYR  27  -5.667  -5.542   7.289
  234    HH   TYR  27           HH       TYR  27  -7.196  -4.653   4.345
  235    H    ASP  28           H        ASP  28   1.532  -6.833   5.876
  236    HA   ASP  28           HA       ASP  28   1.694  -6.018   8.572
  237    HB2  ASP  28           2HB      ASP  28   2.675  -8.123   7.426
  238    HB3  ASP  28           1HB      ASP  28   4.042  -7.087   7.027
  239    H    VAL  29           H        VAL  29   3.392  -4.977   5.652
  240    HA   VAL  29           HA       VAL  29   5.249  -3.264   6.875
  241    HB   VAL  29           HB       VAL  29   4.011  -2.888   4.146
  242   HG11  VAL  29          1HG1      VAL  29   5.989  -1.690   3.583
  243   HG12  VAL  29          2HG1      VAL  29   6.761  -2.128   5.107
  244   HG13  VAL  29          3HG1      VAL  29   5.390  -1.020   5.101
  245   HG21  VAL  29          3HG2      VAL  29   6.607  -4.239   4.335
  246   HG22  VAL  29          1HG2      VAL  29   5.217  -4.588   3.307
  247   HG23  VAL  29          2HG2      VAL  29   5.250  -5.167   4.973
  248    H    LEU  30           H        LEU  30   2.036  -2.588   5.506
  249    HA   LEU  30           HA       LEU  30   2.025   0.168   6.087
  250    HB2  LEU  30           2HB      LEU  30  -0.064  -1.869   5.459
  251    HB3  LEU  30           1HB      LEU  30  -0.574  -0.306   6.067
  252    HG   LEU  30           HG       LEU  30   1.302  -0.402   3.744
  253   HD11  LEU  30          1HD1      LEU  30  -0.888  -1.934   3.577
  254   HD12  LEU  30          2HD1      LEU  30  -0.233  -1.032   2.211
  255   HD13  LEU  30          3HD1      LEU  30  -1.587  -0.376   3.132
  256   HD21  LEU  30          3HD2      LEU  30  -0.589   1.492   4.998
  257   HD22  LEU  30          1HD2      LEU  30  -0.467   1.543   3.238
  258   HD23  LEU  30          2HD2      LEU  30   0.972   1.784   4.230
  259    H    ARG  31           H        ARG  31   0.707  -2.609   7.873
  260    HA   ARG  31           HA       ARG  31  -0.461  -1.241   9.988
  261    HB2  ARG  31           2HB      ARG  31  -0.591  -3.723   9.476
  262    HB3  ARG  31           1HB      ARG  31   0.973  -3.881  10.264
  263    HG2  ARG  31           2HG      ARG  31  -0.001  -2.961  12.330
  264    HG3  ARG  31           1HG      ARG  31  -1.573  -2.892  11.530
  265    HD2  ARG  31           2HD      ARG  31  -0.251  -5.498  11.351
  266    HD3  ARG  31           1HD      ARG  31  -0.635  -4.999  12.998
  267    HE   ARG  31           HE       ARG  31  -2.489  -5.760  10.936
  268   HH11  ARG  31          1HH1      ARG  31  -2.086  -3.956  13.898
  269   HH12  ARG  31          2HH1      ARG  31  -3.764  -4.026  14.314
  270   HH21  ARG  31          1HH2      ARG  31  -4.697  -5.853  11.485
  271   HH22  ARG  31          2HH2      ARG  31  -5.246  -5.104  12.946
  272    H    MET  32           H        MET  32   2.886  -2.205   9.496
  273    HA   MET  32           HA       MET  32   3.705  -1.226  12.091
  274    HB2  MET  32           2HB      MET  32   5.017  -2.621   9.817
  275    HB3  MET  32           1HB      MET  32   6.043  -1.642  10.856
  276    HG2  MET  32           2HG      MET  32   4.737  -2.995  12.738
  277    HG3  MET  32           1HG      MET  32   4.613  -4.165  11.426
  278    HE1  MET  32           3HE      MET  32   6.644  -2.232  13.847
  279    HE2  MET  32           1HE      MET  32   8.190  -3.076  13.949
  280    HE3  MET  32           2HE      MET  32   6.717  -3.864  14.514
  281    H    TYR  33           H        TYR  33   3.620  -0.122   8.791
  282    HA   TYR  33           HA       TYR  33   5.455   1.987   8.935
  283    HB2  TYR  33           2HB      TYR  33   4.626   1.289   6.794
  284    HB3  TYR  33           1HB      TYR  33   2.963   1.624   7.265
  285    HD1  TYR  33           1HD      TYR  33   6.162   3.570   7.328
  286    HD2  TYR  33           2HD      TYR  33   2.086   3.419   6.124
  287    HE1  TYR  33           1HE      TYR  33   6.361   5.836   6.390
  288    HE2  TYR  33           2HE      TYR  33   2.274   5.683   5.182
  289    HH   TYR  33           HH       TYR  33   4.740   7.768   5.886
  290    H    HIS  34           H        HIS  34   2.136   1.719  10.003
  291    HA   HIS  34           HA       HIS  34   1.710   4.506  10.411
  292    HB2  HIS  34           2HB      HIS  34   0.139   2.199  10.493
  293    HB3  HIS  34           1HB      HIS  34   0.116   2.806  12.146
  294    HD1  HIS  34           1HD      HIS  34  -1.435   3.277   8.903
  295    HD2  HIS  34           2HD      HIS  34  -0.780   5.607  12.282
  296    HE1  HIS  34           1HE      HIS  34  -3.024   5.216   8.701
  297    HE2  HIS  34           2HE      HIS  34  -2.660   6.573  10.793
  298    H    GLN  35           H        GLN  35   2.633   1.827  12.543
  299    HA   GLN  35           HA       GLN  35   2.809   3.474  14.873
  300    HB2  GLN  35           2HB      GLN  35   3.930   0.715  14.358
  301    HB3  GLN  35           1HB      GLN  35   3.820   1.496  15.930
  302    HG2  GLN  35           2HG      GLN  35   1.241   1.597  14.851
  303    HG3  GLN  35           1HG      GLN  35   1.849  -0.021  14.501
  304   HE21  GLN  35          1HE2      GLN  35   2.319  -1.412  16.192
  305   HE22  GLN  35          2HE2      GLN  35   1.782  -1.122  17.808
  306    H    THR  36           H        THR  36   5.140   2.140  12.582
  307    HA   THR  36           HA       THR  36   7.402   3.264  13.956
  308    HB   THR  36           HB       THR  36   8.713   2.420  12.086
  309    HG1  THR  36           1HG      THR  36   6.210   1.850  10.883
  310   HG21  THR  36          3HG2      THR  36   8.072   0.747  13.715
  311   HG22  THR  36          1HG2      THR  36   8.107   0.056  12.095
  312   HG23  THR  36          2HG2      THR  36   6.564   0.457  12.848
  313    H    MET  37           H        MET  37   5.439   4.104  11.157
  314    HA   MET  37           HA       MET  37   5.233   6.022   9.954
  315    HB2  MET  37           2HB      MET  37   6.728   7.253  12.277
  316    HB3  MET  37           1HB      MET  37   5.868   8.145  11.029
  317    HG2  MET  37           2HG      MET  37   3.945   6.433  11.949
  318    HG3  MET  37           1HG      MET  37   4.861   6.796  13.411
  319    HE1  MET  37           3HE      MET  37   2.013   7.116  12.597
  320    HE2  MET  37           1HE      MET  37   1.538   8.574  11.725
  321    HE3  MET  37           2HE      MET  37   1.582   8.576  13.488
  322    H    ASP  38           H        ASP  38   7.330   4.318   9.280
  323    HA   ASP  38           HA       ASP  38   9.514   6.157   8.568
  324    HB2  ASP  38           2HB      ASP  38   9.424   3.145   8.767
  325    HB3  ASP  38           1HB      ASP  38  10.771   4.020   8.048
  326    H    VAL  39           H        VAL  39   8.843   7.107   6.708
  327    HA   VAL  39           HA       VAL  39   7.430   5.757   4.647
  328    HB   VAL  39           HB       VAL  39   9.033   8.301   4.374
  329   HG11  VAL  39          1HG1      VAL  39   7.429   8.809   2.589
  330   HG12  VAL  39          2HG1      VAL  39   6.670   7.235   2.832
  331   HG13  VAL  39          3HG1      VAL  39   8.333   7.332   2.256
  332   HG21  VAL  39          3HG2      VAL  39   6.163   8.597   4.754
  333   HG22  VAL  39          1HG2      VAL  39   7.501   9.447   5.527
  334   HG23  VAL  39          2HG2      VAL  39   6.968   7.888   6.153
  335    H    ALA  40           H        ALA  40  10.835   6.463   5.212
  336    HA   ALA  40           HA       ALA  40  11.880   5.854   2.709
  337    HB1  ALA  40           1HB      ALA  40  13.169   5.275   5.373
  338    HB2  ALA  40           2HB      ALA  40  13.159   6.848   4.573
  339    HB3  ALA  40           3HB      ALA  40  13.989   5.483   3.825
  340    H    VAL  41           H        VAL  41  11.262   3.687   5.459
  341    HA   VAL  41           HA       VAL  41  12.164   1.349   4.089
  342    HB   VAL  41           HB       VAL  41  10.369   1.472   6.513
  343   HG11  VAL  41          1HG1      VAL  41  10.324  -0.734   5.927
  344   HG12  VAL  41          2HG1      VAL  41  11.795  -0.719   6.899
  345   HG13  VAL  41          3HG1      VAL  41  11.900  -0.673   5.139
  346   HG21  VAL  41          3HG2      VAL  41  12.236   1.617   7.902
  347   HG22  VAL  41          1HG2      VAL  41  12.592   2.767   6.613
  348   HG23  VAL  41          2HG2      VAL  41  13.351   1.175   6.608
  349    H    LEU  42           H        LEU  42   9.049   2.886   4.605
  350    HA   LEU  42           HA       LEU  42   7.368   0.824   3.767
  351    HB2  LEU  42           2HB      LEU  42   6.519   2.822   4.841
  352    HB3  LEU  42           1HB      LEU  42   7.044   3.810   3.491
  353    HG   LEU  42           HG       LEU  42   5.425   2.214   2.134
  354   HD11  LEU  42          1HD1      LEU  42   3.616   2.318   4.395
  355   HD12  LEU  42          2HD1      LEU  42   5.000   1.268   4.701
  356   HD13  LEU  42          3HD1      LEU  42   3.976   0.989   3.292
  357   HD21  LEU  42          3HD2      LEU  42   5.010   4.722   3.627
  358   HD22  LEU  42          1HD2      LEU  42   3.553   3.915   3.049
  359   HD23  LEU  42          2HD2      LEU  42   4.817   4.376   1.910
  360    H    VAL  43           H        VAL  43   8.730   3.503   1.848
  361    HA   VAL  43           HA       VAL  43   7.660   2.723  -0.618
  362    HB   VAL  43           HB       VAL  43  10.295   4.142  -0.225
  363   HG11  VAL  43          1HG1      VAL  43   9.556   3.284  -2.524
  364   HG12  VAL  43          2HG1      VAL  43  10.036   4.976  -2.391
  365   HG13  VAL  43          3HG1      VAL  43   8.327   4.547  -2.452
  366   HG21  VAL  43          3HG2      VAL  43   7.597   4.972   0.448
  367   HG22  VAL  43          1HG2      VAL  43   8.355   6.057  -0.716
  368   HG23  VAL  43          2HG2      VAL  43   9.140   5.734   0.829
  369    H    GLY  44           H        GLY  44  10.681   1.825   0.983
  370    HA2  GLY  44           2HA      GLY  44  11.918   0.492  -1.135
  371    HA3  GLY  44           1HA      GLY  44  12.171   0.132   0.566
  372    H    ASP  45           H        ASP  45   9.952  -0.957   1.467
  373    HA   ASP  45           HA       ASP  45   9.956  -3.553   0.413
  374    HB2  ASP  45           2HB      ASP  45   9.221  -2.662   2.755
  375    HB3  ASP  45           1HB      ASP  45   7.637  -2.505   2.001
  376    H    LEU  46           H        LEU  46   7.791  -0.826  -0.125
  377    HA   LEU  46           HA       LEU  46   5.771  -2.190  -1.514
  378    HB2  LEU  46           2HB      LEU  46   6.594   0.593  -1.113
  379    HB3  LEU  46           1HB      LEU  46   5.796   0.314  -2.649
  380    HG   LEU  46           HG       LEU  46   4.372  -0.924  -0.427
  381   HD11  LEU  46          1HD1      LEU  46   3.581   1.661   0.012
  382   HD12  LEU  46          2HD1      LEU  46   5.335   1.811  -0.105
  383   HD13  LEU  46          3HD1      LEU  46   4.622   0.709   1.072
  384   HD21  LEU  46          3HD2      LEU  46   2.772   0.982  -1.648
  385   HD22  LEU  46          1HD2      LEU  46   2.871  -0.729  -2.058
  386   HD23  LEU  46          2HD2      LEU  46   3.857   0.443  -2.929
  387    H    LYS  47           H        LYS  47   8.861  -0.904  -2.566
  388    HA   LYS  47           HA       LYS  47   8.334  -1.192  -5.359
  389    HB2  LYS  47           2HB      LYS  47  10.211   0.151  -3.934
  390    HB3  LYS  47           1HB      LYS  47  11.143  -1.248  -4.445
  391    HG2  LYS  47           2HG      LYS  47  11.176  -0.609  -6.605
  392    HG3  LYS  47           1HG      LYS  47   9.546   0.064  -6.543
  393    HD2  LYS  47           2HD      LYS  47  11.321   1.595  -4.874
  394    HD3  LYS  47           1HD      LYS  47  11.982   1.460  -6.505
  395    HE2  LYS  47           2HE      LYS  47  10.502   3.439  -6.150
  396    HE3  LYS  47           1HE      LYS  47   9.995   2.376  -7.462
  397    HZ1  LYS  47           3HZ      LYS  47   8.208   1.599  -6.254
  398    HZ2  LYS  47           1HZ      LYS  47   8.254   3.225  -5.786
  399    HZ3  LYS  47           2HZ      LYS  47   8.872   2.031  -4.760
  400    H    LEU  48           H        LEU  48  10.296  -3.052  -3.042
  401    HA   LEU  48           HA       LEU  48  11.149  -5.055  -4.771
  402    HB2  LEU  48           2HB      LEU  48  10.481  -5.417  -1.853
  403    HB3  LEU  48           1HB      LEU  48  11.592  -6.381  -2.807
  404    HG   LEU  48           HG       LEU  48  12.192  -3.489  -2.645
  405   HD11  LEU  48          1HD1      LEU  48  11.467  -4.637  -0.300
  406   HD12  LEU  48          2HD1      LEU  48  12.650  -3.338  -0.453
  407   HD13  LEU  48          3HD1      LEU  48  13.190  -5.012  -0.344
  408   HD21  LEU  48          3HD2      LEU  48  13.779  -4.695  -3.822
  409   HD22  LEU  48          1HD2      LEU  48  13.683  -6.079  -2.733
  410   HD23  LEU  48          2HD2      LEU  48  14.491  -4.602  -2.210
  411    H    VAL  49           H        VAL  49   8.102  -4.682  -3.078
  412    HA   VAL  49           HA       VAL  49   7.212  -7.329  -3.880
  413    HB   VAL  49           HB       VAL  49   6.678  -6.083  -1.644
  414   HG11  VAL  49          1HG1      VAL  49   5.687  -4.093  -2.642
  415   HG12  VAL  49          2HG1      VAL  49   4.530  -4.945  -1.619
  416   HG13  VAL  49          3HG1      VAL  49   4.425  -5.086  -3.373
  417   HG21  VAL  49          3HG2      VAL  49   5.774  -8.151  -1.650
  418   HG22  VAL  49          1HG2      VAL  49   5.081  -7.962  -3.261
  419   HG23  VAL  49          2HG2      VAL  49   4.273  -7.252  -1.865
  420    H    ILE  50           H        ILE  50   6.318  -3.953  -4.485
  421    HA   ILE  50           HA       ILE  50   4.485  -4.786  -6.594
  422    HB   ILE  50           HB       ILE  50   5.109  -1.953  -5.778
  423   HG12  ILE  50          2HG1      ILE  50   3.131  -3.918  -4.615
  424   HG13  ILE  50          1HG1      ILE  50   4.381  -3.014  -3.768
  425   HG21  ILE  50          1HG2      ILE  50   2.420  -2.516  -6.657
  426   HG22  ILE  50          2HG2      ILE  50   3.600  -3.020  -7.865
  427   HG23  ILE  50          3HG2      ILE  50   3.588  -1.355  -7.287
  428   HD11  ILE  50          3HD1      ILE  50   2.183  -2.110  -3.307
  429   HD12  ILE  50          1HD1      ILE  50   1.908  -1.855  -5.031
  430   HD13  ILE  50          2HD1      ILE  50   3.162  -0.941  -4.193
  431    H    ASN  51           H        ASN  51   7.542  -4.919  -6.755
  432    HA   ASN  51           HA       ASN  51   8.540  -3.036  -8.536
  433    HB2  ASN  51           2HB      ASN  51   9.308  -5.672  -7.596
  434    HB3  ASN  51           1HB      ASN  51   9.726  -5.457  -9.293
  435   HD21  ASN  51          1HD2      ASN  51  11.304  -5.569  -6.730
  436   HD22  ASN  51          2HD2      ASN  51  12.319  -4.174  -6.795
  437    H    GLU  52           H        GLU  52   6.722  -5.997  -9.167
  438    HA   GLU  52           HA       GLU  52   6.917  -6.063 -11.939
  439    HB2  GLU  52           2HB      GLU  52   4.436  -6.861 -10.435
  440    HB3  GLU  52           1HB      GLU  52   5.080  -7.554 -11.917
  441    HG2  GLU  52           2HG      GLU  52   7.089  -8.251 -10.501
  442    HG3  GLU  52           1HG      GLU  52   6.069  -7.887  -9.111
  443    HA   PRO  53           HA       PRO  53   5.054  -2.114 -13.033
  444    HB2  PRO  53           2HB      PRO  53   4.597  -3.781 -15.479
  445    HB3  PRO  53           1HB      PRO  53   5.167  -2.113 -15.349
  446    HG2  PRO  53           2HG      PRO  53   6.872  -4.122 -15.795
  447    HG3  PRO  53           1HG      PRO  53   7.312  -2.750 -14.763
  448    HD2  PRO  53           2HD      PRO  53   6.685  -5.543 -14.014
  449    HD3  PRO  53           1HD      PRO  53   7.664  -4.337 -13.159
  450    H    SER  54           H        SER  54   3.536  -5.274 -13.362
  451    HA   SER  54           HA       SER  54   0.932  -4.347 -13.978
  452    HB2  SER  54           2HB      SER  54   0.218  -6.638 -13.263
  453    HB3  SER  54           1HB      SER  54   1.525  -6.640 -14.446
  454    HG   SER  54           HG       SER  54   2.451  -7.885 -13.019
  455    H    ARG  55           H        ARG  55   2.640  -4.897 -10.964
  456    HA   ARG  55           HA       ARG  55   0.283  -4.540  -9.339
  457    HB2  ARG  55           2HB      ARG  55   3.211  -4.829  -8.693
  458    HB3  ARG  55           1HB      ARG  55   1.997  -4.532  -7.458
  459    HG2  ARG  55           2HG      ARG  55   1.056  -6.618  -7.686
  460    HG3  ARG  55           1HG      ARG  55   1.640  -6.817  -9.339
  461    HD2  ARG  55           2HD      ARG  55   3.860  -7.225  -8.596
  462    HD3  ARG  55           1HD      ARG  55   3.473  -6.723  -6.952
  463    HE   ARG  55           HE       ARG  55   2.922  -9.289  -8.174
  464   HH11  ARG  55          1HH1      ARG  55   2.224  -7.117  -5.529
  465   HH12  ARG  55          2HH1      ARG  55   1.649  -8.372  -4.488
  466   HH21  ARG  55          1HH2      ARG  55   2.161 -10.938  -6.804
  467   HH22  ARG  55          2HH2      ARG  55   1.611 -10.540  -5.209
  468    H    LEU  56           H        LEU  56   2.438  -2.459 -10.907
  469    HA   LEU  56           HA       LEU  56   2.922  -0.364  -9.238
  470    HB2  LEU  56           2HB      LEU  56   2.220  -0.467 -12.144
  471    HB3  LEU  56           1HB      LEU  56   2.455   1.081 -11.357
  472    HG   LEU  56           HG       LEU  56   4.521  -1.116 -11.404
  473   HD11  LEU  56          1HD1      LEU  56   4.163   1.298 -13.164
  474   HD12  LEU  56          2HD1      LEU  56   4.248  -0.394 -13.649
  475   HD13  LEU  56          3HD1      LEU  56   5.683   0.415 -13.018
  476   HD21  LEU  56          3HD2      LEU  56   5.979   0.937 -10.850
  477   HD22  LEU  56          1HD2      LEU  56   5.007   0.220  -9.565
  478   HD23  LEU  56          2HD2      LEU  56   4.460   1.693 -10.366
  479    HA   PRO  57           HA       PRO  57  -1.505   1.594 -10.469
  480    HB2  PRO  57           2HB      PRO  57  -3.240  -0.669 -10.458
  481    HB3  PRO  57           1HB      PRO  57  -2.892   0.418 -11.802
  482    HG2  PRO  57           2HG      PRO  57  -1.743  -2.238 -11.176
  483    HG3  PRO  57           1HG      PRO  57  -1.949  -1.440 -12.744
  484    HD2  PRO  57           2HD      PRO  57   0.462  -1.685 -11.606
  485    HD3  PRO  57           1HD      PRO  57   0.022  -0.232 -12.527
  486    H    LEU  58           H        LEU  58  -0.829  -1.217  -8.475
  487    HA   LEU  58           HA       LEU  58  -2.809  -0.961  -6.542
  488    HB2  LEU  58           2HB      LEU  58  -0.831  -2.688  -6.882
  489    HB3  LEU  58           1HB      LEU  58  -0.041  -1.672  -5.693
  490    HG   LEU  58           HG       LEU  58  -2.609  -3.217  -5.342
  491   HD11  LEU  58          1HD1      LEU  58   0.199  -3.670  -4.672
  492   HD12  LEU  58          2HD1      LEU  58  -1.143  -4.810  -4.786
  493   HD13  LEU  58          3HD1      LEU  58  -0.905  -3.874  -3.311
  494   HD21  LEU  58          3HD2      LEU  58  -2.991  -1.222  -4.164
  495   HD22  LEU  58          1HD2      LEU  58  -1.318  -1.125  -3.614
  496   HD23  LEU  58          2HD2      LEU  58  -2.394  -2.357  -2.952
  497    H    PHE  59           H        PHE  59   0.134   0.873  -7.005
  498    HA   PHE  59           HA       PHE  59   0.506   2.067  -4.557
  499    HB2  PHE  59           2HB      PHE  59   1.011   2.891  -7.368
  500    HB3  PHE  59           1HB      PHE  59   1.100   4.149  -6.139
  501    HD1  PHE  59           1HD      PHE  59   2.363   0.719  -6.862
  502    HD2  PHE  59           2HD      PHE  59   3.083   4.486  -5.017
  503    HE1  PHE  59           1HE      PHE  59   4.649   0.005  -6.307
  504    HE2  PHE  59           2HE      PHE  59   5.373   3.777  -4.458
  505    HZ   PHE  59           HZ       PHE  59   6.158   1.535  -5.104
  506    H    ASP  60           H        ASP  60  -1.894   2.834  -7.014
  507    HA   ASP  60           HA       ASP  60  -2.820   5.271  -6.081
  508    HB2  ASP  60           2HB      ASP  60  -4.006   3.038  -7.639
  509    HB3  ASP  60           1HB      ASP  60  -5.125   4.212  -6.951
  510    H    ALA  61           H        ALA  61  -3.798   2.014  -5.114
  511    HA   ALA  61           HA       ALA  61  -5.704   2.887  -3.179
  512    HB1  ALA  61           1HB      ALA  61  -5.351   0.562  -4.416
  513    HB2  ALA  61           2HB      ALA  61  -6.154   0.681  -2.850
  514    HB3  ALA  61           3HB      ALA  61  -4.458   0.206  -2.937
  515    H    ILE  62           H        ILE  62  -2.269   2.370  -3.138
  516    HA   ILE  62           HA       ILE  62  -1.948   2.006  -0.349
  517    HB   ILE  62           HB       ILE  62   0.068   3.206  -2.248
  518   HG12  ILE  62          2HG1      ILE  62  -0.692   1.103  -3.172
  519   HG13  ILE  62          1HG1      ILE  62   0.910   0.872  -2.481
  520   HG21  ILE  62          1HG2      ILE  62   0.915   1.480  -0.022
  521   HG22  ILE  62          2HG2      ILE  62   0.219   3.031   0.446
  522   HG23  ILE  62          3HG2      ILE  62   1.616   2.980  -0.629
  523   HD11  ILE  62          3HD1      ILE  62  -0.671   0.212  -0.382
  524   HD12  ILE  62          1HD1      ILE  62  -0.008  -0.934  -1.545
  525   HD13  ILE  62          2HD1      ILE  62  -1.652  -0.327  -1.744
  526    H    ARG  63           H        ARG  63  -2.098   4.872  -2.399
  527    HA   ARG  63           HA       ARG  63  -1.162   6.774  -0.587
  528    HB2  ARG  63           2HB      ARG  63  -2.797   6.791  -3.029
  529    HB3  ARG  63           1HB      ARG  63  -3.094   8.150  -1.955
  530    HG2  ARG  63           2HG      ARG  63  -0.918   8.944  -2.153
  531    HG3  ARG  63           1HG      ARG  63  -0.305   7.395  -2.738
  532    HD2  ARG  63           2HD      ARG  63  -2.389   8.708  -4.373
  533    HD3  ARG  63           1HD      ARG  63  -0.802   9.478  -4.349
  534    HE   ARG  63           HE       ARG  63  -0.107   6.985  -4.888
  535   HH11  ARG  63          1HH1      ARG  63  -2.710   8.894  -6.226
  536   HH12  ARG  63          2HH1      ARG  63  -2.689   8.075  -7.751
  537   HH21  ARG  63          1HH2      ARG  63  -0.082   5.913  -6.894
  538   HH22  ARG  63          2HH2      ARG  63  -1.200   6.386  -8.130
  539    HA   PRO  64           HA       PRO  64  -6.001   7.458   0.592
  540    HB2  PRO  64           2HB      PRO  64  -6.491   4.510   0.314
  541    HB3  PRO  64           1HB      PRO  64  -7.633   5.852   0.166
  542    HG2  PRO  64           2HG      PRO  64  -6.641   4.672  -2.001
  543    HG3  PRO  64           1HG      PRO  64  -6.889   6.427  -1.952
  544    HD2  PRO  64           2HD      PRO  64  -4.371   4.873  -1.857
  545    HD3  PRO  64           1HD      PRO  64  -4.661   6.523  -2.433
  546    H    LEU  65           H        LEU  65  -4.510   4.292   1.316
  547    HA   LEU  65           HA       LEU  65  -5.209   4.312   4.059
  548    HB2  LEU  65           2HB      LEU  65  -2.892   2.826   2.831
  549    HB3  LEU  65           1HB      LEU  65  -3.782   2.405   4.282
  550    HG   LEU  65           HG       LEU  65  -4.902   2.342   1.479
  551   HD11  LEU  65          1HD1      LEU  65  -3.943   0.145   3.302
  552   HD12  LEU  65          2HD1      LEU  65  -3.289   0.594   1.726
  553   HD13  LEU  65          3HD1      LEU  65  -4.898  -0.118   1.843
  554   HD21  LEU  65          3HD2      LEU  65  -6.081   2.022   4.170
  555   HD22  LEU  65          1HD2      LEU  65  -6.587   0.865   2.939
  556   HD23  LEU  65          2HD2      LEU  65  -6.811   2.594   2.671
  557    H    ILE  66           H        ILE  66  -2.448   5.430   2.244
  558    HA   ILE  66           HA       ILE  66  -0.775   5.962   4.479
  559    HB   ILE  66           HB       ILE  66  -0.691   6.419   1.571
  560   HG12  ILE  66          2HG1      ILE  66   1.701   5.985   3.297
  561   HG13  ILE  66          1HG1      ILE  66   0.513   4.692   3.181
  562   HG21  ILE  66          1HG2      ILE  66   1.181   8.039   1.732
  563   HG22  ILE  66          2HG2      ILE  66   0.791   8.255   3.438
  564   HG23  ILE  66          3HG2      ILE  66  -0.383   8.705   2.201
  565   HD11  ILE  66          3HD1      ILE  66   0.804   5.192   0.591
  566   HD12  ILE  66          1HD1      ILE  66   1.861   4.087   1.471
  567   HD13  ILE  66          2HD1      ILE  66   2.383   5.741   1.150
  568    HA   PRO  67           HA       PRO  67  -2.897   9.548   6.097
  569    HB2  PRO  67           2HB      PRO  67  -0.503  10.678   7.103
  570    HB3  PRO  67           1HB      PRO  67  -1.679   9.708   7.989
  571    HG2  PRO  67           2HG      PRO  67   0.901   8.907   6.779
  572    HG3  PRO  67           1HG      PRO  67   0.060   8.237   8.184
  573    HD2  PRO  67           2HD      PRO  67   0.161   6.948   5.822
  574    HD3  PRO  67           1HD      PRO  67  -1.257   6.849   6.888
  575    H    LEU  68           H        LEU  68  -2.973  11.805   5.754
  576    HA   LEU  68           HA       LEU  68  -2.526  12.679   3.187
  577    HB2  LEU  68           2HB      LEU  68  -2.352  15.001   4.783
  578    HB3  LEU  68           1HB      LEU  68  -3.738  14.387   3.911
  579    HG   LEU  68           HG       LEU  68  -4.323  13.033   5.944
  580   HD11  LEU  68          1HD1      LEU  68  -2.037  13.069   6.933
  581   HD12  LEU  68          2HD1      LEU  68  -3.307  13.559   8.053
  582   HD13  LEU  68          3HD1      LEU  68  -2.275  14.776   7.304
  583   HD21  LEU  68          3HD2      LEU  68  -4.988  15.541   5.290
  584   HD22  LEU  68          1HD2      LEU  68  -4.252  15.835   6.867
  585   HD23  LEU  68          2HD2      LEU  68  -5.609  14.717   6.720
  586    H    LYS  69           H        LYS  69  -0.699  14.092   5.904
  587    HA   LYS  69           HA       LYS  69   1.272  15.353   4.538
  588    HB2  LYS  69           2HB      LYS  69   0.945  14.320   7.219
  589    HB3  LYS  69           1HB      LYS  69   2.625  14.206   6.712
  590    HG2  LYS  69           2HG      LYS  69   2.907  16.356   7.115
  591    HG3  LYS  69           1HG      LYS  69   1.646  16.757   5.947
  592    HD2  LYS  69           2HD      LYS  69   0.554  17.613   7.711
  593    HD3  LYS  69           1HD      LYS  69   0.183  15.934   8.107
  594    HE2  LYS  69           2HE      LYS  69   2.628  16.171   9.224
  595    HE3  LYS  69           1HE      LYS  69   2.042  17.825   9.395
  596    HZ1  LYS  69           3HZ      LYS  69   0.546  15.426  10.301
  597    HZ2  LYS  69           1HZ      LYS  69   0.140  17.045  10.585
  598    HZ3  LYS  69           2HZ      LYS  69   1.516  16.378  11.309
  599    H    HIS  70           H        HIS  70   1.420  11.964   5.608
  600    HA   HIS  70           HA       HIS  70   3.928  11.420   4.429
  601    HB2  HIS  70           2HB      HIS  70   1.684   9.520   5.133
  602    HB3  HIS  70           1HB      HIS  70   3.339   9.047   4.761
  603    HD1  HIS  70           1HD      HIS  70   3.271   7.977   7.219
  604    HD2  HIS  70           2HD      HIS  70   3.167  12.127   7.030
  605    HE1  HIS  70           1HE      HIS  70   3.860   8.770   9.532
  606    HE2  HIS  70           2HE      HIS  70   3.695  11.282   9.417
  607    H    GLN  71           H        GLN  71   0.688  11.473   3.168
  608    HA   GLN  71           HA       GLN  71   1.059   9.891   0.876
  609    HB2  GLN  71           2HB      GLN  71  -1.003  11.469   1.968
  610    HB3  GLN  71           1HB      GLN  71  -0.723  12.095   0.350
  611    HG2  GLN  71           2HG      GLN  71  -0.750   9.431  -0.123
  612    HG3  GLN  71           1HG      GLN  71  -1.885   9.551   1.220
  613   HE21  GLN  71          1HE2      GLN  71  -1.124  10.991  -1.920
  614   HE22  GLN  71          2HE2      GLN  71  -2.761  11.314  -2.365
  615    H    VAL  72           H        VAL  72   1.214  13.412   1.264
  616    HA   VAL  72           HA       VAL  72   2.044  14.036  -1.326
  617    HB   VAL  72           HB       VAL  72   2.850  15.545   1.160
  618   HG11  VAL  72          1HG1      VAL  72   3.616  15.992  -1.394
  619   HG12  VAL  72          2HG1      VAL  72   3.445  17.256  -0.177
  620   HG13  VAL  72          3HG1      VAL  72   2.138  16.954  -1.323
  621   HG21  VAL  72          3HG2      VAL  72   0.743  16.878   0.656
  622   HG22  VAL  72          1HG2      VAL  72   0.519  15.284   1.375
  623   HG23  VAL  72          2HG2      VAL  72   0.252  15.516  -0.352
  624    H    GLU  73           H        GLU  73   3.993  13.492   1.608
  625    HA   GLU  73           HA       GLU  73   6.493  13.823   0.331
  626    HB2  GLU  73           2HB      GLU  73   6.224  13.958   2.771
  627    HB3  GLU  73           1HB      GLU  73   5.807  12.250   2.825
  628    HG2  GLU  73           2HG      GLU  73   7.937  11.652   2.884
  629    HG3  GLU  73           1HG      GLU  73   8.323  12.649   1.482
  630    H    TYR  74           H        TYR  74   4.381  11.055   0.771
  631    HA   TYR  74           HA       TYR  74   6.143   9.011   0.056
  632    HB2  TYR  74           2HB      TYR  74   3.872   8.606   0.941
  633    HB3  TYR  74           1HB      TYR  74   3.183   9.212  -0.562
  634    HD1  TYR  74           1HD      TYR  74   5.946   6.812   0.210
  635    HD2  TYR  74           2HD      TYR  74   2.239   7.486  -1.760
  636    HE1  TYR  74           1HE      TYR  74   6.045   4.543  -0.737
  637    HE2  TYR  74           2HE      TYR  74   2.325   5.220  -2.714
  638    HH   TYR  74           HH       TYR  74   3.420   3.018  -2.125
  639    H    ASP  75           H        ASP  75   4.221  11.220  -1.882
  640    HA   ASP  75           HA       ASP  75   4.914  10.059  -4.397
  641    HB2  ASP  75           2HB      ASP  75   3.566  12.582  -3.514
  642    HB3  ASP  75           1HB      ASP  75   4.122  12.445  -5.180
  643    H    GLN  76           H        GLN  76   6.247  12.564  -2.331
  644    HA   GLN  76           HA       GLN  76   8.005  13.712  -4.224
  645    HB2  GLN  76           2HB      GLN  76   7.943  13.640  -1.220
  646    HB3  GLN  76           1HB      GLN  76   9.284  14.387  -2.077
  647    HG2  GLN  76           2HG      GLN  76   7.242  15.592  -3.320
  648    HG3  GLN  76           1HG      GLN  76   6.498  15.293  -1.751
  649   HE21  GLN  76          1HE2      GLN  76   6.441  17.370  -1.046
  650   HE22  GLN  76          2HE2      GLN  76   7.850  18.312  -0.712
  651    H    LEU  77           H        LEU  77   8.262  10.949  -2.083
  652    HA   LEU  77           HA       LEU  77  11.066  10.547  -2.608
  653    HB2  LEU  77           2HB      LEU  77   9.036   8.757  -1.274
  654    HB3  LEU  77           1HB      LEU  77  10.762   8.458  -1.326
  655    HG   LEU  77           HG       LEU  77   9.722  10.996  -0.121
  656   HD11  LEU  77          1HD1      LEU  77   8.484   9.096   0.895
  657   HD12  LEU  77          2HD1      LEU  77   9.528   9.957   2.028
  658   HD13  LEU  77          3HD1      LEU  77  10.032   8.399   1.371
  659   HD21  LEU  77          3HD2      LEU  77  11.771  10.806   1.200
  660   HD22  LEU  77          1HD2      LEU  77  12.115  10.787  -0.529
  661   HD23  LEU  77          2HD2      LEU  77  12.151   9.285   0.394
  662    H    THR  78           H        THR  78   8.018   9.126  -3.656
  663    HA   THR  78           HA       THR  78   9.278   7.117  -5.275
  664    HB   THR  78           HB       THR  78   6.926   6.796  -6.158
  665    HG1  THR  78           1HG      THR  78   6.186   8.563  -4.085
  666   HG21  THR  78          3HG2      THR  78   6.030   6.326  -3.678
  667   HG22  THR  78          1HG2      THR  78   7.760   6.444  -3.361
  668   HG23  THR  78          2HG2      THR  78   7.156   5.269  -4.529
  669    HA   PRO  79           HA       PRO  79   9.946   9.322  -9.022
  670    HB2  PRO  79           2HB      PRO  79   9.149   7.505 -10.905
  671    HB3  PRO  79           1HB      PRO  79  10.677   7.398 -10.024
  672    HG2  PRO  79           2HG      PRO  79   8.092   5.977  -9.517
  673    HG3  PRO  79           1HG      PRO  79   9.748   5.342  -9.465
  674    HD2  PRO  79           2HD      PRO  79   8.398   5.984  -7.225
  675    HD3  PRO  79           1HD      PRO  79  10.152   6.221  -7.364
  676    H    ARG  80           H        ARG  80   8.332  10.937  -8.699
  677    HA   ARG  80           HA       ARG  80   6.535  12.187  -9.310
  678    HB2  ARG  80           2HB      ARG  80   7.349  10.835 -11.606
  679    HB3  ARG  80           1HB      ARG  80   5.610  10.584 -11.552
  680    HG2  ARG  80           2HG      ARG  80   5.688  12.530 -12.727
  681    HG3  ARG  80           1HG      ARG  80   5.589  13.176 -11.087
  682    HD2  ARG  80           2HD      ARG  80   8.287  12.839 -11.423
  683    HD3  ARG  80           1HD      ARG  80   7.763  13.315 -13.038
  684    HE   ARG  80           HE       ARG  80   6.623  15.026 -11.101
  685   HH11  ARG  80          1HH1      ARG  80   9.664  14.321 -12.662
  686   HH12  ARG  80          2HH1      ARG  80  10.278  15.928 -12.471
  687   HH21  ARG  80          1HH2      ARG  80   7.431  17.141 -10.846
  688   HH22  ARG  80          2HH2      ARG  80   9.011  17.529 -11.439
  Start of MODEL    5
    1    H1   MET   1           1HT      MET   1 -18.493   0.368   4.286
    2    H2   MET   1           2HT      MET   1 -19.302  -0.908   5.099
    3    H3   MET   1           3HT      MET   1 -17.862  -0.244   5.756
    4    HA   MET   1           HA       MET   1 -20.519   0.982   5.539
    5    HB2  MET   1           2HB      MET   1 -18.647   0.174   7.757
    6    HB3  MET   1           1HB      MET   1 -19.961   1.310   8.029
    7    HG2  MET   1           2HG      MET   1 -21.426  -0.557   6.962
    8    HG3  MET   1           1HG      MET   1 -20.072  -1.599   7.395
    9    HE1  MET   1           2HE      MET   1 -19.397  -2.325   9.322
   10    HE2  MET   1           3HE      MET   1 -20.400  -2.490  10.762
   11    HE3  MET   1           1HE      MET   1 -19.256  -1.154  10.634
   12    H    ASP   2           H        ASP   2 -17.208   1.641   6.708
   13    HA   ASP   2           HA       ASP   2 -17.666   4.491   6.166
   14    HB2  ASP   2           2HB      ASP   2 -15.640   4.828   7.621
   15    HB3  ASP   2           1HB      ASP   2 -17.026   4.119   8.443
   16    H    ARG   3           H        ARG   3 -16.098   5.722   5.061
   17    HA   ARG   3           HA       ARG   3 -14.624   6.148   3.383
   18    HB2  ARG   3           2HB      ARG   3 -13.357   3.693   4.588
   19    HB3  ARG   3           1HB      ARG   3 -12.624   4.566   3.249
   20    HG2  ARG   3           2HG      ARG   3 -11.867   6.193   4.576
   21    HG3  ARG   3           1HG      ARG   3 -13.384   6.294   5.471
   22    HD2  ARG   3           2HD      ARG   3 -11.961   3.834   6.040
   23    HD3  ARG   3           1HD      ARG   3 -10.973   5.254   6.383
   24    HE   ARG   3           HE       ARG   3 -13.314   4.383   7.806
   25   HH11  ARG   3          1HH1      ARG   3 -11.288   7.118   7.034
   26   HH12  ARG   3          2HH1      ARG   3 -11.744   8.015   8.443
   27   HH21  ARG   3          1HH2      ARG   3 -13.918   5.561   9.660
   28   HH22  ARG   3          2HH2      ARG   3 -13.238   7.130   9.935
   29    H    LYS   4           H        LYS   4 -13.557   5.093   1.359
   30    HA   LYS   4           HA       LYS   4 -15.322   2.999   0.289
   31    HB2  LYS   4           2HB      LYS   4 -15.327   4.234  -1.891
   32    HB3  LYS   4           1HB      LYS   4 -16.201   5.041  -0.597
   33    HG2  LYS   4           2HG      LYS   4 -13.823   6.206  -0.278
   34    HG3  LYS   4           1HG      LYS   4 -13.726   5.835  -2.000
   35    HD2  LYS   4           2HD      LYS   4 -15.690   7.087  -2.467
   36    HD3  LYS   4           1HD      LYS   4 -16.077   7.240  -0.753
   37    HE2  LYS   4           2HE      LYS   4 -13.605   8.343  -0.819
   38    HE3  LYS   4           1HE      LYS   4 -14.200   8.775  -2.420
   39    HZ1  LYS   4           3HZ      LYS   4 -15.173   9.609   0.214
   40    HZ2  LYS   4           1HZ      LYS   4 -16.295   9.484  -1.047
   41    HZ3  LYS   4           2HZ      LYS   4 -14.968  10.520  -1.196
   42    H    VAL   5           H        VAL   5 -12.293   4.801  -0.112
   43    HA   VAL   5           HA       VAL   5 -11.106   3.236  -2.075
   44    HB   VAL   5           HB       VAL   5  -9.589   4.466   0.223
   45   HG11  VAL   5          1HG1      VAL   5  -7.760   4.005  -0.951
   46   HG12  VAL   5          2HG1      VAL   5  -8.438   4.744  -2.402
   47   HG13  VAL   5          3HG1      VAL   5  -8.767   3.049  -2.040
   48   HG21  VAL   5          3HG2      VAL   5  -9.498   6.368  -1.680
   49   HG22  VAL   5          1HG2      VAL   5 -10.672   6.360  -0.363
   50   HG23  VAL   5          2HG2      VAL   5 -11.123   5.740  -1.952
   51    H    ALA   6           H        ALA   6 -11.555   2.593   1.320
   52    HA   ALA   6           HA       ALA   6  -9.606   0.598   1.662
   53    HB1  ALA   6           1HB      ALA   6 -11.480  -0.190   3.409
   54    HB2  ALA   6           2HB      ALA   6 -12.043   1.452   3.093
   55    HB3  ALA   6           3HB      ALA   6 -10.408   1.181   3.696
   56    H    ARG   7           H        ARG   7 -13.022   0.373   0.758
   57    HA   ARG   7           HA       ARG   7 -13.115  -2.431   0.527
   58    HB2  ARG   7           2HB      ARG   7 -14.820  -0.161  -0.251
   59    HB3  ARG   7           1HB      ARG   7 -15.004  -1.591  -1.257
   60    HG2  ARG   7           2HG      ARG   7 -15.279  -2.877   0.933
   61    HG3  ARG   7           1HG      ARG   7 -15.499  -1.295   1.683
   62    HD2  ARG   7           2HD      ARG   7 -17.662  -2.153   1.161
   63    HD3  ARG   7           1HD      ARG   7 -17.314  -0.851   0.023
   64    HE   ARG   7           HE       ARG   7 -16.619  -3.470  -0.947
   65   HH11  ARG   7          1HH1      ARG   7 -19.166  -1.101  -0.663
   66   HH12  ARG   7          2HH1      ARG   7 -20.057  -1.714  -2.015
   67   HH21  ARG   7          1HH2      ARG   7 -17.789  -4.276  -2.726
   68   HH22  ARG   7          2HH2      ARG   7 -19.277  -3.516  -3.187
   69    H    GLU   8           H        GLU   8 -12.635   0.096  -1.904
   70    HA   GLU   8           HA       GLU   8 -12.271  -1.673  -4.082
   71    HB2  GLU   8           2HB      GLU   8 -11.210   1.143  -3.799
   72    HB3  GLU   8           1HB      GLU   8 -11.467   0.262  -5.299
   73    HG2  GLU   8           2HG      GLU   8 -13.918   0.278  -3.887
   74    HG3  GLU   8           1HG      GLU   8 -13.273   1.919  -3.867
   75    H    PHE   9           H        PHE   9 -10.132  -0.359  -1.656
   76    HA   PHE   9           HA       PHE   9  -7.666  -0.868  -2.881
   77    HB2  PHE   9           2HB      PHE   9  -7.777   0.504  -0.901
   78    HB3  PHE   9           1HB      PHE   9  -8.447  -0.824   0.040
   79    HD1  PHE   9           1HD      PHE   9  -5.619  -1.052  -2.334
   80    HD2  PHE   9           2HD      PHE   9  -6.837  -0.973   1.742
   81    HE1  PHE   9           1HE      PHE   9  -3.350  -1.708  -1.648
   82    HE2  PHE   9           2HE      PHE   9  -4.570  -1.630   2.437
   83    HZ   PHE   9           HZ       PHE   9  -2.822  -1.998   0.740
   84    H    ARG  10           H        ARG  10  -9.628  -2.905  -0.725
   85    HA   ARG  10           HA       ARG  10  -7.830  -5.099  -0.743
   86    HB2  ARG  10           2HB      ARG  10 -10.007  -4.464   0.732
   87    HB3  ARG  10           1HB      ARG  10 -10.710  -5.657  -0.353
   88    HG2  ARG  10           2HG      ARG  10  -9.255  -7.348   0.397
   89    HG3  ARG  10           1HG      ARG  10  -8.199  -6.188   1.206
   90    HD2  ARG  10           2HD      ARG  10 -10.145  -5.628   2.699
   91    HD3  ARG  10           1HD      ARG  10 -10.989  -7.004   1.991
   92    HE   ARG  10           HE       ARG  10  -8.441  -7.774   2.968
   93   HH11  ARG  10          1HH1      ARG  10 -11.664  -6.952   4.025
   94   HH12  ARG  10          2HH1      ARG  10 -11.566  -7.896   5.473
   95   HH21  ARG  10          1HH2      ARG  10  -8.310  -9.018   4.875
   96   HH22  ARG  10          2HH2      ARG  10  -9.662  -9.068   5.956
   97    H    HIS  11           H        HIS  11 -10.697  -4.304  -2.657
   98    HA   HIS  11           HA       HIS  11 -10.850  -6.729  -4.078
   99    HB2  HIS  11           2HB      HIS  11 -11.830  -3.945  -4.686
  100    HB3  HIS  11           1HB      HIS  11 -12.126  -5.299  -5.771
  101    HD1  HIS  11           1HD      HIS  11 -12.518  -7.232  -3.116
  102    HD2  HIS  11           2HD      HIS  11 -14.625  -3.819  -4.204
  103    HE1  HIS  11           1HE      HIS  11 -14.739  -7.413  -1.951
  104    HE2  HIS  11           2HE      HIS  11 -16.031  -5.382  -2.697
  105    H    LYS  12           H        LYS  12  -9.437  -3.595  -5.064
  106    HA   LYS  12           HA       LYS  12  -8.479  -4.458  -7.542
  107    HB2  LYS  12           2HB      LYS  12  -6.944  -2.512  -7.425
  108    HB3  LYS  12           1HB      LYS  12  -8.611  -2.107  -7.046
  109    HG2  LYS  12           2HG      LYS  12  -7.728  -1.032  -5.302
  110    HG3  LYS  12           1HG      LYS  12  -7.619  -2.633  -4.576
  111    HD2  LYS  12           2HD      LYS  12  -5.478  -1.732  -4.300
  112    HD3  LYS  12           1HD      LYS  12  -5.323  -2.781  -5.710
  113    HE2  LYS  12           2HE      LYS  12  -6.125  -0.059  -6.380
  114    HE3  LYS  12           1HE      LYS  12  -4.563  -0.141  -5.566
  115    HZ1  LYS  12           3HZ      LYS  12  -5.357  -1.527  -8.065
  116    HZ2  LYS  12           1HZ      LYS  12  -3.921  -1.852  -7.231
  117    HZ3  LYS  12           2HZ      LYS  12  -4.188  -0.317  -7.888
  118    H    VAL  13           H        VAL  13  -6.846  -4.389  -4.377
  119    HA   VAL  13           HA       VAL  13  -4.322  -5.212  -5.160
  120    HB   VAL  13           HB       VAL  13  -5.835  -5.859  -2.628
  121   HG11  VAL  13          1HG1      VAL  13  -4.246  -7.345  -2.148
  122   HG12  VAL  13          2HG1      VAL  13  -3.114  -5.997  -2.071
  123   HG13  VAL  13          3HG1      VAL  13  -3.306  -6.901  -3.571
  124   HG21  VAL  13          3HG2      VAL  13  -3.520  -4.026  -2.664
  125   HG22  VAL  13          1HG2      VAL  13  -5.037  -3.924  -1.769
  126   HG23  VAL  13          2HG2      VAL  13  -4.981  -3.457  -3.469
  127    H    ASP  14           H        ASP  14  -7.068  -7.269  -4.191
  128    HA   ASP  14           HA       ASP  14  -5.783  -9.726  -4.661
  129    HB2  ASP  14           2HB      ASP  14  -7.950  -9.319  -3.382
  130    HB3  ASP  14           1HB      ASP  14  -8.749  -9.250  -4.951
  131    H    PHE  15           H        PHE  15  -7.367  -7.469  -6.786
  132    HA   PHE  15           HA       PHE  15  -7.760  -9.225  -8.978
  133    HB2  PHE  15           2HB      PHE  15  -8.910  -7.019  -8.659
  134    HB3  PHE  15           1HB      PHE  15  -7.394  -6.226  -9.076
  135    HD1  PHE  15           1HD      PHE  15  -9.087  -9.194 -10.557
  136    HD2  PHE  15           2HD      PHE  15  -7.700  -5.211 -11.120
  137    HE1  PHE  15           1HE      PHE  15  -9.677  -9.331 -12.941
  138    HE2  PHE  15           2HE      PHE  15  -8.289  -5.341 -13.507
  139    HZ   PHE  15           HZ       PHE  15  -9.278  -7.402 -14.420
  140    H    LEU  16           H        LEU  16  -5.228  -6.804  -8.297
  141    HA   LEU  16           HA       LEU  16  -3.700  -7.578 -10.593
  142    HB2  LEU  16           2HB      LEU  16  -1.904  -6.139  -9.405
  143    HB3  LEU  16           1HB      LEU  16  -3.318  -5.369 -10.095
  144    HG   LEU  16           HG       LEU  16  -3.795  -6.069  -7.328
  145   HD11  LEU  16          1HD1      LEU  16  -2.135  -4.984  -6.192
  146   HD12  LEU  16          2HD1      LEU  16  -1.695  -3.978  -7.571
  147   HD13  LEU  16          3HD1      LEU  16  -1.202  -5.670  -7.523
  148   HD21  LEU  16          3HD2      LEU  16  -4.609  -3.874  -7.207
  149   HD22  LEU  16          1HD2      LEU  16  -4.952  -4.388  -8.858
  150   HD23  LEU  16          2HD2      LEU  16  -3.582  -3.328  -8.532
  151    H    ILE  17           H        ILE  17  -3.070  -7.825  -7.102
  152    HA   ILE  17           HA       ILE  17  -0.843  -9.569  -7.474
  153    HB   ILE  17           HB       ILE  17  -2.399  -9.111  -4.931
  154   HG12  ILE  17          2HG1      ILE  17  -0.068  -7.586  -6.112
  155   HG13  ILE  17          1HG1      ILE  17  -1.685  -6.965  -5.792
  156   HG21  ILE  17          1HG2      ILE  17   0.483  -9.600  -4.804
  157   HG22  ILE  17          2HG2      ILE  17  -0.450 -10.956  -5.439
  158   HG23  ILE  17          3HG2      ILE  17  -0.831 -10.291  -3.851
  159   HD11  ILE  17          3HD1      ILE  17  -1.341  -7.066  -3.445
  160   HD12  ILE  17          1HD1      ILE  17   0.067  -6.275  -4.155
  161   HD13  ILE  17          2HD1      ILE  17   0.165  -7.961  -3.644
  162    H    GLU  18           H        GLU  18  -3.828 -10.210  -5.661
  163    HA   GLU  18           HA       GLU  18  -5.224 -12.016  -5.618
  164    HB2  GLU  18           2HB      GLU  18  -4.476 -12.003  -8.207
  165    HB3  GLU  18           1HB      GLU  18  -3.795 -13.548  -7.711
  166    HG2  GLU  18           2HG      GLU  18  -6.221 -13.832  -6.664
  167    HG3  GLU  18           1HG      GLU  18  -6.620 -12.703  -7.958
  168    H    ASN  19           H        ASN  19  -2.049 -12.001  -4.857
  169    HA   ASN  19           HA       ASN  19  -1.884 -14.822  -4.137
  170    HB2  ASN  19           2HB      ASN  19   0.069 -12.610  -4.458
  171    HB3  ASN  19           1HB      ASN  19   0.444 -13.826  -3.241
  172   HD21  ASN  19          1HD2      ASN  19   2.267 -14.324  -4.591
  173   HD22  ASN  19          2HD2      ASN  19   2.066 -15.366  -5.954
  174    H    ASP  20           H        ASP  20  -1.943 -15.566  -2.077
  175    HA   ASP  20           HA       ASP  20  -3.037 -13.834  -0.067
  176    HB2  ASP  20           2HB      ASP  20  -3.365 -16.447  -0.543
  177    HB3  ASP  20           1HB      ASP  20  -2.077 -16.554   0.653
  178    H    ALA  21           H        ALA  21   0.039 -15.458  -0.616
  179    HA   ALA  21           HA       ALA  21   1.220 -14.772   1.861
  180    HB1  ALA  21           1HB      ALA  21   3.371 -15.086   0.302
  181    HB2  ALA  21           2HB      ALA  21   2.162 -15.865  -0.717
  182    HB3  ALA  21           3HB      ALA  21   2.432 -16.441   0.928
  183    H    GLU  22           H        GLU  22   1.324 -13.276  -1.338
  184    HA   GLU  22           HA       GLU  22   3.088 -11.177  -0.629
  185    HB2  GLU  22           2HB      GLU  22   1.333 -11.821  -2.928
  186    HB3  GLU  22           1HB      GLU  22   1.743 -10.125  -2.720
  187    HG2  GLU  22           2HG      GLU  22   4.001 -10.491  -3.064
  188    HG3  GLU  22           1HG      GLU  22   3.883 -12.207  -2.681
  189    H    LYS  23           H        LYS  23  -0.396 -11.553  -0.504
  190    HA   LYS  23           HA       LYS  23  -0.978  -8.814   0.017
  191    HB2  LYS  23           2HB      LYS  23  -2.465 -11.360  -0.028
  192    HB3  LYS  23           1HB      LYS  23  -3.104 -10.149   1.074
  193    HG2  LYS  23           2HG      LYS  23  -2.991  -8.546  -0.919
  194    HG3  LYS  23           1HG      LYS  23  -2.801 -10.000  -1.901
  195    HD2  LYS  23           2HD      LYS  23  -5.030  -9.835   0.081
  196    HD3  LYS  23           1HD      LYS  23  -5.179  -9.010  -1.471
  197    HE2  LYS  23           2HE      LYS  23  -5.275 -10.956  -2.652
  198    HE3  LYS  23           1HE      LYS  23  -4.264 -11.830  -1.503
  199    HZ1  LYS  23           3HZ      LYS  23  -6.393 -11.415   0.000
  200    HZ2  LYS  23           1HZ      LYS  23  -6.242 -12.768  -1.004
  201    HZ3  LYS  23           2HZ      LYS  23  -7.150 -11.436  -1.512
  202    H    ASP  24           H        ASP  24  -0.273 -11.614   2.018
  203    HA   ASP  24           HA       ASP  24  -0.977 -10.407   4.495
  204    HB2  ASP  24           2HB      ASP  24  -0.414 -12.946   3.754
  205    HB3  ASP  24           1HB      ASP  24   1.121 -12.498   4.490
  206    H    TYR  25           H        TYR  25   1.968 -10.580   2.591
  207    HA   TYR  25           HA       TYR  25   3.726  -9.552   4.553
  208    HB2  TYR  25           2HB      TYR  25   4.462 -10.748   2.500
  209    HB3  TYR  25           1HB      TYR  25   3.967  -9.356   1.543
  210    HD1  TYR  25           1HD      TYR  25   5.814  -9.555   4.781
  211    HD2  TYR  25           2HD      TYR  25   5.902  -8.411   0.685
  212    HE1  TYR  25           1HE      TYR  25   8.032  -8.546   5.117
  213    HE2  TYR  25           2HE      TYR  25   8.120  -7.400   1.008
  214    HH   TYR  25           HH       TYR  25   9.478  -6.488   2.840
  215    H    LEU  26           H        LEU  26   2.043  -7.980   1.834
  216    HA   LEU  26           HA       LEU  26   2.970  -5.380   2.398
  217    HB2  LEU  26           2HB      LEU  26   1.523  -4.636   0.745
  218    HB3  LEU  26           1HB      LEU  26   1.849  -6.290   0.266
  219    HG   LEU  26           HG       LEU  26  -0.372  -6.748   1.650
  220   HD11  LEU  26          1HD1      LEU  26  -1.807  -5.024   1.918
  221   HD12  LEU  26          2HD1      LEU  26  -1.223  -4.173   0.487
  222   HD13  LEU  26          3HD1      LEU  26  -0.311  -4.093   1.993
  223   HD21  LEU  26          3HD2      LEU  26   0.045  -7.266  -0.724
  224   HD22  LEU  26          1HD2      LEU  26  -0.381  -5.607  -1.141
  225   HD23  LEU  26          2HD2      LEU  26  -1.592  -6.677  -0.436
  226    H    TYR  27           H        TYR  27   0.301  -7.260   3.642
  227    HA   TYR  27           HA       TYR  27  -1.143  -5.139   4.826
  228    HB2  TYR  27           2HB      TYR  27  -1.429  -7.924   4.605
  229    HB3  TYR  27           1HB      TYR  27  -1.372  -7.596   6.333
  230    HD1  TYR  27           1HD      TYR  27  -2.868  -5.754   3.442
  231    HD2  TYR  27           2HD      TYR  27  -3.507  -7.636   7.203
  232    HE1  TYR  27           1HE      TYR  27  -5.227  -5.064   3.381
  233    HE2  TYR  27           2HE      TYR  27  -5.868  -6.951   7.152
  234    HH   TYR  27           HH       TYR  27  -7.385  -5.789   4.371
  235    H    ASP  28           H        ASP  28   1.403  -7.268   6.022
  236    HA   ASP  28           HA       ASP  28   1.407  -6.305   8.681
  237    HB2  ASP  28           2HB      ASP  28   3.205  -7.965   7.002
  238    HB3  ASP  28           1HB      ASP  28   3.933  -7.194   8.409
  239    H    VAL  29           H        VAL  29   3.122  -5.333   5.762
  240    HA   VAL  29           HA       VAL  29   4.956  -3.559   6.920
  241    HB   VAL  29           HB       VAL  29   3.661  -3.244   4.210
  242   HG11  VAL  29          1HG1      VAL  29   5.279  -1.753   3.687
  243   HG12  VAL  29          2HG1      VAL  29   6.491  -2.552   4.691
  244   HG13  VAL  29          3HG1      VAL  29   5.288  -1.497   5.432
  245   HG21  VAL  29          3HG2      VAL  29   6.277  -4.542   4.328
  246   HG22  VAL  29          1HG2      VAL  29   4.842  -4.962   3.392
  247   HG23  VAL  29          2HG2      VAL  29   4.983  -5.482   5.071
  248    H    LEU  30           H        LEU  30   1.721  -2.941   5.568
  249    HA   LEU  30           HA       LEU  30   1.671  -0.184   6.130
  250    HB2  LEU  30           2HB      LEU  30  -0.402  -2.256   5.552
  251    HB3  LEU  30           1HB      LEU  30  -0.916  -0.681   6.127
  252    HG   LEU  30           HG       LEU  30   0.963  -0.748   3.825
  253   HD11  LEU  30          1HD1      LEU  30  -1.346  -0.820   2.482
  254   HD12  LEU  30          2HD1      LEU  30  -1.756  -1.904   3.812
  255   HD13  LEU  30          3HD1      LEU  30  -0.365  -2.254   2.785
  256   HD21  LEU  30          3HD2      LEU  30  -0.442   1.162   3.132
  257   HD22  LEU  30          1HD2      LEU  30   0.269   1.379   4.732
  258   HD23  LEU  30          2HD2      LEU  30  -1.428   0.928   4.576
  259    H    ARG  31           H        ARG  31   0.542  -2.989   7.979
  260    HA   ARG  31           HA       ARG  31  -0.675  -1.620  10.086
  261    HB2  ARG  31           2HB      ARG  31   0.561  -4.331   9.798
  262    HB3  ARG  31           1HB      ARG  31   0.077  -3.774  11.394
  263    HG2  ARG  31           2HG      ARG  31  -1.944  -3.448   9.287
  264    HG3  ARG  31           1HG      ARG  31  -1.533  -5.114   9.696
  265    HD2  ARG  31           2HD      ARG  31  -1.927  -4.555  12.090
  266    HD3  ARG  31           1HD      ARG  31  -2.487  -2.963  11.579
  267    HE   ARG  31           HE       ARG  31  -4.038  -4.642  10.140
  268   HH11  ARG  31          1HH1      ARG  31  -3.293  -4.424  13.543
  269   HH12  ARG  31          2HH1      ARG  31  -4.822  -5.063  14.047
  270   HH21  ARG  31          1HH2      ARG  31  -6.049  -5.484  10.800
  271   HH22  ARG  31          2HH2      ARG  31  -6.386  -5.665  12.490
  272    H    MET  32           H        MET  32   2.685  -2.504   9.545
  273    HA   MET  32           HA       MET  32   3.531  -1.514  12.124
  274    HB2  MET  32           2HB      MET  32   4.804  -2.883   9.827
  275    HB3  MET  32           1HB      MET  32   5.844  -1.820  10.764
  276    HG2  MET  32           2HG      MET  32   4.151  -3.782  12.216
  277    HG3  MET  32           1HG      MET  32   5.574  -4.366  11.357
  278    HE1  MET  32           3HE      MET  32   4.525  -4.120  14.515
  279    HE2  MET  32           1HE      MET  32   4.289  -2.372  14.538
  280    HE3  MET  32           2HE      MET  32   5.568  -3.101  15.510
  281    H    TYR  33           H        TYR  33   3.347  -0.375   8.835
  282    HA   TYR  33           HA       TYR  33   5.100   1.809   9.000
  283    HB2  TYR  33           2HB      TYR  33   4.317   1.101   6.848
  284    HB3  TYR  33           1HB      TYR  33   2.637   1.338   7.314
  285    HD1  TYR  33           1HD      TYR  33   5.766   3.398   7.259
  286    HD2  TYR  33           2HD      TYR  33   1.619   3.157   6.346
  287    HE1  TYR  33           1HE      TYR  33   5.839   5.680   6.347
  288    HE2  TYR  33           2HE      TYR  33   1.680   5.437   5.430
  289    HH   TYR  33           HH       TYR  33   3.619   6.947   4.380
  290    H    HIS  34           H        HIS  34   1.764   1.402   9.993
  291    HA   HIS  34           HA       HIS  34   1.248   4.164  10.464
  292    HB2  HIS  34           2HB      HIS  34  -0.136   1.719  11.587
  293    HB3  HIS  34           1HB      HIS  34  -0.755   3.367  11.651
  294    HD1  HIS  34           1HD      HIS  34  -2.010   0.779  10.149
  295    HD2  HIS  34           2HD      HIS  34  -0.089   4.036   8.424
  296    HE1  HIS  34           1HE      HIS  34  -2.838   0.869   7.776
  297    HE2  HIS  34           2HE      HIS  34  -1.712   2.886   6.770
  298    H    GLN  35           H        GLN  35   2.194   1.453  12.548
  299    HA   GLN  35           HA       GLN  35   2.241   3.038  14.926
  300    HB2  GLN  35           2HB      GLN  35   2.810   0.247  14.191
  301    HB3  GLN  35           1HB      GLN  35   3.776   0.862  15.524
  302    HG2  GLN  35           2HG      GLN  35   1.283   1.713  16.209
  303    HG3  GLN  35           1HG      GLN  35   0.938   0.178  15.411
  304   HE21  GLN  35          1HE2      GLN  35   0.842   1.092  18.266
  305   HE22  GLN  35          2HE2      GLN  35   1.757  -0.090  19.131
  306    H    THR  36           H        THR  36   4.705   1.795  12.718
  307    HA   THR  36           HA       THR  36   6.875   2.975  14.177
  308    HB   THR  36           HB       THR  36   8.280   2.197  12.362
  309    HG1  THR  36           1HG      THR  36   5.826   1.841  11.010
  310   HG21  THR  36          3HG2      THR  36   6.125   0.219  13.050
  311   HG22  THR  36          1HG2      THR  36   7.688   0.432  13.841
  312   HG23  THR  36          2HG2      THR  36   7.611  -0.191  12.193
  313    H    MET  37           H        MET  37   5.020   3.801  11.287
  314    HA   MET  37           HA       MET  37   4.797   5.743  10.124
  315    HB2  MET  37           2HB      MET  37   4.963   6.514  12.748
  316    HB3  MET  37           1HB      MET  37   6.259   7.450  12.019
  317    HG2  MET  37           2HG      MET  37   4.638   8.929  11.606
  318    HG3  MET  37           1HG      MET  37   4.275   7.878  10.239
  319    HE1  MET  37           3HE      MET  37   1.233   8.105  10.129
  320    HE2  MET  37           1HE      MET  37   1.071   6.441  10.691
  321    HE3  MET  37           2HE      MET  37   2.468   6.915   9.722
  322    H    ASP  38           H        ASP  38   6.709   4.302   9.111
  323    HA   ASP  38           HA       ASP  38   8.953   6.159   8.668
  324    HB2  ASP  38           2HB      ASP  38   9.133   3.608   9.725
  325    HB3  ASP  38           1HB      ASP  38   9.518   3.363   8.024
  326    H    VAL  39           H        VAL  39   8.223   7.143   6.836
  327    HA   VAL  39           HA       VAL  39   6.923   5.824   4.700
  328    HB   VAL  39           HB       VAL  39   8.473   8.410   4.548
  329   HG11  VAL  39          1HG1      VAL  39   7.953   7.800   2.363
  330   HG12  VAL  39          2HG1      VAL  39   6.619   8.860   2.818
  331   HG13  VAL  39          3HG1      VAL  39   6.397   7.110   2.824
  332   HG21  VAL  39          3HG2      VAL  39   6.436   7.942   6.290
  333   HG22  VAL  39          1HG2      VAL  39   5.561   8.532   4.876
  334   HG23  VAL  39          2HG2      VAL  39   6.830   9.517   5.604
  335    H    ALA  40           H        ALA  40  10.302   6.635   5.318
  336    HA   ALA  40           HA       ALA  40  11.370   6.051   2.811
  337    HB1  ALA  40           1HB      ALA  40  12.996   5.284   5.151
  338    HB2  ALA  40           2HB      ALA  40  12.412   6.948   5.116
  339    HB3  ALA  40           3HB      ALA  40  13.391   6.328   3.786
  340    H    VAL  41           H        VAL  41  11.066   3.909   5.644
  341    HA   VAL  41           HA       VAL  41  12.062   1.603   4.373
  342    HB   VAL  41           HB       VAL  41  10.085   1.653   6.654
  343   HG11  VAL  41          1HG1      VAL  41  12.073  -0.370   5.655
  344   HG12  VAL  41          2HG1      VAL  41  10.333  -0.557   5.874
  345   HG13  VAL  41          3HG1      VAL  41  11.391  -0.431   7.280
  346   HG21  VAL  41          3HG2      VAL  41  13.071   2.039   6.652
  347   HG22  VAL  41          1HG2      VAL  41  12.162   1.563   8.086
  348   HG23  VAL  41          2HG2      VAL  41  11.835   3.111   7.309
  349    H    LEU  42           H        LEU  42   8.827   2.951   4.633
  350    HA   LEU  42           HA       LEU  42   7.376   0.741   3.691
  351    HB2  LEU  42           2HB      LEU  42   6.304   2.639   4.765
  352    HB3  LEU  42           1HB      LEU  42   6.790   3.691   3.450
  353    HG   LEU  42           HG       LEU  42   5.387   1.874   2.050
  354   HD11  LEU  42          1HD1      LEU  42   3.251   1.719   3.636
  355   HD12  LEU  42          2HD1      LEU  42   4.511   1.637   4.865
  356   HD13  LEU  42          3HD1      LEU  42   4.476   0.453   3.559
  357   HD21  LEU  42          3HD2      LEU  42   3.954   3.582   1.682
  358   HD22  LEU  42          1HD2      LEU  42   5.157   4.494   2.593
  359   HD23  LEU  42          2HD2      LEU  42   3.708   3.890   3.400
  360    H    VAL  43           H        VAL  43   8.611   3.579   1.926
  361    HA   VAL  43           HA       VAL  43   7.745   2.821  -0.619
  362    HB   VAL  43           HB       VAL  43  10.269   4.368  -0.036
  363   HG11  VAL  43          1HG1      VAL  43  10.264   4.015  -2.314
  364   HG12  VAL  43          2HG1      VAL  43   9.380   5.538  -2.194
  365   HG13  VAL  43          3HG1      VAL  43   8.504   4.023  -2.419
  366   HG21  VAL  43          3HG2      VAL  43   7.539   5.008   0.610
  367   HG22  VAL  43          1HG2      VAL  43   8.176   6.149  -0.577
  368   HG23  VAL  43          2HG2      VAL  43   9.013   5.912   0.956
  369    H    GLY  44           H        GLY  44  10.777   2.105   1.076
  370    HA2  GLY  44           2HA      GLY  44  12.146   0.876  -1.024
  371    HA3  GLY  44           1HA      GLY  44  12.395   0.527   0.680
  372    H    ASP  45           H        ASP  45  10.406  -0.804   1.600
  373    HA   ASP  45           HA       ASP  45  10.551  -3.346   0.447
  374    HB2  ASP  45           2HB      ASP  45   8.940  -2.079   2.596
  375    HB3  ASP  45           1HB      ASP  45   8.330  -3.592   1.935
  376    H    LEU  46           H        LEU  46   7.901  -0.972   0.378
  377    HA   LEU  46           HA       LEU  46   6.088  -2.452  -1.124
  378    HB2  LEU  46           2HB      LEU  46   6.544   0.489  -0.778
  379    HB3  LEU  46           1HB      LEU  46   5.324  -0.090  -1.896
  380    HG   LEU  46           HG       LEU  46   5.413  -0.563   1.083
  381   HD11  LEU  46          1HD1      LEU  46   3.263   0.795  -0.509
  382   HD12  LEU  46          2HD1      LEU  46   4.650   1.678   0.129
  383   HD13  LEU  46          3HD1      LEU  46   3.552   0.846   1.231
  384   HD21  LEU  46          3HD2      LEU  46   3.651  -1.723  -1.056
  385   HD22  LEU  46          1HD2      LEU  46   3.134  -1.606   0.626
  386   HD23  LEU  46          2HD2      LEU  46   4.554  -2.564   0.204
  387    H    LYS  47           H        LYS  47   8.948  -0.742  -2.118
  388    HA   LYS  47           HA       LYS  47   8.290  -0.625  -4.897
  389    HB2  LYS  47           2HB      LYS  47  10.555   0.100  -3.193
  390    HB3  LYS  47           1HB      LYS  47  11.048  -0.517  -4.765
  391    HG2  LYS  47           2HG      LYS  47   8.979   1.260  -5.319
  392    HG3  LYS  47           1HG      LYS  47   9.934   2.045  -4.057
  393    HD2  LYS  47           2HD      LYS  47  11.976   1.481  -5.463
  394    HD3  LYS  47           1HD      LYS  47  10.845   1.082  -6.759
  395    HE2  LYS  47           2HE      LYS  47  11.240   3.273  -7.258
  396    HE3  LYS  47           1HE      LYS  47   9.871   3.463  -6.164
  397    HZ1  LYS  47           3HZ      LYS  47  11.225   4.198  -4.464
  398    HZ2  LYS  47           1HZ      LYS  47  11.957   4.902  -5.818
  399    HZ3  LYS  47           2HZ      LYS  47  12.626   3.515  -5.119
  400    H    LEU  48           H        LEU  48  10.472  -2.692  -2.986
  401    HA   LEU  48           HA       LEU  48  11.339  -4.343  -5.050
  402    HB2  LEU  48           2HB      LEU  48  10.871  -5.197  -2.197
  403    HB3  LEU  48           1HB      LEU  48  11.987  -5.913  -3.343
  404    HG   LEU  48           HG       LEU  48  12.429  -3.049  -2.813
  405   HD11  LEU  48          1HD1      LEU  48  13.768  -4.108  -0.692
  406   HD12  LEU  48          2HD1      LEU  48  12.246  -4.996  -0.634
  407   HD13  LEU  48          3HD1      LEU  48  12.239  -3.235  -0.590
  408   HD21  LEU  48          3HD2      LEU  48  13.863  -4.592  -4.200
  409   HD22  LEU  48          1HD2      LEU  48  14.335  -5.373  -2.691
  410   HD23  LEU  48          2HD2      LEU  48  14.708  -3.671  -2.956
  411    H    VAL  49           H        VAL  49   8.365  -4.417  -3.195
  412    HA   VAL  49           HA       VAL  49   7.595  -6.979  -4.342
  413    HB   VAL  49           HB       VAL  49   7.104  -6.091  -1.922
  414   HG11  VAL  49          1HG1      VAL  49   4.882  -5.153  -1.648
  415   HG12  VAL  49          2HG1      VAL  49   4.686  -5.074  -3.399
  416   HG13  VAL  49          3HG1      VAL  49   5.905  -4.080  -2.601
  417   HG21  VAL  49          3HG2      VAL  49   4.711  -7.410  -3.011
  418   HG22  VAL  49          1HG2      VAL  49   5.784  -7.903  -1.701
  419   HG23  VAL  49          2HG2      VAL  49   6.251  -8.190  -3.378
  420    H    ILE  50           H        ILE  50   6.509  -3.608  -4.416
  421    HA   ILE  50           HA       ILE  50   4.560  -4.211  -6.490
  422    HB   ILE  50           HB       ILE  50   5.267  -1.496  -5.377
  423   HG12  ILE  50          2HG1      ILE  50   3.125  -3.437  -4.474
  424   HG13  ILE  50          1HG1      ILE  50   4.562  -2.988  -3.562
  425   HG21  ILE  50          1HG2      ILE  50   4.041  -1.020  -7.240
  426   HG22  ILE  50          2HG2      ILE  50   2.731  -1.250  -6.082
  427   HG23  ILE  50          3HG2      ILE  50   3.164  -2.549  -7.192
  428   HD11  ILE  50          3HD1      ILE  50   2.414  -1.056  -4.383
  429   HD12  ILE  50          1HD1      ILE  50   3.775  -0.749  -3.304
  430   HD13  ILE  50          2HD1      ILE  50   2.494  -1.858  -2.815
  431    H    ASN  51           H        ASN  51   7.673  -4.179  -6.787
  432    HA   ASN  51           HA       ASN  51   8.394  -2.127  -8.539
  433    HB2  ASN  51           2HB      ASN  51  10.114  -3.824  -9.376
  434    HB3  ASN  51           1HB      ASN  51  10.151  -3.440  -7.658
  435   HD21  ASN  51          1HD2      ASN  51  11.396  -5.583  -7.981
  436   HD22  ASN  51          2HD2      ASN  51  10.473  -7.015  -7.693
  437    H    GLU  52           H        GLU  52   6.824  -5.218  -9.134
  438    HA   GLU  52           HA       GLU  52   6.974  -5.320 -11.898
  439    HB2  GLU  52           2HB      GLU  52   5.203  -6.471  -9.828
  440    HB3  GLU  52           1HB      GLU  52   4.556  -6.444 -11.463
  441    HG2  GLU  52           2HG      GLU  52   7.311  -7.464 -11.108
  442    HG3  GLU  52           1HG      GLU  52   5.986  -8.468 -10.522
  443    HA   PRO  53           HA       PRO  53   4.891  -1.517 -13.075
  444    HB2  PRO  53           2HB      PRO  53   4.475  -3.259 -15.475
  445    HB3  PRO  53           1HB      PRO  53   4.983  -1.567 -15.390
  446    HG2  PRO  53           2HG      PRO  53   6.757  -3.518 -15.823
  447    HG3  PRO  53           1HG      PRO  53   7.160  -2.107 -14.828
  448    HD2  PRO  53           2HD      PRO  53   6.642  -4.906 -14.005
  449    HD3  PRO  53           1HD      PRO  53   7.604  -3.650 -13.202
  450    H    SER  54           H        SER  54   3.542  -4.760 -13.348
  451    HA   SER  54           HA       SER  54   0.875  -3.976 -13.900
  452    HB2  SER  54           2HB      SER  54   0.453  -6.363 -12.838
  453    HB3  SER  54           1HB      SER  54   1.217  -6.200 -14.419
  454    HG   SER  54           HG       SER  54   2.588  -6.483 -11.949
  455    H    ARG  55           H        ARG  55   2.722  -4.338 -10.962
  456    HA   ARG  55           HA       ARG  55   0.378  -4.071  -9.268
  457    HB2  ARG  55           2HB      ARG  55   3.284  -4.119  -8.455
  458    HB3  ARG  55           1HB      ARG  55   1.891  -4.373  -7.416
  459    HG2  ARG  55           2HG      ARG  55   1.377  -6.444  -8.570
  460    HG3  ARG  55           1HG      ARG  55   2.731  -6.180  -9.672
  461    HD2  ARG  55           2HD      ARG  55   4.219  -6.952  -8.191
  462    HD3  ARG  55           1HD      ARG  55   3.509  -6.024  -6.871
  463    HE   ARG  55           HE       ARG  55   2.517  -7.946  -6.179
  464   HH11  ARG  55          1HH1      ARG  55   3.095  -8.214  -9.608
  465   HH12  ARG  55          2HH1      ARG  55   2.483  -9.830  -9.713
  466   HH21  ARG  55          1HH2      ARG  55   1.711 -10.074  -6.314
  467   HH22  ARG  55          2HH2      ARG  55   1.698 -10.887  -7.842
  468    H    LEU  56           H        LEU  56   2.164  -1.935 -11.018
  469    HA   LEU  56           HA       LEU  56   2.843   0.113  -9.273
  470    HB2  LEU  56           2HB      LEU  56   2.089   0.017 -12.158
  471    HB3  LEU  56           1HB      LEU  56   2.229   1.579 -11.376
  472    HG   LEU  56           HG       LEU  56   4.434  -0.479 -11.415
  473   HD11  LEU  56          1HD1      LEU  56   5.317   0.444 -13.303
  474   HD12  LEU  56          2HD1      LEU  56   4.548   2.010 -13.035
  475   HD13  LEU  56          3HD1      LEU  56   3.600   0.654 -13.650
  476   HD21  LEU  56          3HD2      LEU  56   4.647   1.036  -9.571
  477   HD22  LEU  56          1HD2      LEU  56   4.334   2.425 -10.613
  478   HD23  LEU  56          2HD2      LEU  56   5.819   1.496 -10.806
  479    HA   PRO  57           HA       PRO  57  -1.712   1.882 -10.141
  480    HB2  PRO  57           2HB      PRO  57  -3.023  -0.794 -10.130
  481    HB3  PRO  57           1HB      PRO  57  -3.451   0.665 -11.030
  482    HG2  PRO  57           2HG      PRO  57  -2.253  -1.381 -12.243
  483    HG3  PRO  57           1HG      PRO  57  -1.842   0.294 -12.656
  484    HD2  PRO  57           2HD      PRO  57  -0.319  -1.689 -11.031
  485    HD3  PRO  57           1HD      PRO  57   0.277  -0.427 -12.126
  486    H    LEU  58           H        LEU  58  -0.726  -0.883  -8.251
  487    HA   LEU  58           HA       LEU  58  -2.614  -0.785  -6.198
  488    HB2  LEU  58           2HB      LEU  58  -0.541  -2.391  -6.749
  489    HB3  LEU  58           1HB      LEU  58   0.190  -1.425  -5.483
  490    HG   LEU  58           HG       LEU  58  -2.383  -2.975  -5.187
  491   HD11  LEU  58          1HD1      LEU  58   0.016  -4.126  -5.424
  492   HD12  LEU  58          2HD1      LEU  58  -1.240  -4.735  -4.345
  493   HD13  LEU  58          3HD1      LEU  58   0.060  -3.727  -3.707
  494   HD21  LEU  58          3HD2      LEU  58  -2.419  -1.148  -3.685
  495   HD22  LEU  58          1HD2      LEU  58  -0.716  -1.357  -3.275
  496   HD23  LEU  58          2HD2      LEU  58  -1.903  -2.548  -2.743
  497    H    PHE  59           H        PHE  59   0.406   1.003  -6.625
  498    HA   PHE  59           HA       PHE  59   0.703   2.169  -4.152
  499    HB2  PHE  59           2HB      PHE  59   1.261   3.224  -6.917
  500    HB3  PHE  59           1HB      PHE  59   1.651   4.158  -5.477
  501    HD1  PHE  59           2HD      PHE  59   2.808   2.438  -3.610
  502    HD2  PHE  59           1HD      PHE  59   3.099   2.241  -7.852
  503    HE1  PHE  59           2HE      PHE  59   4.941   1.229  -3.404
  504    HE2  PHE  59           1HE      PHE  59   5.231   1.031  -7.652
  505    HZ   PHE  59           HZ       PHE  59   6.155   0.523  -5.427
  506    H    ASP  60           H        ASP  60  -1.544   3.045  -6.713
  507    HA   ASP  60           HA       ASP  60  -2.390   5.525  -5.822
  508    HB2  ASP  60           2HB      ASP  60  -3.258   3.613  -7.725
  509    HB3  ASP  60           1HB      ASP  60  -4.666   4.055  -6.763
  510    H    ALA  61           H        ALA  61  -3.567   2.325  -4.887
  511    HA   ALA  61           HA       ALA  61  -5.513   3.304  -3.043
  512    HB1  ALA  61           1HB      ALA  61  -5.450   1.028  -4.216
  513    HB2  ALA  61           2HB      ALA  61  -5.950   1.066  -2.525
  514    HB3  ALA  61           3HB      ALA  61  -4.317   0.551  -2.953
  515    H    ILE  62           H        ILE  62  -2.113   2.620  -2.843
  516    HA   ILE  62           HA       ILE  62  -1.942   2.269  -0.037
  517    HB   ILE  62           HB       ILE  62   0.225   3.329  -1.850
  518   HG12  ILE  62          2HG1      ILE  62  -0.623   1.261  -2.789
  519   HG13  ILE  62          1HG1      ILE  62   0.938   0.955  -2.039
  520   HG21  ILE  62          1HG2      ILE  62   1.682   3.020  -0.160
  521   HG22  ILE  62          2HG2      ILE  62   0.855   1.579   0.431
  522   HG23  ILE  62          3HG2      ILE  62   0.241   3.181   0.846
  523   HD11  ILE  62          3HD1      ILE  62  -0.081  -0.777  -1.084
  524   HD12  ILE  62          1HD1      ILE  62  -1.689  -0.133  -1.415
  525   HD13  ILE  62          2HD1      ILE  62  -0.794   0.418  -0.001
  526    H    ARG  63           H        ARG  63  -1.852   5.106  -2.124
  527    HA   ARG  63           HA       ARG  63  -0.889   6.982  -0.299
  528    HB2  ARG  63           2HB      ARG  63  -2.437   7.053  -2.803
  529    HB3  ARG  63           1HB      ARG  63  -2.665   8.452  -1.760
  530    HG2  ARG  63           2HG      ARG  63  -0.005   8.323  -1.689
  531    HG3  ARG  63           1HG      ARG  63  -0.275   7.565  -3.258
  532    HD2  ARG  63           2HD      ARG  63  -1.611  10.148  -2.539
  533    HD3  ARG  63           1HD      ARG  63   0.040  10.121  -3.153
  534    HE   ARG  63           HE       ARG  63  -1.838   8.661  -4.773
  535   HH11  ARG  63          1HH1      ARG  63  -0.400  11.779  -4.153
  536   HH12  ARG  63          2HH1      ARG  63  -0.714  12.381  -5.746
  537   HH21  ARG  63          1HH2      ARG  63  -2.252   9.450  -6.870
  538   HH22  ARG  63          2HH2      ARG  63  -1.765  11.059  -7.289
  539    HA   PRO  64           HA       PRO  64  -5.745   7.928   0.646
  540    HB2  PRO  64           2HB      PRO  64  -6.323   4.989   0.438
  541    HB3  PRO  64           1HB      PRO  64  -7.417   6.362   0.217
  542    HG2  PRO  64           2HG      PRO  64  -6.389   5.097  -1.885
  543    HG3  PRO  64           1HG      PRO  64  -6.582   6.859  -1.886
  544    HD2  PRO  64           2HD      PRO  64  -4.119   5.234  -1.676
  545    HD3  PRO  64           1HD      PRO  64  -4.335   6.885  -2.281
  546    H    LEU  65           H        LEU  65  -4.439   4.726   1.546
  547    HA   LEU  65           HA       LEU  65  -5.223   4.905   4.264
  548    HB2  LEU  65           2HB      LEU  65  -2.961   3.233   3.180
  549    HB3  LEU  65           1HB      LEU  65  -3.926   2.928   4.612
  550    HG   LEU  65           HG       LEU  65  -5.396   3.033   2.043
  551   HD11  LEU  65          1HD1      LEU  65  -3.915   0.525   2.724
  552   HD12  LEU  65          2HD1      LEU  65  -3.179   1.753   1.697
  553   HD13  LEU  65          3HD1      LEU  65  -4.692   0.989   1.211
  554   HD21  LEU  65          3HD2      LEU  65  -6.886   1.726   3.137
  555   HD22  LEU  65          1HD2      LEU  65  -6.098   2.426   4.552
  556   HD23  LEU  65          2HD2      LEU  65  -5.634   0.821   3.988
  557    H    ILE  66           H        ILE  66  -2.335   5.698   2.481
  558    HA   ILE  66           HA       ILE  66  -0.651   6.254   4.679
  559    HB   ILE  66           HB       ILE  66  -0.608   6.761   1.750
  560   HG12  ILE  66          2HG1      ILE  66   1.666   5.848   3.480
  561   HG13  ILE  66          1HG1      ILE  66   0.340   4.754   3.101
  562   HG21  ILE  66          1HG2      ILE  66   0.028   8.938   2.512
  563   HG22  ILE  66          2HG2      ILE  66   1.465   8.094   1.943
  564   HG23  ILE  66          3HG2      ILE  66   1.161   8.247   3.671
  565   HD11  ILE  66          3HD1      ILE  66   0.784   5.127   0.699
  566   HD12  ILE  66          1HD1      ILE  66   2.133   4.388   1.561
  567   HD13  ILE  66          2HD1      ILE  66   2.183   6.102   1.147
  568    HA   PRO  67           HA       PRO  67  -2.215  10.052   6.345
  569    HB2  PRO  67           2HB      PRO  67   0.662  10.857   6.267
  570    HB3  PRO  67           1HB      PRO  67  -0.504  10.976   7.590
  571    HG2  PRO  67           2HG      PRO  67   1.332   9.052   7.580
  572    HG3  PRO  67           1HG      PRO  67  -0.320   8.728   8.132
  573    HD2  PRO  67           2HD      PRO  67   1.015   7.943   5.593
  574    HD3  PRO  67           1HD      PRO  67  -0.244   7.100   6.514
  575    H    LEU  68           H        LEU  68  -2.529  12.232   5.794
  576    HA   LEU  68           HA       LEU  68  -2.698  12.830   3.093
  577    HB2  LEU  68           2HB      LEU  68  -2.486  15.319   4.398
  578    HB3  LEU  68           1HB      LEU  68  -3.936  14.488   3.884
  579    HG   LEU  68           HG       LEU  68  -3.945  13.322   6.121
  580   HD11  LEU  68          1HD1      LEU  68  -1.834  15.389   6.723
  581   HD12  LEU  68          2HD1      LEU  68  -1.622  13.639   6.738
  582   HD13  LEU  68          3HD1      LEU  68  -2.671  14.411   7.926
  583   HD21  LEU  68          3HD2      LEU  68  -4.535  15.591   7.316
  584   HD22  LEU  68          1HD2      LEU  68  -5.540  14.952   6.015
  585   HD23  LEU  68          2HD2      LEU  68  -4.371  16.231   5.681
  586    H    LYS  69           H        LYS  69  -0.195  13.831   5.408
  587    HA   LYS  69           HA       LYS  69   1.288  15.258   3.393
  588    HB2  LYS  69           2HB      LYS  69   2.379  14.405   6.064
  589    HB3  LYS  69           1HB      LYS  69   2.827  15.801   5.096
  590    HG2  LYS  69           2HG      LYS  69   0.951  17.003   5.729
  591    HG3  LYS  69           1HG      LYS  69   0.067  15.557   6.218
  592    HD2  LYS  69           2HD      LYS  69   1.109  15.436   8.247
  593    HD3  LYS  69           1HD      LYS  69   2.587  16.196   7.655
  594    HE2  LYS  69           2HE      LYS  69   1.761  18.325   7.925
  595    HE3  LYS  69           1HE      LYS  69   0.082  17.807   7.781
  596    HZ1  LYS  69           3HZ      LYS  69   0.462  16.650   9.988
  597    HZ2  LYS  69           1HZ      LYS  69   0.374  18.340  10.023
  598    HZ3  LYS  69           2HZ      LYS  69   1.876  17.567  10.120
  599    H    HIS  70           H        HIS  70   1.382  12.111   4.912
  600    HA   HIS  70           HA       HIS  70   3.926  11.330   3.955
  601    HB2  HIS  70           2HB      HIS  70   1.547   9.729   4.895
  602    HB3  HIS  70           1HB      HIS  70   3.095   9.004   4.472
  603    HD1  HIS  70           1HD      HIS  70   4.127   8.357   6.633
  604    HD2  HIS  70           2HD      HIS  70   2.445  12.156   6.786
  605    HE1  HIS  70           1HE      HIS  70   4.731   9.270   8.896
  606    HE2  HIS  70           2HE      HIS  70   3.790  11.607   8.926
  607    H    GLN  71           H        GLN  71   0.697  11.177   2.571
  608    HA   GLN  71           HA       GLN  71   1.345   9.399   0.457
  609    HB2  GLN  71           2HB      GLN  71  -0.727  10.230  -0.610
  610    HB3  GLN  71           1HB      GLN  71  -0.974   9.758   1.064
  611    HG2  GLN  71           2HG      GLN  71  -1.277  11.927   1.773
  612    HG3  GLN  71           1HG      GLN  71  -0.405  12.609   0.403
  613   HE21  GLN  71          1HE2      GLN  71  -2.871  13.562   1.222
  614   HE22  GLN  71          2HE2      GLN  71  -4.043  13.216   0.002
  615    H    VAL  72           H        VAL  72   1.513  12.881   0.849
  616    HA   VAL  72           HA       VAL  72   2.052  13.535  -1.848
  617    HB   VAL  72           HB       VAL  72   2.973  15.044   0.603
  618   HG11  VAL  72          1HG1      VAL  72   2.946  15.603  -2.294
  619   HG12  VAL  72          2HG1      VAL  72   4.020  16.201  -1.030
  620   HG13  VAL  72          3HG1      VAL  72   2.423  16.919  -1.242
  621   HG21  VAL  72          3HG2      VAL  72   0.913  15.980   0.855
  622   HG22  VAL  72          1HG2      VAL  72   0.416  14.413   0.216
  623   HG23  VAL  72          2HG2      VAL  72   0.507  15.813  -0.853
  624    H    GLU  73           H        GLU  73   4.216  13.095   0.952
  625    HA   GLU  73           HA       GLU  73   6.602  13.365  -0.567
  626    HB2  GLU  73           2HB      GLU  73   6.158  13.499   2.038
  627    HB3  GLU  73           1HB      GLU  73   6.544  11.785   1.972
  628    HG2  GLU  73           2HG      GLU  73   8.657  12.428   2.218
  629    HG3  GLU  73           1HG      GLU  73   8.577  12.892   0.519
  630    H    TYR  74           H        TYR  74   4.629  10.615   0.419
  631    HA   TYR  74           HA       TYR  74   6.336   8.535  -0.278
  632    HB2  TYR  74           2HB      TYR  74   4.176   8.195   0.862
  633    HB3  TYR  74           1HB      TYR  74   3.327   8.646  -0.612
  634    HD1  TYR  74           1HD      TYR  74   5.982   6.236   0.464
  635    HD2  TYR  74           2HD      TYR  74   2.512   6.920  -1.900
  636    HE1  TYR  74           1HE      TYR  74   6.024   3.889  -0.266
  637    HE2  TYR  74           2HE      TYR  74   2.543   4.575  -2.637
  638    HH   TYR  74           HH       TYR  74   3.456   2.370  -1.722
  639    H    ASP  75           H        ASP  75   4.178  10.490  -2.246
  640    HA   ASP  75           HA       ASP  75   4.668   9.071  -4.676
  641    HB2  ASP  75           2HB      ASP  75   2.620  10.415  -4.308
  642    HB3  ASP  75           1HB      ASP  75   3.603  11.876  -4.271
  643    H    GLN  76           H        GLN  76   6.081  11.854  -3.052
  644    HA   GLN  76           HA       GLN  76   7.647  12.776  -5.220
  645    HB2  GLN  76           2HB      GLN  76   7.636  13.182  -2.268
  646    HB3  GLN  76           1HB      GLN  76   9.091  13.632  -3.148
  647    HG2  GLN  76           2HG      GLN  76   6.722  14.628  -4.460
  648    HG3  GLN  76           1HG      GLN  76   6.810  15.166  -2.783
  649   HE21  GLN  76          1HE2      GLN  76   7.009  17.268  -3.916
  650   HE22  GLN  76          2HE2      GLN  76   8.592  17.800  -4.359
  651    H    LEU  77           H        LEU  77   8.111  10.287  -2.811
  652    HA   LEU  77           HA       LEU  77  10.897   9.892  -3.421
  653    HB2  LEU  77           2HB      LEU  77   8.947   8.214  -1.841
  654    HB3  LEU  77           1HB      LEU  77  10.667   7.895  -1.962
  655    HG   LEU  77           HG       LEU  77   9.530  10.441  -0.814
  656   HD11  LEU  77          1HD1      LEU  77   8.808   8.975   0.780
  657   HD12  LEU  77          2HD1      LEU  77  10.459   9.238   1.341
  658   HD13  LEU  77          3HD1      LEU  77  10.062   7.789   0.419
  659   HD21  LEU  77          3HD2      LEU  77  11.716  10.886  -0.058
  660   HD22  LEU  77          1HD2      LEU  77  11.890  10.385  -1.739
  661   HD23  LEU  77          2HD2      LEU  77  12.266   9.256  -0.438
  662    H    THR  78           H        THR  78   7.831   8.468  -4.352
  663    HA   THR  78           HA       THR  78   9.110   6.337  -5.844
  664    HB   THR  78           HB       THR  78   6.804   5.683  -6.437
  665    HG1  THR  78           1HG      THR  78   5.413   7.243  -6.424
  666   HG21  THR  78          3HG2      THR  78   7.926   5.504  -3.932
  667   HG22  THR  78          1HG2      THR  78   6.507   4.631  -4.509
  668   HG23  THR  78          2HG2      THR  78   6.311   6.142  -3.623
  669    HA   PRO  79           HA       PRO  79   9.346   9.203  -9.346
  670    HB2  PRO  79           2HB      PRO  79  10.914   7.625 -10.892
  671    HB3  PRO  79           1HB      PRO  79  11.555   8.599  -9.563
  672    HG2  PRO  79           2HG      PRO  79  10.873   5.682  -9.616
  673    HG3  PRO  79           1HG      PRO  79  12.295   6.486  -8.923
  674    HD2  PRO  79           2HD      PRO  79  10.196   5.688  -7.413
  675    HD3  PRO  79           1HD      PRO  79  11.165   7.123  -7.020
  676    H    ARG  80           H        ARG  80   9.003   8.869 -11.764
  677    HA   ARG  80           HA       ARG  80   7.129   6.676 -12.311
  678    HB2  ARG  80           2HB      ARG  80   6.613   9.601 -12.441
  679    HB3  ARG  80           1HB      ARG  80   5.948   8.614 -13.736
  680    HG2  ARG  80           2HG      ARG  80   4.935   7.164 -11.921
  681    HG3  ARG  80           1HG      ARG  80   5.372   8.451 -10.796
  682    HD2  ARG  80           2HD      ARG  80   3.891   9.195 -13.261
  683    HD3  ARG  80           1HD      ARG  80   3.004   8.363 -11.984
  684    HE   ARG  80           HE       ARG  80   4.268  10.343 -10.653
  685   HH11  ARG  80          1HH1      ARG  80   2.248  10.307 -13.499
  686   HH12  ARG  80          2HH1      ARG  80   1.621  11.898 -13.228
  687   HH21  ARG  80          1HH2      ARG  80   3.445  12.436 -10.295
  688   HH22  ARG  80          2HH2      ARG  80   2.301  13.107 -11.409
  Start of MODEL    6
    1    H1   MET   1           1HT      MET   1 -11.877   9.910   8.352
    2    H2   MET   1           2HT      MET   1 -12.281  11.047   7.133
    3    H3   MET   1           3HT      MET   1 -11.610   9.527   6.702
    4    HA   MET   1           HA       MET   1 -13.591   8.522   7.823
    5    HB2  MET   1           2HB      MET   1 -14.060  10.927   8.772
    6    HB3  MET   1           1HB      MET   1 -14.870  11.166   7.230
    7    HG2  MET   1           2HG      MET   1 -16.575   9.771   7.746
    8    HG3  MET   1           1HG      MET   1 -15.567   8.726   8.743
    9    HE1  MET   1           2HE      MET   1 -17.695   8.573  10.371
   10    HE2  MET   1           3HE      MET   1 -18.610   9.753   9.432
   11    HE3  MET   1           1HE      MET   1 -18.418   9.969  11.173
   12    H    ASP   2           H        ASP   2 -12.846   7.574   5.770
   13    HA   ASP   2           HA       ASP   2 -14.795   8.046   3.691
   14    HB2  ASP   2           2HB      ASP   2 -12.748   9.601   3.313
   15    HB3  ASP   2           1HB      ASP   2 -11.915   8.126   2.835
   16    H    ARG   3           H        ARG   3 -15.520   5.977   3.858
   17    HA   ARG   3           HA       ARG   3 -13.588   3.789   3.646
   18    HB2  ARG   3           2HB      ARG   3 -16.532   3.804   4.324
   19    HB3  ARG   3           1HB      ARG   3 -15.564   2.345   4.182
   20    HG2  ARG   3           2HG      ARG   3 -14.101   3.197   5.992
   21    HG3  ARG   3           1HG      ARG   3 -15.201   4.565   6.181
   22    HD2  ARG   3           2HD      ARG   3 -16.723   3.340   7.282
   23    HD3  ARG   3           1HD      ARG   3 -16.531   1.960   6.200
   24    HE   ARG   3           HE       ARG   3 -15.228   2.381   8.726
   25   HH11  ARG   3          1HH1      ARG   3 -15.031   0.754   5.646
   26   HH12  ARG   3          2HH1      ARG   3 -13.999  -0.506   6.236
   27   HH21  ARG   3          1HH2      ARG   3 -13.871   0.725   9.505
   28   HH22  ARG   3          2HH2      ARG   3 -13.341  -0.523   8.426
   29    H    LYS   4           H        LYS   4 -14.013   5.382   1.349
   30    HA   LYS   4           HA       LYS   4 -15.710   3.761  -0.394
   31    HB2  LYS   4           2HB      LYS   4 -15.674   6.339  -0.373
   32    HB3  LYS   4           1HB      LYS   4 -14.148   6.191  -1.234
   33    HG2  LYS   4           2HG      LYS   4 -15.950   4.513  -2.574
   34    HG3  LYS   4           1HG      LYS   4 -16.829   6.005  -2.233
   35    HD2  LYS   4           2HD      LYS   4 -14.082   5.960  -3.470
   36    HD3  LYS   4           1HD      LYS   4 -15.568   5.945  -4.422
   37    HE2  LYS   4           2HE      LYS   4 -16.065   8.018  -2.763
   38    HE3  LYS   4           1HE      LYS   4 -14.309   8.130  -2.900
   39    HZ1  LYS   4           3HZ      LYS   4 -14.427   8.721  -5.058
   40    HZ2  LYS   4           1HZ      LYS   4 -15.976   9.249  -4.628
   41    HZ3  LYS   4           2HZ      LYS   4 -15.772   7.749  -5.385
   42    H    VAL   5           H        VAL   5 -12.384   5.047  -0.381
   43    HA   VAL   5           HA       VAL   5 -11.458   3.544  -2.559
   44    HB   VAL   5           HB       VAL   5  -9.735   4.400  -0.239
   45   HG11  VAL   5          1HG1      VAL   5  -8.148   3.524  -1.533
   46   HG12  VAL   5          2HG1      VAL   5  -8.432   4.868  -2.638
   47   HG13  VAL   5          3HG1      VAL   5  -9.258   3.331  -2.889
   48   HG21  VAL   5          3HG2      VAL   5  -9.432   6.512  -1.654
   49   HG22  VAL   5          1HG2      VAL   5 -10.917   6.364  -0.712
   50   HG23  VAL   5          2HG2      VAL   5 -10.935   6.041  -2.446
   51    H    ALA   6           H        ALA   6 -11.961   2.687   0.766
   52    HA   ALA   6           HA       ALA   6 -10.230   0.518   1.027
   53    HB1  ALA   6           1HB      ALA   6 -12.922   1.038   2.267
   54    HB2  ALA   6           2HB      ALA   6 -11.332   1.358   2.960
   55    HB3  ALA   6           3HB      ALA   6 -11.877  -0.303   2.732
   56    H    ARG   7           H        ARG   7 -13.497   0.678  -0.303
   57    HA   ARG   7           HA       ARG   7 -13.843  -2.089  -0.700
   58    HB2  ARG   7           2HB      ARG   7 -15.516  -0.038  -0.860
   59    HB3  ARG   7           1HB      ARG   7 -15.104  -0.137  -2.567
   60    HG2  ARG   7           2HG      ARG   7 -16.118  -2.173  -2.839
   61    HG3  ARG   7           1HG      ARG   7 -15.930  -2.615  -1.141
   62    HD2  ARG   7           2HD      ARG   7 -17.682  -1.127  -0.488
   63    HD3  ARG   7           1HD      ARG   7 -17.764  -0.428  -2.105
   64    HE   ARG   7           HE       ARG   7 -19.099  -2.169  -2.741
   65   HH11  ARG   7          1HH1      ARG   7 -17.460  -3.047   0.213
   66   HH12  ARG   7          2HH1      ARG   7 -18.353  -4.518   0.417
   67   HH21  ARG   7          1HH2      ARG   7 -20.275  -4.101  -2.473
   68   HH22  ARG   7          2HH2      ARG   7 -19.948  -5.116  -1.108
   69    H    GLU   8           H        GLU   8 -12.944   0.460  -2.997
   70    HA   GLU   8           HA       GLU   8 -12.404  -1.278  -5.151
   71    HB2  GLU   8           2HB      GLU   8 -12.737   1.319  -5.080
   72    HB3  GLU   8           1HB      GLU   8 -10.993   1.349  -4.846
   73    HG2  GLU   8           2HG      GLU   8 -11.045  -0.251  -6.946
   74    HG3  GLU   8           1HG      GLU   8 -12.580   0.571  -7.227
   75    H    PHE   9           H        PHE   9 -10.498  -0.189  -2.446
   76    HA   PHE   9           HA       PHE   9  -7.933  -0.793  -3.389
   77    HB2  PHE   9           2HB      PHE   9  -8.254   0.500  -1.366
   78    HB3  PHE   9           1HB      PHE   9  -9.049  -0.857  -0.580
   79    HD1  PHE   9           2HD      PHE   9  -5.985  -1.040  -2.644
   80    HD2  PHE   9           1HD      PHE   9  -7.637  -1.128   1.278
   81    HE1  PHE   9           2HE      PHE   9  -3.816  -1.784  -1.751
   82    HE2  PHE   9           1HE      PHE   9  -5.471  -1.872   2.177
   83    HZ   PHE   9           HZ       PHE   9  -3.558  -2.202   0.662
   84    H    ARG  10           H        ARG  10 -10.121  -2.788  -1.399
   85    HA   ARG  10           HA       ARG  10  -8.481  -5.077  -1.398
   86    HB2  ARG  10           2HB      ARG  10 -11.359  -4.541  -0.805
   87    HB3  ARG  10           1HB      ARG  10 -10.827  -6.209  -0.969
   88    HG2  ARG  10           2HG      ARG  10  -9.735  -6.192   0.990
   89    HG3  ARG  10           1HG      ARG  10  -9.150  -4.541   0.771
   90    HD2  ARG  10           2HD      ARG  10 -10.601  -4.238   2.517
   91    HD3  ARG  10           1HD      ARG  10 -11.676  -3.936   1.153
   92    HE   ARG  10           HE       ARG  10 -12.840  -5.836   1.688
   93   HH11  ARG  10          1HH1      ARG  10  -9.803  -5.843   3.408
   94   HH12  ARG  10          2HH1      ARG  10 -10.219  -7.208   4.387
   95   HH21  ARG  10          1HH2      ARG  10 -13.387  -7.633   2.975
   96   HH22  ARG  10          2HH2      ARG  10 -12.252  -8.225   4.142
   97    H    HIS  11           H        HIS  11 -11.087  -4.039  -3.544
   98    HA   HIS  11           HA       HIS  11 -11.269  -6.425  -5.038
   99    HB2  HIS  11           2HB      HIS  11 -12.251  -3.658  -5.285
  100    HB3  HIS  11           1HB      HIS  11 -12.059  -4.512  -6.813
  101    HD1  HIS  11           1HD      HIS  11 -12.986  -7.314  -5.986
  102    HD2  HIS  11           2HD      HIS  11 -14.937  -3.811  -4.899
  103    HE1  HIS  11           1HE      HIS  11 -15.355  -7.992  -5.484
  104    HE2  HIS  11           2HE      HIS  11 -16.538  -5.841  -4.912
  105    H    LYS  12           H        LYS  12  -9.493  -3.402  -5.675
  106    HA   LYS  12           HA       LYS  12  -8.368  -4.279  -8.113
  107    HB2  LYS  12           2HB      LYS  12  -6.980  -2.334  -8.014
  108    HB3  LYS  12           1HB      LYS  12  -8.562  -1.894  -7.389
  109    HG2  LYS  12           2HG      LYS  12  -7.694  -2.112  -5.098
  110    HG3  LYS  12           1HG      LYS  12  -6.100  -2.482  -5.758
  111    HD2  LYS  12           2HD      LYS  12  -7.521   0.018  -6.578
  112    HD3  LYS  12           1HD      LYS  12  -6.663  -0.047  -5.039
  113    HE2  LYS  12           2HE      LYS  12  -4.971   0.698  -6.371
  114    HE3  LYS  12           1HE      LYS  12  -4.745  -1.039  -6.566
  115    HZ1  LYS  12           3HZ      LYS  12  -6.494   0.431  -8.423
  116    HZ2  LYS  12           1HZ      LYS  12  -5.638  -1.007  -8.674
  117    HZ3  LYS  12           2HZ      LYS  12  -4.817   0.470  -8.640
  118    H    VAL  13           H        VAL  13  -7.042  -4.189  -4.807
  119    HA   VAL  13           HA       VAL  13  -4.483  -5.094  -5.331
  120    HB   VAL  13           HB       VAL  13  -6.209  -5.717  -2.929
  121   HG11  VAL  13          1HG1      VAL  13  -3.215  -5.941  -3.243
  122   HG12  VAL  13          2HG1      VAL  13  -4.344  -7.287  -3.082
  123   HG13  VAL  13          3HG1      VAL  13  -4.116  -6.163  -1.743
  124   HG21  VAL  13          3HG2      VAL  13  -5.632  -3.715  -2.068
  125   HG22  VAL  13          1HG2      VAL  13  -5.391  -3.282  -3.760
  126   HG23  VAL  13          2HG2      VAL  13  -4.014  -3.761  -2.769
  127    H    ASP  14           H        ASP  14  -7.369  -7.065  -4.622
  128    HA   ASP  14           HA       ASP  14  -6.051  -9.554  -4.907
  129    HB2  ASP  14           2HB      ASP  14  -8.868  -8.634  -4.704
  130    HB3  ASP  14           1HB      ASP  14  -8.603 -10.224  -5.413
  131    H    PHE  15           H        PHE  15  -7.617  -7.391  -7.162
  132    HA   PHE  15           HA       PHE  15  -7.834  -9.216  -9.322
  133    HB2  PHE  15           2HB      PHE  15  -9.101  -7.063  -9.102
  134    HB3  PHE  15           1HB      PHE  15  -7.610  -6.207  -9.482
  135    HD1  PHE  15           1HD      PHE  15  -9.163  -9.268 -10.936
  136    HD2  PHE  15           2HD      PHE  15  -7.821  -5.281 -11.574
  137    HE1  PHE  15           1HE      PHE  15  -9.654  -9.492 -13.337
  138    HE2  PHE  15           2HE      PHE  15  -8.310  -5.496 -13.977
  139    HZ   PHE  15           HZ       PHE  15  -9.228  -7.605 -14.860
  140    H    LEU  16           H        LEU  16  -5.453  -6.660  -8.606
  141    HA   LEU  16           HA       LEU  16  -3.792  -7.434 -10.820
  142    HB2  LEU  16           2HB      LEU  16  -2.268  -5.707 -10.027
  143    HB3  LEU  16           1HB      LEU  16  -3.911  -5.109 -10.162
  144    HG   LEU  16           HG       LEU  16  -3.618  -6.013  -7.505
  145   HD11  LEU  16          1HD1      LEU  16  -1.405  -4.096  -8.145
  146   HD12  LEU  16          2HD1      LEU  16  -1.137  -5.839  -8.108
  147   HD13  LEU  16          3HD1      LEU  16  -1.694  -5.001  -6.659
  148   HD21  LEU  16          3HD2      LEU  16  -4.765  -3.945  -8.776
  149   HD22  LEU  16          1HD2      LEU  16  -3.358  -3.131  -8.090
  150   HD23  LEU  16          2HD2      LEU  16  -4.487  -3.979  -7.034
  151    H    ILE  17           H        ILE  17  -3.906  -8.087  -7.390
  152    HA   ILE  17           HA       ILE  17  -1.346  -9.507  -7.564
  153    HB   ILE  17           HB       ILE  17  -2.909  -8.926  -5.053
  154   HG12  ILE  17          2HG1      ILE  17  -0.671  -7.345  -6.338
  155   HG13  ILE  17          1HG1      ILE  17  -2.333  -6.810  -6.106
  156   HG21  ILE  17          1HG2      ILE  17  -1.256  -9.925  -3.922
  157   HG22  ILE  17          2HG2      ILE  17  -0.001  -9.220  -4.942
  158   HG23  ILE  17          3HG2      ILE  17  -0.853 -10.672  -5.469
  159   HD11  ILE  17          3HD1      ILE  17  -1.322  -5.766  -4.358
  160   HD12  ILE  17          1HD1      ILE  17  -0.120  -7.039  -4.146
  161   HD13  ILE  17          2HD1      ILE  17  -1.772  -7.283  -3.580
  162    H    GLU  18           H        GLU  18  -4.247 -10.092  -5.610
  163    HA   GLU  18           HA       GLU  18  -5.588 -11.922  -5.379
  164    HB2  GLU  18           2HB      GLU  18  -5.107 -11.984  -8.003
  165    HB3  GLU  18           1HB      GLU  18  -4.259 -13.457  -7.550
  166    HG2  GLU  18           2HG      GLU  18  -6.444 -14.057  -6.314
  167    HG3  GLU  18           1HG      GLU  18  -7.168 -12.811  -7.331
  168    H    ASN  19           H        ASN  19  -2.364 -11.821  -4.867
  169    HA   ASN  19           HA       ASN  19  -2.113 -14.607  -4.029
  170    HB2  ASN  19           2HB      ASN  19  -0.246 -12.515  -4.863
  171    HB3  ASN  19           1HB      ASN  19   0.283 -13.372  -3.419
  172   HD21  ASN  19          1HD2      ASN  19   0.856 -15.508  -3.553
  173   HD22  ASN  19          2HD2      ASN  19   1.063 -16.334  -5.056
  174    H    ASP  20           H        ASP  20  -2.516 -15.155  -2.000
  175    HA   ASP  20           HA       ASP  20  -3.175 -13.289   0.007
  176    HB2  ASP  20           2HB      ASP  20  -2.820 -16.235  -0.137
  177    HB3  ASP  20           1HB      ASP  20  -2.734 -15.503   1.462
  178    H    ALA  21           H        ALA  21  -0.199 -14.938  -0.818
  179    HA   ALA  21           HA       ALA  21   1.219 -14.400   1.561
  180    HB1  ALA  21           1HB      ALA  21   2.450 -14.679  -1.170
  181    HB2  ALA  21           2HB      ALA  21   1.847 -16.052  -0.241
  182    HB3  ALA  21           3HB      ALA  21   3.167 -15.071   0.394
  183    H    GLU  22           H        GLU  22   0.975 -12.652  -1.501
  184    HA   GLU  22           HA       GLU  22   2.796 -10.598  -0.837
  185    HB2  GLU  22           2HB      GLU  22   0.758 -11.060  -2.935
  186    HB3  GLU  22           1HB      GLU  22   1.185  -9.381  -2.632
  187    HG2  GLU  22           2HG      GLU  22   3.162  -9.586  -3.633
  188    HG3  GLU  22           1HG      GLU  22   3.505 -11.125  -2.845
  189    H    LYS  23           H        LYS  23  -0.652 -11.005  -0.326
  190    HA   LYS  23           HA       LYS  23  -1.202  -8.350   0.490
  191    HB2  LYS  23           2HB      LYS  23  -2.627 -10.940   1.130
  192    HB3  LYS  23           1HB      LYS  23  -3.256  -9.341   1.502
  193    HG2  LYS  23           2HG      LYS  23  -3.518  -8.803  -0.777
  194    HG3  LYS  23           1HG      LYS  23  -2.546 -10.182  -1.290
  195    HD2  LYS  23           2HD      LYS  23  -4.438 -11.499   0.044
  196    HD3  LYS  23           1HD      LYS  23  -5.373 -10.069  -0.397
  197    HE2  LYS  23           2HE      LYS  23  -5.228 -10.507  -2.653
  198    HE3  LYS  23           1HE      LYS  23  -3.743 -11.443  -2.484
  199    HZ1  LYS  23           3HZ      LYS  23  -5.442 -12.956  -1.106
  200    HZ2  LYS  23           1HZ      LYS  23  -5.152 -13.156  -2.762
  201    HZ3  LYS  23           2HZ      LYS  23  -6.508 -12.294  -2.239
  202    H    ASP  24           H        ASP  24  -0.086 -11.219   2.178
  203    HA   ASP  24           HA       ASP  24  -0.392 -10.130   4.802
  204    HB2  ASP  24           2HB      ASP  24  -0.213 -12.611   4.135
  205    HB3  ASP  24           1HB      ASP  24   1.524 -12.334   4.057
  206    H    TYR  25           H        TYR  25   2.136 -10.171   2.388
  207    HA   TYR  25           HA       TYR  25   4.240  -9.263   4.061
  208    HB2  TYR  25           2HB      TYR  25   4.045 -10.173   1.464
  209    HB3  TYR  25           1HB      TYR  25   4.423  -8.466   1.247
  210    HD1  TYR  25           1HD      TYR  25   5.545 -11.079   3.681
  211    HD2  TYR  25           2HD      TYR  25   6.657  -8.170   0.782
  212    HE1  TYR  25           1HE      TYR  25   7.917 -11.558   4.120
  213    HE2  TYR  25           2HE      TYR  25   9.032  -8.641   1.213
  214    HH   TYR  25           HH       TYR  25  10.398  -9.581   3.176
  215    H    LEU  26           H        LEU  26   2.099  -7.586   1.764
  216    HA   LEU  26           HA       LEU  26   3.118  -5.004   2.250
  217    HB2  LEU  26           2HB      LEU  26   1.346  -4.194   0.960
  218    HB3  LEU  26           1HB      LEU  26   1.654  -5.794   0.313
  219    HG   LEU  26           HG       LEU  26  -0.258  -6.500   1.980
  220   HD11  LEU  26          1HD1      LEU  26  -0.459  -3.549   1.839
  221   HD12  LEU  26          2HD1      LEU  26  -0.899  -4.657   3.139
  222   HD13  LEU  26          3HD1      LEU  26  -1.958  -4.472   1.740
  223   HD21  LEU  26          3HD2      LEU  26  -1.888  -6.142   0.173
  224   HD22  LEU  26          1HD2      LEU  26  -0.358  -6.779  -0.424
  225   HD23  LEU  26          2HD2      LEU  26  -0.742  -5.070  -0.630
  226    H    TYR  27           H        TYR  27   0.639  -6.917   3.826
  227    HA   TYR  27           HA       TYR  27  -0.464  -4.823   5.390
  228    HB2  TYR  27           2HB      TYR  27  -0.762  -7.710   5.163
  229    HB3  TYR  27           1HB      TYR  27  -0.846  -7.172   6.837
  230    HD1  TYR  27           2HD      TYR  27  -2.202  -6.223   3.484
  231    HD2  TYR  27           1HD      TYR  27  -2.913  -6.565   7.664
  232    HE1  TYR  27           2HE      TYR  27  -4.536  -5.534   3.136
  233    HE2  TYR  27           1HE      TYR  27  -5.250  -5.877   7.330
  234    HH   TYR  27           HH       TYR  27  -6.806  -5.958   4.527
  235    H    ASP  28           H        ASP  28   2.214  -7.044   5.828
  236    HA   ASP  28           HA       ASP  28   2.669  -6.500   8.572
  237    HB2  ASP  28           2HB      ASP  28   3.592  -8.401   6.972
  238    HB3  ASP  28           1HB      ASP  28   4.924  -7.267   6.769
  239    H    VAL  29           H        VAL  29   3.962  -5.137   5.575
  240    HA   VAL  29           HA       VAL  29   5.894  -3.453   6.718
  241    HB   VAL  29           HB       VAL  29   4.318  -2.857   4.212
  242   HG11  VAL  29          1HG1      VAL  29   6.161  -1.316   5.468
  243   HG12  VAL  29          2HG1      VAL  29   5.855  -1.289   3.732
  244   HG13  VAL  29          3HG1      VAL  29   7.187  -2.249   4.378
  245   HG21  VAL  29          3HG2      VAL  29   6.289  -4.962   4.791
  246   HG22  VAL  29          1HG2      VAL  29   6.596  -4.024   3.328
  247   HG23  VAL  29          2HG2      VAL  29   5.061  -4.869   3.528
  248    H    LEU  30           H        LEU  30   2.512  -2.815   5.820
  249    HA   LEU  30           HA       LEU  30   2.493  -0.122   6.679
  250    HB2  LEU  30           2HB      LEU  30   0.383  -2.155   6.076
  251    HB3  LEU  30           1HB      LEU  30  -0.071  -0.638   6.830
  252    HG   LEU  30           HG       LEU  30   1.611  -0.451   4.396
  253   HD11  LEU  30          1HD1      LEU  30  -1.054  -1.728   4.457
  254   HD12  LEU  30          2HD1      LEU  30   0.274  -1.921   3.314
  255   HD13  LEU  30          3HD1      LEU  30  -0.782  -0.513   3.207
  256   HD21  LEU  30          3HD2      LEU  30   0.831   1.525   5.628
  257   HD22  LEU  30          1HD2      LEU  30  -0.839   1.033   5.342
  258   HD23  LEU  30          2HD2      LEU  30   0.195   1.477   3.984
  259    H    ARG  31           H        ARG  31   1.664  -3.161   8.281
  260    HA   ARG  31           HA       ARG  31   0.547  -2.152  10.619
  261    HB2  ARG  31           2HB      ARG  31   0.624  -4.563   9.900
  262    HB3  ARG  31           1HB      ARG  31   2.296  -4.605  10.438
  263    HG2  ARG  31           2HG      ARG  31   1.495  -5.253  12.407
  264    HG3  ARG  31           1HG      ARG  31   0.970  -3.582  12.620
  265    HD2  ARG  31           2HD      ARG  31  -1.210  -4.089  11.778
  266    HD3  ARG  31           1HD      ARG  31  -0.704  -5.707  11.294
  267    HE   ARG  31           HE       ARG  31  -1.529  -4.863  13.902
  268   HH11  ARG  31          1HH1      ARG  31   0.455  -7.151  12.168
  269   HH12  ARG  31          2HH1      ARG  31   0.417  -8.332  13.432
  270   HH21  ARG  31          1HH2      ARG  31  -1.577  -6.415  15.568
  271   HH22  ARG  31          2HH2      ARG  31  -0.735  -7.915  15.363
  272    H    MET  32           H        MET  32   3.925  -2.730   9.785
  273    HA   MET  32           HA       MET  32   4.861  -1.819  12.366
  274    HB2  MET  32           2HB      MET  32   7.092  -2.224  11.487
  275    HB3  MET  32           1HB      MET  32   6.052  -3.602  11.153
  276    HG2  MET  32           2HG      MET  32   6.058  -3.242   8.903
  277    HG3  MET  32           1HG      MET  32   6.305  -1.505   9.068
  278    HE1  MET  32           3HE      MET  32   8.447  -0.522  10.089
  279    HE2  MET  32           1HE      MET  32  10.060  -1.198   9.862
  280    HE3  MET  32           2HE      MET  32   9.055  -1.747  11.203
  281    H    TYR  33           H        TYR  33   4.345  -0.516   9.185
  282    HA   TYR  33           HA       TYR  33   6.002   1.737   9.298
  283    HB2  TYR  33           2HB      TYR  33   4.945   1.034   7.224
  284    HB3  TYR  33           1HB      TYR  33   3.349   1.349   7.896
  285    HD1  TYR  33           2HD      TYR  33   6.409   3.457   8.104
  286    HD2  TYR  33           1HD      TYR  33   2.487   3.022   6.513
  287    HE1  TYR  33           2HE      TYR  33   6.508   5.760   7.244
  288    HE2  TYR  33           1HE      TYR  33   2.576   5.322   5.647
  289    HH   TYR  33           HH       TYR  33   3.736   7.376   5.989
  290    H    HIS  34           H        HIS  34   2.812   1.125  10.617
  291    HA   HIS  34           HA       HIS  34   2.146   3.786  11.268
  292    HB2  HIS  34           2HB      HIS  34   0.947   1.261  11.528
  293    HB3  HIS  34           1HB      HIS  34   1.064   1.892  13.167
  294    HD1  HIS  34           1HD      HIS  34  -0.995   2.042  10.199
  295    HD2  HIS  34           2HD      HIS  34  -0.170   4.571  13.392
  296    HE1  HIS  34           1HE      HIS  34  -2.849   3.741  10.209
  297    HE2  HIS  34           2HE      HIS  34  -2.374   5.210  12.199
  298    H    GLN  35           H        GLN  35   3.646   1.201  13.191
  299    HA   GLN  35           HA       GLN  35   4.020   2.868  15.484
  300    HB2  GLN  35           2HB      GLN  35   4.752   0.097  14.704
  301    HB3  GLN  35           1HB      GLN  35   5.706   0.850  15.975
  302    HG2  GLN  35           2HG      GLN  35   3.813   1.128  17.361
  303    HG3  GLN  35           1HG      GLN  35   2.707   0.722  16.049
  304   HE21  GLN  35          1HE2      GLN  35   2.625  -0.534  18.517
  305   HE22  GLN  35          2HE2      GLN  35   3.087  -2.186  18.323
  306    H    THR  36           H        THR  36   6.272   1.448  13.137
  307    HA   THR  36           HA       THR  36   8.560   2.788  14.069
  308    HB   THR  36           HB       THR  36   9.592   2.134  11.952
  309    HG1  THR  36           1HG      THR  36   6.918   1.636  11.188
  310   HG21  THR  36          3HG2      THR  36   8.874   0.392  13.783
  311   HG22  THR  36          1HG2      THR  36   9.574  -0.118  12.247
  312   HG23  THR  36          2HG2      THR  36   7.827  -0.188  12.487
  313    H    MET  37           H        MET  37   6.145   3.651  11.653
  314    HA   MET  37           HA       MET  37   5.674   5.606  10.592
  315    HB2  MET  37           2HB      MET  37   7.105   6.516  13.046
  316    HB3  MET  37           1HB      MET  37   6.806   7.694  11.776
  317    HG2  MET  37           2HG      MET  37   4.687   6.011  13.093
  318    HG3  MET  37           1HG      MET  37   5.076   7.673  13.530
  319    HE1  MET  37           3HE      MET  37   1.557   7.386  11.543
  320    HE2  MET  37           1HE      MET  37   2.214   8.176  12.976
  321    HE3  MET  37           2HE      MET  37   2.331   6.425  12.803
  322    H    ASP  38           H        ASP  38   7.918   4.047   9.716
  323    HA   ASP  38           HA       ASP  38   9.774   6.110   8.749
  324    HB2  ASP  38           2HB      ASP  38  10.383   3.740   9.897
  325    HB3  ASP  38           1HB      ASP  38  10.345   3.254   8.206
  326    H    VAL  39           H        VAL  39   8.898   6.975   6.950
  327    HA   VAL  39           HA       VAL  39   7.314   5.579   5.077
  328    HB   VAL  39           HB       VAL  39   8.904   8.089   4.547
  329   HG11  VAL  39          1HG1      VAL  39   6.745   8.469   3.120
  330   HG12  VAL  39          2HG1      VAL  39   6.627   6.711   3.201
  331   HG13  VAL  39          3HG1      VAL  39   8.059   7.467   2.501
  332   HG21  VAL  39          3HG2      VAL  39   7.549   9.281   5.857
  333   HG22  VAL  39          1HG2      VAL  39   7.022   7.748   6.553
  334   HG23  VAL  39          2HG2      VAL  39   6.111   8.474   5.229
  335    H    ALA  40           H        ALA  40  10.760   6.364   5.174
  336    HA   ALA  40           HA       ALA  40  11.444   5.532   2.594
  337    HB1  ALA  40           1HB      ALA  40  12.955   5.832   5.150
  338    HB2  ALA  40           2HB      ALA  40  13.119   6.720   3.635
  339    HB3  ALA  40           3HB      ALA  40  13.732   5.072   3.761
  340    H    VAL  41           H        VAL  41  11.072   3.715   5.588
  341    HA   VAL  41           HA       VAL  41  12.127   1.273   4.549
  342    HB   VAL  41           HB       VAL  41  10.282   1.608   6.914
  343   HG11  VAL  41          1HG1      VAL  41  10.382  -0.665   6.530
  344   HG12  VAL  41          2HG1      VAL  41  11.733  -0.431   7.639
  345   HG13  VAL  41          3HG1      VAL  41  12.031  -0.593   5.908
  346   HG21  VAL  41          3HG2      VAL  41  12.112   2.037   8.293
  347   HG22  VAL  41          1HG2      VAL  41  12.427   3.030   6.870
  348   HG23  VAL  41          2HG2      VAL  41  13.273   1.498   7.081
  349    H    LEU  42           H        LEU  42   8.872   2.559   5.030
  350    HA   LEU  42           HA       LEU  42   7.437   0.279   4.258
  351    HB2  LEU  42           2HB      LEU  42   6.376   2.150   5.383
  352    HB3  LEU  42           1HB      LEU  42   6.713   3.199   4.018
  353    HG   LEU  42           HG       LEU  42   5.275   1.280   2.777
  354   HD11  LEU  42          1HD1      LEU  42   3.783   1.551   5.345
  355   HD12  LEU  42          2HD1      LEU  42   4.997   0.284   5.170
  356   HD13  LEU  42          3HD1      LEU  42   3.619   0.344   4.070
  357   HD21  LEU  42          3HD2      LEU  42   5.012   3.876   3.083
  358   HD22  LEU  42          1HD2      LEU  42   3.756   3.394   4.223
  359   HD23  LEU  42          2HD2      LEU  42   3.658   2.885   2.538
  360    H    VAL  43           H        VAL  43   8.603   3.037   2.355
  361    HA   VAL  43           HA       VAL  43   7.495   2.189  -0.106
  362    HB   VAL  43           HB       VAL  43   9.941   3.920   0.274
  363   HG11  VAL  43          1HG1      VAL  43   9.885   3.527  -1.982
  364   HG12  VAL  43          2HG1      VAL  43   8.819   4.929  -1.882
  365   HG13  VAL  43          3HG1      VAL  43   8.134   3.310  -2.012
  366   HG21  VAL  43          3HG2      VAL  43   8.670   5.675   0.873
  367   HG22  VAL  43          1HG2      VAL  43   7.511   4.444   1.373
  368   HG23  VAL  43          2HG2      VAL  43   7.351   5.215  -0.204
  369    H    GLY  44           H        GLY  44  10.649   1.679   1.416
  370    HA2  GLY  44           2HA      GLY  44  12.010   0.514  -0.711
  371    HA3  GLY  44           1HA      GLY  44  12.308   0.154   0.982
  372    H    ASP  45           H        ASP  45  10.396  -1.276   1.922
  373    HA   ASP  45           HA       ASP  45  10.627  -3.793   0.724
  374    HB2  ASP  45           2HB      ASP  45   9.970  -3.157   3.150
  375    HB3  ASP  45           1HB      ASP  45   8.326  -3.075   2.523
  376    H    LEU  46           H        LEU  46   7.935  -1.478   0.683
  377    HA   LEU  46           HA       LEU  46   6.121  -3.006  -0.779
  378    HB2  LEU  46           2HB      LEU  46   6.526  -0.071  -0.389
  379    HB3  LEU  46           1HB      LEU  46   5.352  -0.624  -1.568
  380    HG   LEU  46           HG       LEU  46   5.317  -1.403   1.348
  381   HD11  LEU  46          1HD1      LEU  46   3.376   0.476   0.074
  382   HD12  LEU  46          2HD1      LEU  46   4.913   1.076   0.700
  383   HD13  LEU  46          3HD1      LEU  46   3.777   0.263   1.777
  384   HD21  LEU  46          3HD2      LEU  46   4.163  -2.692  -0.743
  385   HD22  LEU  46          1HD2      LEU  46   2.888  -1.562  -0.291
  386   HD23  LEU  46          2HD2      LEU  46   3.531  -2.689   0.904
  387    H    LYS  47           H        LYS  47   8.914  -1.193  -1.818
  388    HA   LYS  47           HA       LYS  47   8.226  -1.143  -4.591
  389    HB2  LYS  47           2HB      LYS  47   9.919   0.337  -3.276
  390    HB3  LYS  47           1HB      LYS  47  11.046  -0.977  -3.578
  391    HG2  LYS  47           2HG      LYS  47  11.397  -0.298  -5.659
  392    HG3  LYS  47           1HG      LYS  47   9.666  -0.234  -5.995
  393    HD2  LYS  47           2HD      LYS  47  10.345   1.969  -6.305
  394    HD3  LYS  47           1HD      LYS  47   9.718   1.973  -4.657
  395    HE2  LYS  47           2HE      LYS  47  12.305   1.327  -4.206
  396    HE3  LYS  47           1HE      LYS  47  12.468   2.338  -5.642
  397    HZ1  LYS  47           3HZ      LYS  47  10.804   3.814  -4.182
  398    HZ2  LYS  47           1HZ      LYS  47  12.488   3.974  -4.119
  399    HZ3  LYS  47           2HZ      LYS  47  11.679   3.064  -2.945
  400    H    LEU  48           H        LEU  48  10.309  -3.187  -2.581
  401    HA   LEU  48           HA       LEU  48  11.355  -4.795  -4.616
  402    HB2  LEU  48           2HB      LEU  48  10.737  -5.644  -1.788
  403    HB3  LEU  48           1HB      LEU  48  11.894  -6.388  -2.874
  404    HG   LEU  48           HG       LEU  48  12.224  -3.513  -2.110
  405   HD11  LEU  48          1HD1      LEU  48  13.865  -5.005  -0.413
  406   HD12  LEU  48          2HD1      LEU  48  12.263  -5.730  -0.276
  407   HD13  LEU  48          3HD1      LEU  48  12.482  -4.008   0.037
  408   HD21  LEU  48          3HD2      LEU  48  13.777  -4.051  -3.714
  409   HD22  LEU  48          1HD2      LEU  48  13.911  -5.726  -3.178
  410   HD23  LEU  48          2HD2      LEU  48  14.670  -4.436  -2.244
  411    H    VAL  49           H        VAL  49   8.330  -5.008  -2.826
  412    HA   VAL  49           HA       VAL  49   7.632  -7.524  -4.094
  413    HB   VAL  49           HB       VAL  49   7.041  -6.721  -1.672
  414   HG11  VAL  49          1HG1      VAL  49   4.809  -5.795  -1.445
  415   HG12  VAL  49          2HG1      VAL  49   4.673  -5.662  -3.198
  416   HG13  VAL  49          3HG1      VAL  49   5.861  -4.691  -2.329
  417   HG21  VAL  49          3HG2      VAL  49   6.328  -8.815  -3.099
  418   HG22  VAL  49          1HG2      VAL  49   4.748  -8.034  -3.030
  419   HG23  VAL  49          2HG2      VAL  49   5.581  -8.472  -1.539
  420    H    ILE  50           H        ILE  50   6.499  -4.173  -4.111
  421    HA   ILE  50           HA       ILE  50   4.604  -4.723  -6.240
  422    HB   ILE  50           HB       ILE  50   5.327  -2.041  -5.058
  423   HG12  ILE  50          2HG1      ILE  50   3.154  -3.990  -4.256
  424   HG13  ILE  50          1HG1      ILE  50   4.551  -3.531  -3.289
  425   HG21  ILE  50          1HG2      ILE  50   2.665  -2.074  -5.882
  426   HG22  ILE  50          2HG2      ILE  50   3.551  -2.892  -7.169
  427   HG23  ILE  50          3HG2      ILE  50   4.016  -1.264  -6.676
  428   HD11  ILE  50          3HD1      ILE  50   3.558  -1.121  -3.602
  429   HD12  ILE  50          1HD1      ILE  50   2.953  -2.211  -2.355
  430   HD13  ILE  50          2HD1      ILE  50   2.066  -2.023  -3.867
  431    H    ASN  51           H        ASN  51   7.764  -4.630  -6.425
  432    HA   ASN  51           HA       ASN  51   8.571  -2.605  -8.114
  433    HB2  ASN  51           2HB      ASN  51   9.539  -5.221  -7.357
  434    HB3  ASN  51           1HB      ASN  51   9.866  -4.913  -9.060
  435   HD21  ASN  51          1HD2      ASN  51  11.570  -5.038  -6.587
  436   HD22  ASN  51          2HD2      ASN  51  12.495  -3.580  -6.631
  437    H    GLU  52           H        GLU  52   6.989  -5.657  -8.948
  438    HA   GLU  52           HA       GLU  52   7.118  -5.612 -11.682
  439    HB2  GLU  52           2HB      GLU  52   4.660  -6.407 -10.120
  440    HB3  GLU  52           1HB      GLU  52   5.151  -6.997 -11.702
  441    HG2  GLU  52           2HG      GLU  52   7.317  -7.676 -10.269
  442    HG3  GLU  52           1HG      GLU  52   6.080  -7.767  -9.015
  443    HA   PRO  53           HA       PRO  53   5.316  -1.638 -12.752
  444    HB2  PRO  53           2HB      PRO  53   4.863  -3.237 -15.242
  445    HB3  PRO  53           1HB      PRO  53   5.482  -1.591 -15.061
  446    HG2  PRO  53           2HG      PRO  53   7.133  -3.635 -15.538
  447    HG3  PRO  53           1HG      PRO  53   7.598  -2.308 -14.459
  448    HD2  PRO  53           2HD      PRO  53   6.847  -5.099 -13.801
  449    HD3  PRO  53           1HD      PRO  53   7.886  -3.967 -12.912
  450    H    SER  54           H        SER  54   3.769  -4.762 -13.338
  451    HA   SER  54           HA       SER  54   1.175  -3.752 -13.857
  452    HB2  SER  54           2HB      SER  54   2.369  -6.407 -13.302
  453    HB3  SER  54           1HB      SER  54   0.646  -6.240 -12.966
  454    HG   SER  54           HG       SER  54   0.531  -6.654 -15.041
  455    H    ARG  55           H        ARG  55   2.934  -4.354 -10.933
  456    HA   ARG  55           HA       ARG  55   0.550  -4.253  -9.273
  457    HB2  ARG  55           2HB      ARG  55   3.454  -4.387  -8.451
  458    HB3  ARG  55           1HB      ARG  55   2.063  -4.633  -7.405
  459    HG2  ARG  55           2HG      ARG  55   1.492  -6.660  -8.516
  460    HG3  ARG  55           1HG      ARG  55   2.692  -6.370  -9.778
  461    HD2  ARG  55           2HD      ARG  55   4.485  -6.587  -8.158
  462    HD3  ARG  55           1HD      ARG  55   3.314  -6.786  -6.857
  463    HE   ARG  55           HE       ARG  55   3.055  -8.730  -8.959
  464   HH11  ARG  55          1HH1      ARG  55   4.674  -7.942  -5.970
  465   HH12  ARG  55          2HH1      ARG  55   5.023  -9.593  -5.579
  466   HH21  ARG  55          1HH2      ARG  55   3.513 -10.901  -8.447
  467   HH22  ARG  55          2HH2      ARG  55   4.365 -11.272  -6.985
  468    H    LEU  56           H        LEU  56   2.325  -1.963 -10.814
  469    HA   LEU  56           HA       LEU  56   2.940  -0.053  -8.886
  470    HB2  LEU  56           2HB      LEU  56   2.116   0.232 -11.767
  471    HB3  LEU  56           1HB      LEU  56   2.593   1.603 -10.783
  472    HG   LEU  56           HG       LEU  56   4.367  -0.785 -11.269
  473   HD11  LEU  56          1HD1      LEU  56   3.697   0.581 -13.332
  474   HD12  LEU  56          2HD1      LEU  56   5.416   0.338 -13.021
  475   HD13  LEU  56          3HD1      LEU  56   4.656   1.877 -12.615
  476   HD21  LEU  56          3HD2      LEU  56   5.940   0.263 -10.046
  477   HD22  LEU  56          1HD2      LEU  56   4.550   1.063  -9.314
  478   HD23  LEU  56          2HD2      LEU  56   5.456   1.866 -10.596
  479    HA   PRO  57           HA       PRO  57  -1.654   1.655  -9.813
  480    HB2  PRO  57           2HB      PRO  57  -2.841  -1.084  -9.778
  481    HB3  PRO  57           1HB      PRO  57  -3.362   0.357 -10.658
  482    HG2  PRO  57           2HG      PRO  57  -2.082  -1.611 -11.913
  483    HG3  PRO  57           1HG      PRO  57  -1.764   0.086 -12.315
  484    HD2  PRO  57           2HD      PRO  57  -0.108  -1.838 -10.756
  485    HD3  PRO  57           1HD      PRO  57   0.399  -0.514 -11.823
  486    H    LEU  58           H        LEU  58  -0.592  -1.085  -7.914
  487    HA   LEU  58           HA       LEU  58  -2.457  -1.023  -5.845
  488    HB2  LEU  58           2HB      LEU  58  -0.292  -2.535  -6.404
  489    HB3  LEU  58           1HB      LEU  58   0.354  -1.558  -5.101
  490    HG   LEU  58           HG       LEU  58  -0.583  -3.752  -4.373
  491   HD11  LEU  58          1HD1      LEU  58  -0.410  -2.276  -2.617
  492   HD12  LEU  58          2HD1      LEU  58  -2.133  -2.648  -2.595
  493   HD13  LEU  58          3HD1      LEU  58  -1.567  -1.143  -3.316
  494   HD21  LEU  58          3HD2      LEU  58  -3.341  -2.741  -4.559
  495   HD22  LEU  58          1HD2      LEU  58  -2.716  -4.382  -4.723
  496   HD23  LEU  58          2HD2      LEU  58  -2.611  -3.260  -6.078
  497    H    PHE  59           H        PHE  59   0.620   0.726  -6.159
  498    HA   PHE  59           HA       PHE  59   0.738   1.981  -3.716
  499    HB2  PHE  59           2HB      PHE  59   1.580   2.881  -6.460
  500    HB3  PHE  59           1HB      PHE  59   1.848   3.896  -5.046
  501    HD1  PHE  59           1HD      PHE  59   2.779   2.279  -2.976
  502    HD2  PHE  59           2HD      PHE  59   3.477   1.816  -7.147
  503    HE1  PHE  59           1HE      PHE  59   4.856   1.052  -2.488
  504    HE2  PHE  59           2HE      PHE  59   5.555   0.587  -6.667
  505    HZ   PHE  59           HZ       PHE  59   6.246   0.204  -4.334
  506    H    ASP  60           H        ASP  60  -1.202   2.856  -6.521
  507    HA   ASP  60           HA       ASP  60  -2.066   5.376  -5.770
  508    HB2  ASP  60           2HB      ASP  60  -2.787   3.440  -7.720
  509    HB3  ASP  60           1HB      ASP  60  -4.272   3.966  -6.932
  510    H    ALA  61           H        ALA  61  -3.379   2.219  -4.889
  511    HA   ALA  61           HA       ALA  61  -5.518   3.257  -3.309
  512    HB1  ALA  61           1HB      ALA  61  -4.531   0.545  -2.714
  513    HB2  ALA  61           2HB      ALA  61  -5.007   0.840  -4.387
  514    HB3  ALA  61           3HB      ALA  61  -6.162   1.108  -3.080
  515    H    ILE  62           H        ILE  62  -2.172   2.498  -2.694
  516    HA   ILE  62           HA       ILE  62  -2.310   2.251   0.114
  517    HB   ILE  62           HB       ILE  62   0.050   3.267  -1.467
  518   HG12  ILE  62          2HG1      ILE  62  -0.686   1.191  -2.468
  519   HG13  ILE  62          1HG1      ILE  62   0.765   0.882  -1.522
  520   HG21  ILE  62          1HG2      ILE  62   1.309   2.976   0.378
  521   HG22  ILE  62          2HG2      ILE  62   0.403   1.556   0.903
  522   HG23  ILE  62          3HG2      ILE  62  -0.232   3.172   1.213
  523   HD11  ILE  62          3HD1      ILE  62  -0.466  -0.870  -0.819
  524   HD12  ILE  62          1HD1      ILE  62  -2.001  -0.054  -1.117
  525   HD13  ILE  62          2HD1      ILE  62  -1.068   0.324   0.331
  526    H    ARG  63           H        ARG  63  -1.923   5.048  -2.010
  527    HA   ARG  63           HA       ARG  63  -1.175   6.943  -0.105
  528    HB2  ARG  63           2HB      ARG  63  -2.066   6.946  -2.822
  529    HB3  ARG  63           1HB      ARG  63  -2.921   8.212  -1.953
  530    HG2  ARG  63           2HG      ARG  63  -1.015   9.406  -1.534
  531    HG3  ARG  63           1HG      ARG  63   0.025   7.982  -1.609
  532    HD2  ARG  63           2HD      ARG  63   0.272   9.573  -3.529
  533    HD3  ARG  63           1HD      ARG  63  -0.103   7.910  -3.982
  534    HE   ARG  63           HE       ARG  63  -2.112   8.623  -4.828
  535   HH11  ARG  63          1HH1      ARG  63  -0.734  11.163  -2.869
  536   HH12  ARG  63          2HH1      ARG  63  -1.901  12.345  -3.358
  537   HH21  ARG  63          1HH2      ARG  63  -3.649  10.176  -5.471
  538   HH22  ARG  63          2HH2      ARG  63  -3.556  11.785  -4.834
  539    HA   PRO  64           HA       PRO  64  -6.072   8.005   0.225
  540    HB2  PRO  64           2HB      PRO  64  -6.749   5.099  -0.072
  541    HB3  PRO  64           1HB      PRO  64  -7.731   6.520  -0.446
  542    HG2  PRO  64           2HG      PRO  64  -6.488   5.181  -2.380
  543    HG3  PRO  64           1HG      PRO  64  -6.598   6.950  -2.418
  544    HD2  PRO  64           2HD      PRO  64  -4.264   5.219  -1.853
  545    HD3  PRO  64           1HD      PRO  64  -4.319   6.862  -2.512
  546    H    LEU  65           H        LEU  65  -4.924   4.785   1.250
  547    HA   LEU  65           HA       LEU  65  -6.102   4.896   3.819
  548    HB2  LEU  65           2HB      LEU  65  -3.882   3.229   2.654
  549    HB3  LEU  65           1HB      LEU  65  -4.408   3.049   4.317
  550    HG   LEU  65           HG       LEU  65  -6.345   2.796   2.035
  551   HD11  LEU  65          1HD1      LEU  65  -4.269   0.895   2.927
  552   HD12  LEU  65          2HD1      LEU  65  -5.059   1.064   1.360
  553   HD13  LEU  65          3HD1      LEU  65  -5.887   0.239   2.680
  554   HD21  LEU  65          3HD2      LEU  65  -7.111   3.097   4.417
  555   HD22  LEU  65          1HD2      LEU  65  -6.374   1.533   4.766
  556   HD23  LEU  65          2HD2      LEU  65  -7.697   1.647   3.604
  557    H    ILE  66           H        ILE  66  -3.029   5.909   2.524
  558    HA   ILE  66           HA       ILE  66  -1.864   6.445   5.102
  559    HB   ILE  66           HB       ILE  66  -0.982   6.487   2.301
  560   HG12  ILE  66          2HG1      ILE  66   0.788   6.165   4.690
  561   HG13  ILE  66          1HG1      ILE  66  -0.408   4.924   4.331
  562   HG21  ILE  66          1HG2      ILE  66  -0.528   8.762   2.540
  563   HG22  ILE  66          2HG2      ILE  66   1.001   7.969   2.911
  564   HG23  ILE  66          3HG2      ILE  66  -0.017   8.576   4.216
  565   HD11  ILE  66          3HD1      ILE  66   0.587   4.813   2.019
  566   HD12  ILE  66          1HD1      ILE  66   1.602   4.223   3.335
  567   HD13  ILE  66          2HD1      ILE  66   1.902   5.814   2.637
  568    HA   PRO  67           HA       PRO  67  -3.509  10.442   5.996
  569    HB2  PRO  67           2HB      PRO  67  -1.013  11.611   6.682
  570    HB3  PRO  67           1HB      PRO  67  -2.210  10.917   7.776
  571    HG2  PRO  67           2HG      PRO  67   0.273   9.726   6.689
  572    HG3  PRO  67           1HG      PRO  67  -0.562   9.395   8.215
  573    HD2  PRO  67           2HD      PRO  67  -0.618   7.667   6.155
  574    HD3  PRO  67           1HD      PRO  67  -2.010   7.880   7.237
  575    H    LEU  68           H        LEU  68  -3.520  12.597   5.246
  576    HA   LEU  68           HA       LEU  68  -3.126  12.969   2.546
  577    HB2  LEU  68           2HB      LEU  68  -2.839  15.533   3.719
  578    HB3  LEU  68           1HB      LEU  68  -4.247  14.837   2.950
  579    HG   LEU  68           HG       LEU  68  -4.854  13.847   5.198
  580   HD11  LEU  68          1HD1      LEU  68  -3.845  14.769   7.173
  581   HD12  LEU  68          2HD1      LEU  68  -2.795  15.805   6.204
  582   HD13  LEU  68          3HD1      LEU  68  -2.580  14.054   6.175
  583   HD21  LEU  68          3HD2      LEU  68  -4.759  16.790   5.524
  584   HD22  LEU  68          1HD2      LEU  68  -6.114  15.671   5.684
  585   HD23  LEU  68          2HD2      LEU  68  -5.553  16.154   4.084
  586    H    LYS  69           H        LYS  69  -1.178  14.743   4.952
  587    HA   LYS  69           HA       LYS  69   0.791  15.689   3.338
  588    HB2  LYS  69           2HB      LYS  69   2.301  15.595   5.321
  589    HB3  LYS  69           1HB      LYS  69   0.723  16.295   5.658
  590    HG2  LYS  69           2HG      LYS  69   0.028  14.026   6.504
  591    HG3  LYS  69           1HG      LYS  69   1.728  13.563   6.400
  592    HD2  LYS  69           2HD      LYS  69   1.483  16.081   7.758
  593    HD3  LYS  69           1HD      LYS  69   0.422  14.890   8.512
  594    HE2  LYS  69           2HE      LYS  69   2.142  13.689   9.319
  595    HE3  LYS  69           1HE      LYS  69   3.100  13.893   7.853
  596    HZ1  LYS  69           3HZ      LYS  69   4.338  15.170   9.208
  597    HZ2  LYS  69           1HZ      LYS  69   3.070  15.479  10.285
  598    HZ3  LYS  69           2HZ      LYS  69   3.188  16.356   8.844
  599    H    HIS  70           H        HIS  70   0.653  12.457   4.761
  600    HA   HIS  70           HA       HIS  70   3.182  11.618   3.794
  601    HB2  HIS  70           2HB      HIS  70   0.776  10.188   4.874
  602    HB3  HIS  70           1HB      HIS  70   2.141   9.284   4.223
  603    HD1  HIS  70           1HD      HIS  70   2.257   8.412   6.791
  604    HD2  HIS  70           2HD      HIS  70   3.326  12.370   6.107
  605    HE1  HIS  70           1HE      HIS  70   3.544   9.123   8.832
  606    HE2  HIS  70           2HE      HIS  70   4.116  11.543   8.428
  607    H    GLN  71           H        GLN  71  -0.036  11.637   2.418
  608    HA   GLN  71           HA       GLN  71   0.404   9.796   0.334
  609    HB2  GLN  71           2HB      GLN  71  -1.519  12.070   0.717
  610    HB3  GLN  71           1HB      GLN  71  -1.443  11.223  -0.821
  611    HG2  GLN  71           2HG      GLN  71  -2.043   9.154   0.213
  612    HG3  GLN  71           1HG      GLN  71  -1.924   9.871   1.819
  613   HE21  GLN  71          1HE2      GLN  71  -3.748   9.849  -1.173
  614   HE22  GLN  71          2HE2      GLN  71  -5.211  10.484  -0.506
  615    H    VAL  72           H        VAL  72   0.682  13.322   0.431
  616    HA   VAL  72           HA       VAL  72   1.512  13.690  -2.222
  617    HB   VAL  72           HB       VAL  72   2.316  15.414   0.123
  618   HG11  VAL  72          1HG1      VAL  72   2.100  17.196  -1.700
  619   HG12  VAL  72          2HG1      VAL  72   2.132  15.851  -2.839
  620   HG13  VAL  72          3HG1      VAL  72   3.502  16.125  -1.765
  621   HG21  VAL  72          3HG2      VAL  72   0.171  16.674  -0.898
  622   HG22  VAL  72          1HG2      VAL  72   0.083  15.544   0.455
  623   HG23  VAL  72          2HG2      VAL  72  -0.301  14.997  -1.179
  624    H    GLU  73           H        GLU  73   3.440  13.401   0.767
  625    HA   GLU  73           HA       GLU  73   5.945  13.582  -0.525
  626    HB2  GLU  73           2HB      GLU  73   5.608  13.934   1.910
  627    HB3  GLU  73           1HB      GLU  73   5.289  12.215   2.092
  628    HG2  GLU  73           2HG      GLU  73   7.817  12.848   0.754
  629    HG3  GLU  73           1HG      GLU  73   7.706  13.394   2.428
  630    H    TYR  74           H        TYR  74   3.929  10.810   0.363
  631    HA   TYR  74           HA       TYR  74   5.699   8.759  -0.252
  632    HB2  TYR  74           2HB      TYR  74   3.414   8.495   0.772
  633    HB3  TYR  74           1HB      TYR  74   2.731   8.723  -0.834
  634    HD1  TYR  74           2HD      TYR  74   5.392   6.640   0.775
  635    HD2  TYR  74           1HD      TYR  74   2.130   6.802  -1.952
  636    HE1  TYR  74           2HE      TYR  74   5.645   4.233   0.340
  637    HE2  TYR  74           1HE      TYR  74   2.374   4.395  -2.394
  638    HH   TYR  74           HH       TYR  74   3.729   2.323  -0.602
  639    H    ASP  75           H        ASP  75   3.627  10.692  -2.324
  640    HA   ASP  75           HA       ASP  75   4.232   9.267  -4.725
  641    HB2  ASP  75           2HB      ASP  75   2.188  10.736  -4.285
  642    HB3  ASP  75           1HB      ASP  75   3.249  12.115  -4.555
  643    H    GLN  76           H        GLN  76   5.637  11.962  -2.985
  644    HA   GLN  76           HA       GLN  76   7.244  12.978  -5.077
  645    HB2  GLN  76           2HB      GLN  76   7.220  13.207  -2.105
  646    HB3  GLN  76           1HB      GLN  76   8.672  13.707  -2.959
  647    HG2  GLN  76           2HG      GLN  76   5.949  14.733  -3.686
  648    HG3  GLN  76           1HG      GLN  76   6.957  15.498  -2.459
  649   HE21  GLN  76          1HE2      GLN  76   8.625  16.766  -3.070
  650   HE22  GLN  76          2HE2      GLN  76   9.023  17.124  -4.712
  651    H    LEU  77           H        LEU  77   7.625  10.305  -2.870
  652    HA   LEU  77           HA       LEU  77  10.412   9.923  -3.604
  653    HB2  LEU  77           2HB      LEU  77   8.582   8.412  -1.744
  654    HB3  LEU  77           1HB      LEU  77  10.246   7.955  -2.055
  655    HG   LEU  77           HG       LEU  77   9.621  10.708  -1.055
  656   HD11  LEU  77          1HD1      LEU  77   9.935   8.250   0.664
  657   HD12  LEU  77          2HD1      LEU  77   8.451   9.179   0.451
  658   HD13  LEU  77          3HD1      LEU  77   9.847   9.916   1.236
  659   HD21  LEU  77          3HD2      LEU  77  11.835  10.842  -0.628
  660   HD22  LEU  77          1HD2      LEU  77  11.925   9.591  -1.868
  661   HD23  LEU  77          2HD2      LEU  77  11.958   9.146  -0.162
  662    H    THR  78           H        THR  78   7.279   8.392  -4.085
  663    HA   THR  78           HA       THR  78   8.471   6.302  -5.723
  664    HB   THR  78           HB       THR  78   6.146   5.428  -5.861
  665    HG1  THR  78           1HG      THR  78   4.537   6.433  -4.711
  666   HG21  THR  78          3HG2      THR  78   5.815   5.005  -3.395
  667   HG22  THR  78          1HG2      THR  78   7.258   5.986  -3.135
  668   HG23  THR  78          2HG2      THR  78   7.360   4.502  -4.080
  669    HA   PRO  79           HA       PRO  79   7.711   8.660  -9.427
  670    HB2  PRO  79           2HB      PRO  79   8.319   6.754 -11.238
  671    HB3  PRO  79           1HB      PRO  79   9.558   7.566 -10.273
  672    HG2  PRO  79           2HG      PRO  79   8.299   4.880  -9.868
  673    HG3  PRO  79           1HG      PRO  79  10.004   5.349  -9.728
  674    HD2  PRO  79           2HD      PRO  79   8.358   5.060  -7.578
  675    HD3  PRO  79           1HD      PRO  79   9.727   6.186  -7.606
  676    H    ARG  80           H        ARG  80   6.383   8.520 -11.409
  677    HA   ARG  80           HA       ARG  80   4.021   6.800 -11.013
  678    HB2  ARG  80           2HB      ARG  80   3.860   9.396 -10.675
  679    HB3  ARG  80           1HB      ARG  80   3.850   9.432 -12.434
  680    HG2  ARG  80           2HG      ARG  80   1.767   8.581 -12.578
  681    HG3  ARG  80           1HG      ARG  80   1.973   7.545 -11.164
  682    HD2  ARG  80           2HD      ARG  80   1.082   9.068  -9.789
  683    HD3  ARG  80           1HD      ARG  80   2.010  10.383 -10.510
  684    HE   ARG  80           HE       ARG  80   0.203  10.898 -11.823
  685   HH11  ARG  80          1HH1      ARG  80  -0.281   7.746 -10.405
  686   HH12  ARG  80          2HH1      ARG  80  -1.925   7.622 -10.936
  687   HH21  ARG  80          1HH2      ARG  80  -1.959  10.739 -12.520
  688   HH22  ARG  80          2HH2      ARG  80  -2.878   9.320 -12.137
  Start of MODEL    7
    1    H1   MET   1           1HT      MET   1 -12.139   5.440  12.523
    2    H2   MET   1           2HT      MET   1 -11.385   6.051  11.108
    3    H3   MET   1           3HT      MET   1 -12.586   4.830  10.983
    4    HA   MET   1           HA       MET   1 -14.124   6.449  12.069
    5    HB2  MET   1           2HB      MET   1 -11.966   8.345  11.122
    6    HB3  MET   1           1HB      MET   1 -13.498   8.789  11.863
    7    HG2  MET   1           2HG      MET   1 -12.824   7.805  13.954
    8    HG3  MET   1           1HG      MET   1 -11.335   7.204  13.227
    9    HE1  MET   1           2HE      MET   1 -10.065   8.862  11.682
   10    HE2  MET   1           3HE      MET   1  -9.287  10.241  12.459
   11    HE3  MET   1           1HE      MET   1 -10.750  10.477  11.503
   12    H    ASP   2           H        ASP   2 -12.020   7.259   9.297
   13    HA   ASP   2           HA       ASP   2 -14.405   7.101   7.572
   14    HB2  ASP   2           2HB      ASP   2 -11.995   8.902   7.454
   15    HB3  ASP   2           1HB      ASP   2 -13.004   8.625   6.037
   16    H    ARG   3           H        ARG   3 -14.082   4.856   7.223
   17    HA   ARG   3           HA       ARG   3 -11.684   4.166   5.668
   18    HB2  ARG   3           2HB      ARG   3 -13.156   2.795   7.727
   19    HB3  ARG   3           1HB      ARG   3 -13.142   1.826   6.260
   20    HG2  ARG   3           2HG      ARG   3 -10.662   2.096   6.197
   21    HG3  ARG   3           1HG      ARG   3 -10.766   2.873   7.780
   22    HD2  ARG   3           2HD      ARG   3 -10.293   0.670   8.319
   23    HD3  ARG   3           1HD      ARG   3 -12.046   0.744   8.484
   24    HE   ARG   3           HE       ARG   3 -10.534  -0.664   6.434
   25   HH11  ARG   3          1HH1      ARG   3 -13.658   0.409   7.579
   26   HH12  ARG   3          2HH1      ARG   3 -14.536  -0.729   6.615
   27   HH21  ARG   3          1HH2      ARG   3 -11.694  -2.153   5.167
   28   HH22  ARG   3          2HH2      ARG   3 -13.424  -2.181   5.247
   29    H    LYS   4           H        LYS   4 -12.013   4.338   3.551
   30    HA   LYS   4           HA       LYS   4 -14.444   3.139   2.424
   31    HB2  LYS   4           2HB      LYS   4 -13.888   5.901   2.459
   32    HB3  LYS   4           1HB      LYS   4 -13.576   5.369   0.812
   33    HG2  LYS   4           2HG      LYS   4 -15.826   4.357   0.748
   34    HG3  LYS   4           1HG      LYS   4 -16.130   4.999   2.364
   35    HD2  LYS   4           2HD      LYS   4 -17.108   6.523   0.825
   36    HD3  LYS   4           1HD      LYS   4 -15.636   7.284   1.433
   37    HE2  LYS   4           2HE      LYS   4 -14.745   7.381  -0.608
   38    HE3  LYS   4           1HE      LYS   4 -15.113   5.687  -0.922
   39    HZ1  LYS   4           3HZ      LYS   4 -16.253   7.763  -2.190
   40    HZ2  LYS   4           1HZ      LYS   4 -17.407   7.436  -0.997
   41    HZ3  LYS   4           2HZ      LYS   4 -16.937   6.221  -2.074
   42    H    VAL   5           H        VAL   5 -11.340   4.619   1.450
   43    HA   VAL   5           HA       VAL   5 -11.047   3.170  -0.926
   44    HB   VAL   5           HB       VAL   5  -8.754   4.130   0.782
   45   HG11  VAL   5          1HG1      VAL   5  -8.188   4.620  -1.868
   46   HG12  VAL   5          2HG1      VAL   5  -9.034   3.073  -1.916
   47   HG13  VAL   5          3HG1      VAL   5  -7.594   3.258  -0.916
   48   HG21  VAL   5          3HG2      VAL   5  -9.509   5.994  -1.266
   49   HG22  VAL   5          1HG2      VAL   5  -9.346   6.249   0.472
   50   HG23  VAL   5          2HG2      VAL   5 -10.878   5.688  -0.197
   51    H    ALA   6           H        ALA   6 -10.461   2.279   2.376
   52    HA   ALA   6           HA       ALA   6  -8.614   0.236   2.125
   53    HB1  ALA   6           1HB      ALA   6 -10.057   1.247   4.175
   54    HB2  ALA   6           2HB      ALA   6  -9.092  -0.226   4.274
   55    HB3  ALA   6           3HB      ALA   6 -10.827  -0.328   3.974
   56    H    ARG   7           H        ARG   7 -12.130   0.080   1.754
   57    HA   ARG   7           HA       ARG   7 -12.287  -2.684   1.253
   58    HB2  ARG   7           2HB      ARG   7 -14.122  -0.755   1.665
   59    HB3  ARG   7           1HB      ARG   7 -14.252  -0.916  -0.081
   60    HG2  ARG   7           2HG      ARG   7 -14.294  -3.520   0.713
   61    HG3  ARG   7           1HG      ARG   7 -15.125  -2.721   2.048
   62    HD2  ARG   7           2HD      ARG   7 -16.269  -1.510  -0.102
   63    HD3  ARG   7           1HD      ARG   7 -15.967  -3.128  -0.735
   64    HE   ARG   7           HE       ARG   7 -17.184  -3.232   1.832
   65   HH11  ARG   7          1HH1      ARG   7 -17.873  -2.659  -1.542
   66   HH12  ARG   7          2HH1      ARG   7 -19.526  -3.158  -1.417
   67   HH21  ARG   7          1HH2      ARG   7 -19.358  -3.889   1.997
   68   HH22  ARG   7          2HH2      ARG   7 -20.370  -3.855   0.592
   69    H    GLU   8           H        GLU   8 -12.263   0.073  -0.974
   70    HA   GLU   8           HA       GLU   8 -12.294  -1.392  -3.358
   71    HB2  GLU   8           2HB      GLU   8 -11.642   1.373  -2.560
   72    HB3  GLU   8           1HB      GLU   8 -10.881   0.832  -4.050
   73    HG2  GLU   8           2HG      GLU   8 -13.728   0.190  -3.858
   74    HG3  GLU   8           1HG      GLU   8 -13.368   1.915  -3.856
   75    H    PHE   9           H        PHE   9  -9.688  -0.527  -1.193
   76    HA   PHE   9           HA       PHE   9  -7.514  -1.100  -2.882
   77    HB2  PHE   9           2HB      PHE   9  -7.243   0.113  -0.774
   78    HB3  PHE   9           1HB      PHE   9  -7.722  -1.320   0.130
   79    HD1  PHE   9           1HD      PHE   9  -5.090   0.149  -1.987
   80    HD2  PHE   9           2HD      PHE   9  -6.179  -3.060   0.588
   81    HE1  PHE   9           1HE      PHE   9  -2.739  -0.571  -1.896
   82    HE2  PHE   9           2HE      PHE   9  -3.830  -3.784   0.684
   83    HZ   PHE   9           HZ       PHE   9  -2.107  -2.540  -0.559
   84    H    ARG  10           H        ARG  10  -9.235  -3.129  -0.522
   85    HA   ARG  10           HA       ARG  10  -7.723  -5.456  -0.871
   86    HB2  ARG  10           2HB      ARG  10 -10.349  -4.767   0.267
   87    HB3  ARG  10           1HB      ARG  10 -10.208  -6.428  -0.290
   88    HG2  ARG  10           2HG      ARG  10  -9.399  -6.800   1.761
   89    HG3  ARG  10           1HG      ARG  10  -7.896  -6.161   1.090
   90    HD2  ARG  10           2HD      ARG  10  -8.033  -4.793   2.888
   91    HD3  ARG  10           1HD      ARG  10  -9.064  -3.862   1.801
   92    HE   ARG  10           HE       ARG  10 -10.796  -5.546   3.034
   93   HH11  ARG  10          1HH1      ARG  10  -8.399  -3.290   4.192
   94   HH12  ARG  10          2HH1      ARG  10  -9.255  -2.939   5.655
   95   HH21  ARG  10          1HH2      ARG  10 -11.924  -5.085   4.956
   96   HH22  ARG  10          2HH2      ARG  10 -11.257  -3.958   6.089
   97    H    HIS  11           H        HIS  11 -10.590  -4.278  -2.577
   98    HA   HIS  11           HA       HIS  11 -10.922  -6.581  -4.203
   99    HB2  HIS  11           2HB      HIS  11 -11.968  -3.780  -4.252
  100    HB3  HIS  11           1HB      HIS  11 -12.182  -4.793  -5.676
  101    HD1  HIS  11           1HD      HIS  11 -13.830  -6.762  -5.493
  102    HD2  HIS  11           2HD      HIS  11 -13.481  -4.529  -2.008
  103    HE1  HIS  11           1HE      HIS  11 -15.735  -7.500  -4.029
  104    HE2  HIS  11           2HE      HIS  11 -15.448  -6.203  -1.888
  105    H    LYS  12           H        LYS  12  -9.339  -3.451  -4.737
  106    HA   LYS  12           HA       LYS  12  -8.596  -3.898  -7.411
  107    HB2  LYS  12           2HB      LYS  12  -8.296  -1.847  -5.518
  108    HB3  LYS  12           1HB      LYS  12  -6.663  -2.273  -6.005
  109    HG2  LYS  12           2HG      LYS  12  -8.865  -1.644  -7.950
  110    HG3  LYS  12           1HG      LYS  12  -7.728  -0.446  -7.331
  111    HD2  LYS  12           2HD      LYS  12  -5.890  -1.521  -8.348
  112    HD3  LYS  12           1HD      LYS  12  -6.824  -2.984  -8.669
  113    HE2  LYS  12           2HE      LYS  12  -8.264  -1.037  -9.970
  114    HE3  LYS  12           1HE      LYS  12  -6.598  -0.521 -10.220
  115    HZ1  LYS  12           3HZ      LYS  12  -7.058  -3.342 -10.641
  116    HZ2  LYS  12           1HZ      LYS  12  -6.191  -2.231 -11.581
  117    HZ3  LYS  12           2HZ      LYS  12  -7.872  -2.335 -11.730
  118    H    VAL  13           H        VAL  13  -6.643  -4.190  -4.442
  119    HA   VAL  13           HA       VAL  13  -4.311  -5.157  -5.560
  120    HB   VAL  13           HB       VAL  13  -5.454  -6.019  -2.900
  121   HG11  VAL  13          1HG1      VAL  13  -3.544  -7.353  -3.599
  122   HG12  VAL  13          2HG1      VAL  13  -3.102  -6.299  -2.256
  123   HG13  VAL  13          3HG1      VAL  13  -2.610  -5.887  -3.899
  124   HG21  VAL  13          3HG2      VAL  13  -4.963  -3.433  -3.706
  125   HG22  VAL  13          1HG2      VAL  13  -3.472  -3.885  -2.881
  126   HG23  VAL  13          2HG2      VAL  13  -5.016  -4.005  -2.038
  127    H    ASP  14           H        ASP  14  -7.157  -6.991  -4.489
  128    HA   ASP  14           HA       ASP  14  -6.133  -9.556  -4.969
  129    HB2  ASP  14           2HB      ASP  14  -8.321  -8.810  -3.771
  130    HB3  ASP  14           1HB      ASP  14  -9.036  -8.901  -5.377
  131    H    PHE  15           H        PHE  15  -7.840  -7.290  -7.070
  132    HA   PHE  15           HA       PHE  15  -8.065  -9.046  -9.288
  133    HB2  PHE  15           2HB      PHE  15  -9.328  -6.829  -8.791
  134    HB3  PHE  15           1HB      PHE  15  -7.942  -6.055  -9.551
  135    HD1  PHE  15           1HD      PHE  15  -7.314  -6.836 -11.911
  136    HD2  PHE  15           2HD      PHE  15 -11.072  -7.643 -10.083
  137    HE1  PHE  15           1HE      PHE  15  -8.302  -7.238 -14.129
  138    HE2  PHE  15           2HE      PHE  15 -12.066  -8.048 -12.297
  139    HZ   PHE  15           HZ       PHE  15 -10.681  -7.845 -14.324
  140    H    LEU  16           H        LEU  16  -5.627  -6.740  -8.241
  141    HA   LEU  16           HA       LEU  16  -4.086  -6.988 -10.665
  142    HB2  LEU  16           2HB      LEU  16  -3.183  -5.798  -8.052
  143    HB3  LEU  16           1HB      LEU  16  -2.531  -5.489  -9.649
  144    HG   LEU  16           HG       LEU  16  -5.388  -4.810  -9.191
  145   HD11  LEU  16          1HD1      LEU  16  -4.161  -2.482  -8.499
  146   HD12  LEU  16          2HD1      LEU  16  -3.161  -3.672  -7.665
  147   HD13  LEU  16          3HD1      LEU  16  -4.898  -3.611  -7.362
  148   HD21  LEU  16          3HD2      LEU  16  -4.572  -2.816 -10.572
  149   HD22  LEU  16          1HD2      LEU  16  -4.633  -4.391 -11.363
  150   HD23  LEU  16          2HD2      LEU  16  -3.091  -3.745 -10.801
  151    H    ILE  17           H        ILE  17  -3.220  -7.608  -7.278
  152    HA   ILE  17           HA       ILE  17  -1.063  -9.320  -7.947
  153    HB   ILE  17           HB       ILE  17  -2.493  -9.167  -5.297
  154   HG12  ILE  17          2HG1      ILE  17  -0.230  -7.480  -6.390
  155   HG13  ILE  17          1HG1      ILE  17  -1.852  -6.925  -5.988
  156   HG21  ILE  17          1HG2      ILE  17   0.272  -9.551  -4.982
  157   HG22  ILE  17          2HG2      ILE  17  -0.242 -10.670  -6.245
  158   HG23  ILE  17          3HG2      ILE  17  -1.022 -10.706  -4.663
  159   HD11  ILE  17          3HD1      ILE  17   0.377  -7.713  -4.165
  160   HD12  ILE  17          1HD1      ILE  17  -1.295  -7.746  -3.610
  161   HD13  ILE  17          2HD1      ILE  17  -0.587  -6.236  -4.183
  162    H    GLU  18           H        GLU  18  -4.133 -10.063  -6.319
  163    HA   GLU  18           HA       GLU  18  -5.528 -11.866  -6.477
  164    HB2  GLU  18           2HB      GLU  18  -4.741 -11.786  -8.955
  165    HB3  GLU  18           1HB      GLU  18  -3.745 -13.165  -8.510
  166    HG2  GLU  18           2HG      GLU  18  -6.201 -13.861  -7.519
  167    HG3  GLU  18           1HG      GLU  18  -6.610 -13.000  -9.002
  168    H    ASN  19           H        ASN  19  -2.456 -11.860  -5.374
  169    HA   ASN  19           HA       ASN  19  -2.416 -14.690  -4.642
  170    HB2  ASN  19           2HB      ASN  19  -0.389 -13.158  -5.531
  171    HB3  ASN  19           1HB      ASN  19  -0.210 -12.895  -3.800
  172   HD21  ASN  19          1HD2      ASN  19   1.839 -14.054  -4.926
  173   HD22  ASN  19          2HD2      ASN  19   1.898 -15.750  -4.600
  174    H    ASP  20           H        ASP  20  -1.329 -14.936  -2.317
  175    HA   ASP  20           HA       ASP  20  -2.935 -13.285  -0.480
  176    HB2  ASP  20           2HB      ASP  20  -2.081 -16.162  -0.097
  177    HB3  ASP  20           1HB      ASP  20  -3.092 -15.219   0.995
  178    H    ALA  21           H        ALA  21   0.123 -14.966  -0.958
  179    HA   ALA  21           HA       ALA  21   1.306 -14.203   1.495
  180    HB1  ALA  21           1HB      ALA  21   2.206 -15.445  -1.012
  181    HB2  ALA  21           2HB      ALA  21   2.557 -15.878   0.661
  182    HB3  ALA  21           3HB      ALA  21   3.446 -14.569  -0.117
  183    H    GLU  22           H        GLU  22   1.488 -12.840  -1.764
  184    HA   GLU  22           HA       GLU  22   3.267 -10.753  -1.183
  185    HB2  GLU  22           2HB      GLU  22   1.083 -10.769  -3.270
  186    HB3  GLU  22           1HB      GLU  22   2.512  -9.745  -3.264
  187    HG2  GLU  22           2HG      GLU  22   2.776 -12.721  -3.278
  188    HG3  GLU  22           1HG      GLU  22   2.461 -11.835  -4.770
  189    H    LYS  23           H        LYS  23  -0.253 -10.926  -1.067
  190    HA   LYS  23           HA       LYS  23  -0.690  -8.195  -0.467
  191    HB2  LYS  23           2HB      LYS  23  -2.286 -10.387  -1.027
  192    HB3  LYS  23           1HB      LYS  23  -2.677 -10.024   0.648
  193    HG2  LYS  23           2HG      LYS  23  -3.039  -7.635  -0.090
  194    HG3  LYS  23           1HG      LYS  23  -2.947  -8.234  -1.748
  195    HD2  LYS  23           2HD      LYS  23  -4.898  -9.167   0.359
  196    HD3  LYS  23           1HD      LYS  23  -5.266  -8.064  -0.970
  197    HE2  LYS  23           2HE      LYS  23  -4.416  -9.953  -2.494
  198    HE3  LYS  23           1HE      LYS  23  -4.597 -10.987  -1.076
  199    HZ1  LYS  23           3HZ      LYS  23  -6.542 -10.748  -2.737
  200    HZ2  LYS  23           1HZ      LYS  23  -6.837  -9.284  -1.940
  201    HZ3  LYS  23           2HZ      LYS  23  -6.870 -10.740  -1.077
  202    H    ASP  24           H        ASP  24   0.066 -10.993   1.488
  203    HA   ASP  24           HA       ASP  24  -0.587  -9.790   3.994
  204    HB2  ASP  24           2HB      ASP  24   0.599 -12.315   3.066
  205    HB3  ASP  24           1HB      ASP  24   1.235 -11.749   4.609
  206    H    TYR  25           H        TYR  25   2.245  -9.905   1.955
  207    HA   TYR  25           HA       TYR  25   4.102  -8.974   3.899
  208    HB2  TYR  25           2HB      TYR  25   4.333 -10.020   1.392
  209    HB3  TYR  25           1HB      TYR  25   4.648  -8.316   1.076
  210    HD1  TYR  25           1HD      TYR  25   6.357  -7.206   2.793
  211    HD2  TYR  25           2HD      TYR  25   6.123 -11.367   1.937
  212    HE1  TYR  25           1HE      TYR  25   8.673  -7.490   3.568
  213    HE2  TYR  25           2HE      TYR  25   8.438 -11.663   2.711
  214    HH   TYR  25           HH       TYR  25  10.578  -9.209   3.091
  215    H    LEU  26           H        LEU  26   2.273  -7.366   1.308
  216    HA   LEU  26           HA       LEU  26   3.283  -4.779   1.831
  217    HB2  LEU  26           2HB      LEU  26   1.713  -3.987   0.284
  218    HB3  LEU  26           1HB      LEU  26   2.117  -5.598  -0.274
  219    HG   LEU  26           HG       LEU  26  -0.023  -6.271   1.111
  220   HD11  LEU  26          1HD1      LEU  26  -0.183  -3.331   0.886
  221   HD12  LEU  26          2HD1      LEU  26  -0.875  -4.419   2.089
  222   HD13  LEU  26          3HD1      LEU  26  -1.651  -4.234   0.516
  223   HD21  LEU  26          3HD2      LEU  26  -0.106  -4.929  -1.587
  224   HD22  LEU  26          1HD2      LEU  26  -1.360  -5.983  -0.934
  225   HD23  LEU  26          2HD2      LEU  26   0.249  -6.627  -1.270
  226    H    TYR  27           H        TYR  27   0.564  -6.595   3.103
  227    HA   TYR  27           HA       TYR  27  -0.680  -4.406   4.424
  228    HB2  TYR  27           2HB      TYR  27  -1.219  -7.162   4.049
  229    HB3  TYR  27           1HB      TYR  27  -1.205  -6.880   5.785
  230    HD1  TYR  27           1HD      TYR  27  -2.495  -4.582   6.439
  231    HD2  TYR  27           2HD      TYR  27  -3.263  -6.982   3.011
  232    HE1  TYR  27           1HE      TYR  27  -4.769  -3.659   6.310
  233    HE2  TYR  27           2HE      TYR  27  -5.540  -6.065   2.873
  234    HH   TYR  27           HH       TYR  27  -7.197  -4.949   4.809
  235    H    ASP  28           H        ASP  28   1.733  -6.786   5.361
  236    HA   ASP  28           HA       ASP  28   1.824  -6.159   8.109
  237    HB2  ASP  28           2HB      ASP  28   3.491  -7.666   6.197
  238    HB3  ASP  28           1HB      ASP  28   4.358  -7.016   7.585
  239    H    VAL  29           H        VAL  29   3.616  -4.922   5.321
  240    HA   VAL  29           HA       VAL  29   5.382  -3.258   6.755
  241    HB   VAL  29           HB       VAL  29   4.358  -2.805   3.949
  242   HG11  VAL  29          1HG1      VAL  29   5.982  -1.266   3.673
  243   HG12  VAL  29          2HG1      VAL  29   7.124  -2.130   4.702
  244   HG13  VAL  29          3HG1      VAL  29   5.867  -1.130   5.428
  245   HG21  VAL  29          3HG2      VAL  29   6.946  -4.157   4.414
  246   HG22  VAL  29          1HG2      VAL  29   5.756  -4.390   3.133
  247   HG23  VAL  29          2HG2      VAL  29   5.492  -5.105   4.722
  248    H    LEU  30           H        LEU  30   2.191  -2.675   5.336
  249    HA   LEU  30           HA       LEU  30   2.102   0.095   5.917
  250    HB2  LEU  30           2HB      LEU  30  -0.013  -1.959   5.327
  251    HB3  LEU  30           1HB      LEU  30  -0.426  -0.295   5.691
  252    HG   LEU  30           HG       LEU  30   1.542  -0.838   3.512
  253   HD11  LEU  30          1HD1      LEU  30  -1.342  -1.523   3.483
  254   HD12  LEU  30          2HD1      LEU  30   0.008  -2.250   2.612
  255   HD13  LEU  30          3HD1      LEU  30  -0.676  -0.721   2.061
  256   HD21  LEU  30          3HD2      LEU  30   0.588   1.444   4.553
  257   HD22  LEU  30          1HD2      LEU  30  -0.625   1.159   3.305
  258   HD23  LEU  30          2HD2      LEU  30   1.080   1.279   2.868
  259    H    ARG  31           H        ARG  31   0.866  -2.764   7.617
  260    HA   ARG  31           HA       ARG  31  -0.455  -1.485   9.703
  261    HB2  ARG  31           2HB      ARG  31   0.807  -4.158   9.348
  262    HB3  ARG  31           1HB      ARG  31   0.371  -3.669  10.980
  263    HG2  ARG  31           2HG      ARG  31  -1.551  -3.658   8.667
  264    HG3  ARG  31           1HG      ARG  31  -1.356  -5.012   9.784
  265    HD2  ARG  31           2HD      ARG  31  -1.753  -2.406  11.073
  266    HD3  ARG  31           1HD      ARG  31  -3.120  -2.961  10.108
  267    HE   ARG  31           HE       ARG  31  -2.195  -4.060  12.596
  268   HH11  ARG  31          1HH1      ARG  31  -3.948  -4.729   9.653
  269   HH12  ARG  31          2HH1      ARG  31  -4.863  -6.026  10.344
  270   HH21  ARG  31          1HH2      ARG  31  -3.397  -5.766  13.507
  271   HH22  ARG  31          2HH2      ARG  31  -4.551  -6.614  12.533
  272    H    MET  32           H        MET  32   2.949  -2.296   9.332
  273    HA   MET  32           HA       MET  32   3.628  -1.321  11.967
  274    HB2  MET  32           2HB      MET  32   5.100  -2.572   9.699
  275    HB3  MET  32           1HB      MET  32   6.024  -1.585  10.824
  276    HG2  MET  32           2HG      MET  32   4.769  -3.054  12.613
  277    HG3  MET  32           1HG      MET  32   4.643  -4.177  11.259
  278    HE1  MET  32           3HE      MET  32   8.489  -2.677  13.251
  279    HE2  MET  32           1HE      MET  32   6.889  -1.937  13.317
  280    HE3  MET  32           2HE      MET  32   7.894  -1.737  11.881
  281    H    TYR  33           H        TYR  33   3.663  -0.170   8.668
  282    HA   TYR  33           HA       TYR  33   5.345   2.047   8.956
  283    HB2  TYR  33           2HB      TYR  33   4.661   1.291   6.763
  284    HB3  TYR  33           1HB      TYR  33   2.969   1.615   7.133
  285    HD1  TYR  33           1HD      TYR  33   5.888   3.800   7.855
  286    HD2  TYR  33           2HD      TYR  33   2.408   3.191   5.484
  287    HE1  TYR  33           1HE      TYR  33   6.125   6.068   6.935
  288    HE2  TYR  33           2HE      TYR  33   2.636   5.456   4.557
  289    HH   TYR  33           HH       TYR  33   4.787   7.773   5.872
  290    H    HIS  34           H        HIS  34   2.014   1.543   9.866
  291    HA   HIS  34           HA       HIS  34   1.333   4.278  10.230
  292    HB2  HIS  34           2HB      HIS  34   0.147   1.688  11.203
  293    HB3  HIS  34           1HB      HIS  34  -0.493   3.240  11.731
  294    HD1  HIS  34           1HD      HIS  34  -2.631   2.046  10.405
  295    HD2  HIS  34           2HD      HIS  34   0.461   3.626   8.124
  296    HE1  HIS  34           1HE      HIS  34  -3.591   2.371   8.104
  297    HE2  HIS  34           2HE      HIS  34  -1.728   3.409   6.765
  298    H    GLN  35           H        GLN  35   2.355   1.725  12.485
  299    HA   GLN  35           HA       GLN  35   2.401   3.482  14.739
  300    HB2  GLN  35           2HB      GLN  35   3.099   0.648  14.211
  301    HB3  GLN  35           1HB      GLN  35   3.881   1.412  15.588
  302    HG2  GLN  35           2HG      GLN  35   1.972   1.537  16.784
  303    HG3  GLN  35           1HG      GLN  35   0.963   1.788  15.360
  304   HE21  GLN  35          1HE2      GLN  35   0.586  -0.012  17.624
  305   HE22  GLN  35          2HE2      GLN  35   0.467  -1.601  16.959
  306    H    THR  36           H        THR  36   4.851   2.124  12.589
  307    HA   THR  36           HA       THR  36   7.041   3.351  13.969
  308    HB   THR  36           HB       THR  36   8.397   2.568  12.079
  309    HG1  THR  36           1HG      THR  36   7.373   2.568  10.248
  310   HG21  THR  36          3HG2      THR  36   8.160   0.256  12.341
  311   HG22  THR  36          1HG2      THR  36   6.435   0.387  12.685
  312   HG23  THR  36          2HG2      THR  36   7.615   0.954  13.866
  313    H    MET  37           H        MET  37   5.124   4.114  11.109
  314    HA   MET  37           HA       MET  37   4.872   6.030   9.910
  315    HB2  MET  37           2HB      MET  37   6.371   7.363  12.171
  316    HB3  MET  37           1HB      MET  37   5.361   8.158  10.970
  317    HG2  MET  37           2HG      MET  37   3.639   6.334  12.037
  318    HG3  MET  37           1HG      MET  37   4.624   6.770  13.430
  319    HE1  MET  37           3HE      MET  37   1.008   8.857  12.237
  320    HE2  MET  37           1HE      MET  37   1.466   7.165  12.434
  321    HE3  MET  37           2HE      MET  37   1.816   8.002  10.923
  322    H    ASP  38           H        ASP  38   7.077   4.341   9.362
  323    HA   ASP  38           HA       ASP  38   9.188   6.242   8.601
  324    HB2  ASP  38           2HB      ASP  38   9.249   3.222   8.775
  325    HB3  ASP  38           1HB      ASP  38  10.596   4.225   8.245
  326    H    VAL  39           H        VAL  39   8.516   7.103   6.702
  327    HA   VAL  39           HA       VAL  39   7.118   5.757   4.675
  328    HB   VAL  39           HB       VAL  39   8.955   8.122   4.289
  329   HG11  VAL  39          1HG1      VAL  39   7.142   8.636   2.539
  330   HG12  VAL  39          2HG1      VAL  39   6.705   6.936   2.705
  331   HG13  VAL  39          3HG1      VAL  39   8.325   7.382   2.173
  332   HG21  VAL  39          3HG2      VAL  39   7.496   9.486   5.299
  333   HG22  VAL  39          1HG2      VAL  39   6.867   8.026   6.061
  334   HG23  VAL  39          2HG2      VAL  39   6.102   8.660   4.605
  335    H    ALA  40           H        ALA  40  10.588   6.408   5.064
  336    HA   ALA  40           HA       ALA  40  11.487   5.366   2.647
  337    HB1  ALA  40           1HB      ALA  40  13.561   5.686   3.474
  338    HB2  ALA  40           2HB      ALA  40  13.202   4.860   4.991
  339    HB3  ALA  40           3HB      ALA  40  12.692   6.531   4.753
  340    H    VAL  41           H        VAL  41  10.654   3.733   5.649
  341    HA   VAL  41           HA       VAL  41  11.687   1.187   4.869
  342    HB   VAL  41           HB       VAL  41   9.583   1.747   6.961
  343   HG11  VAL  41          1HG1      VAL  41  10.025  -0.635   6.131
  344   HG12  VAL  41          2HG1      VAL  41  10.094  -0.348   7.870
  345   HG13  VAL  41          3HG1      VAL  41  11.586  -0.489   6.940
  346   HG21  VAL  41          3HG2      VAL  41  11.800   3.045   7.125
  347   HG22  VAL  41          1HG2      VAL  41  12.519   1.481   7.512
  348   HG23  VAL  41          2HG2      VAL  41  11.250   2.148   8.540
  349    H    LEU  42           H        LEU  42   8.556   2.773   4.661
  350    HA   LEU  42           HA       LEU  42   7.084   0.481   3.869
  351    HB2  LEU  42           2HB      LEU  42   5.982   2.441   4.791
  352    HB3  LEU  42           1HB      LEU  42   6.534   3.417   3.444
  353    HG   LEU  42           HG       LEU  42   5.187   1.612   2.041
  354   HD11  LEU  42          1HD1      LEU  42   3.233   0.811   3.161
  355   HD12  LEU  42          2HD1      LEU  42   3.671   1.661   4.642
  356   HD13  LEU  42          3HD1      LEU  42   4.644   0.300   4.087
  357   HD21  LEU  42          3HD2      LEU  42   3.349   3.501   3.333
  358   HD22  LEU  42          1HD2      LEU  42   3.772   3.307   1.632
  359   HD23  LEU  42          2HD2      LEU  42   4.831   4.222   2.704
  360    H    VAL  43           H        VAL  43   8.479   3.184   2.018
  361    HA   VAL  43           HA       VAL  43   7.687   2.363  -0.523
  362    HB   VAL  43           HB       VAL  43  10.288   3.758   0.107
  363   HG11  VAL  43          1HG1      VAL  43   9.868   4.823  -2.106
  364   HG12  VAL  43          2HG1      VAL  43   8.511   3.720  -2.327
  365   HG13  VAL  43          3HG1      VAL  43  10.150   3.085  -2.188
  366   HG21  VAL  43          3HG2      VAL  43   9.048   5.356   1.054
  367   HG22  VAL  43          1HG2      VAL  43   7.541   4.632   0.494
  368   HG23  VAL  43          2HG2      VAL  43   8.452   5.705  -0.568
  369    H    GLY  44           H        GLY  44  10.665   1.602   1.266
  370    HA2  GLY  44           2HA      GLY  44  11.889   0.082  -0.764
  371    HA3  GLY  44           1HA      GLY  44  12.246  -0.032   0.953
  372    H    ASP  45           H        ASP  45  10.068  -1.032   2.094
  373    HA   ASP  45           HA       ASP  45  10.149  -3.758   1.462
  374    HB2  ASP  45           2HB      ASP  45   8.902  -2.092   3.432
  375    HB3  ASP  45           1HB      ASP  45   7.709  -3.233   2.819
  376    H    LEU  46           H        LEU  46   7.670  -1.314   0.749
  377    HA   LEU  46           HA       LEU  46   5.816  -2.983  -0.495
  378    HB2  LEU  46           2HB      LEU  46   6.437  -0.073  -0.621
  379    HB3  LEU  46           1HB      LEU  46   5.364  -0.739  -1.837
  380    HG   LEU  46           HG       LEU  46   4.932  -0.859   1.149
  381   HD11  LEU  46          1HD1      LEU  46   3.320   0.637  -0.899
  382   HD12  LEU  46          2HD1      LEU  46   4.656   1.372  -0.012
  383   HD13  LEU  46          3HD1      LEU  46   3.249   0.763   0.858
  384   HD21  LEU  46          3HD2      LEU  46   3.960  -2.808   0.246
  385   HD22  LEU  46          1HD2      LEU  46   3.364  -1.949  -1.173
  386   HD23  LEU  46          2HD2      LEU  46   2.640  -1.651   0.408
  387    H    LYS  47           H        LYS  47   8.749  -1.510  -1.726
  388    HA   LYS  47           HA       LYS  47   8.243  -2.080  -4.471
  389    HB2  LYS  47           2HB      LYS  47  10.209  -0.699  -2.984
  390    HB3  LYS  47           1HB      LYS  47  11.057  -1.937  -3.900
  391    HG2  LYS  47           2HG      LYS  47  10.976  -0.626  -5.678
  392    HG3  LYS  47           1HG      LYS  47   9.217  -0.767  -5.671
  393    HD2  LYS  47           2HD      LYS  47   9.529   1.525  -5.576
  394    HD3  LYS  47           1HD      LYS  47   9.330   1.103  -3.874
  395    HE2  LYS  47           2HE      LYS  47  11.186   2.457  -3.782
  396    HE3  LYS  47           1HE      LYS  47  11.931   0.865  -3.931
  397    HZ1  LYS  47           3HZ      LYS  47  11.336   2.325  -6.393
  398    HZ2  LYS  47           1HZ      LYS  47  12.618   1.278  -6.041
  399    HZ3  LYS  47           2HZ      LYS  47  12.637   2.867  -5.459
  400    H    LEU  48           H        LEU  48  10.043  -3.712  -1.898
  401    HA   LEU  48           HA       LEU  48  11.231  -5.735  -3.390
  402    HB2  LEU  48           2HB      LEU  48  10.217  -5.714  -0.552
  403    HB3  LEU  48           1HB      LEU  48  11.118  -7.057  -1.231
  404    HG   LEU  48           HG       LEU  48  12.390  -4.401  -1.494
  405   HD11  LEU  48          1HD1      LEU  48  11.585  -5.531   1.104
  406   HD12  LEU  48          2HD1      LEU  48  11.966  -3.869   0.654
  407   HD13  LEU  48          3HD1      LEU  48  13.267  -5.018   0.973
  408   HD21  LEU  48          3HD2      LEU  48  13.147  -7.241  -1.154
  409   HD22  LEU  48          1HD2      LEU  48  14.246  -6.034  -0.483
  410   HD23  LEU  48          2HD2      LEU  48  13.836  -5.998  -2.199
  411    H    VAL  49           H        VAL  49   8.109  -5.824  -1.666
  412    HA   VAL  49           HA       VAL  49   7.377  -8.394  -2.575
  413    HB   VAL  49           HB       VAL  49   6.371  -6.958  -0.657
  414   HG11  VAL  49          1HG1      VAL  49   5.658  -5.066  -2.016
  415   HG12  VAL  49          2HG1      VAL  49   4.290  -5.818  -1.196
  416   HG13  VAL  49          3HG1      VAL  49   4.562  -6.117  -2.913
  417   HG21  VAL  49          3HG2      VAL  49   4.153  -8.177  -0.949
  418   HG22  VAL  49          1HG2      VAL  49   5.616  -9.160  -0.928
  419   HG23  VAL  49          2HG2      VAL  49   4.826  -8.791  -2.460
  420    H    ILE  50           H        ILE  50   6.602  -5.154  -3.732
  421    HA   ILE  50           HA       ILE  50   4.961  -5.970  -5.887
  422    HB   ILE  50           HB       ILE  50   6.444  -3.411  -5.308
  423   HG12  ILE  50          2HG1      ILE  50   3.475  -3.732  -5.536
  424   HG13  ILE  50          1HG1      ILE  50   4.298  -4.279  -4.080
  425   HG21  ILE  50          1HG2      ILE  50   4.530  -2.835  -7.252
  426   HG22  ILE  50          2HG2      ILE  50   5.380  -4.258  -7.851
  427   HG23  ILE  50          3HG2      ILE  50   6.283  -2.803  -7.439
  428   HD11  ILE  50          3HD1      ILE  50   3.465  -1.668  -4.762
  429   HD12  ILE  50          1HD1      ILE  50   5.226  -1.670  -4.686
  430   HD13  ILE  50          2HD1      ILE  50   4.282  -2.216  -3.298
  431    H    ASN  51           H        ASN  51   7.859  -4.098  -6.547
  432    HA   ASN  51           HA       ASN  51   9.432  -4.260  -8.183
  433    HB2  ASN  51           2HB      ASN  51   9.292  -7.015  -7.021
  434    HB3  ASN  51           1HB      ASN  51  10.334  -6.715  -8.409
  435   HD21  ASN  51          1HD2      ASN  51  11.224  -7.515  -5.866
  436   HD22  ASN  51          2HD2      ASN  51  12.201  -6.246  -5.216
  437    H    GLU  52           H        GLU  52   6.831  -4.230  -9.214
  438    HA   GLU  52           HA       GLU  52   7.311  -5.418 -11.788
  439    HB2  GLU  52           2HB      GLU  52   4.894  -6.294 -10.202
  440    HB3  GLU  52           1HB      GLU  52   5.211  -6.688 -11.884
  441    HG2  GLU  52           2HG      GLU  52   7.279  -7.859 -11.151
  442    HG3  GLU  52           1HG      GLU  52   6.784  -7.579  -9.483
  443    HA   PRO  53           HA       PRO  53   5.357  -1.527 -12.791
  444    HB2  PRO  53           2HB      PRO  53   4.913  -2.896 -15.395
  445    HB3  PRO  53           1HB      PRO  53   5.658  -1.329 -15.059
  446    HG2  PRO  53           2HG      PRO  53   7.151  -3.432 -15.730
  447    HG3  PRO  53           1HG      PRO  53   7.704  -2.271 -14.508
  448    HD2  PRO  53           2HD      PRO  53   6.577  -5.013 -14.147
  449    HD3  PRO  53           1HD      PRO  53   7.862  -4.191 -13.238
  450    H    SER  54           H        SER  54   3.923  -4.678 -13.303
  451    HA   SER  54           HA       SER  54   1.319  -3.795 -13.985
  452    HB2  SER  54           2HB      SER  54   2.054  -6.403 -12.641
  453    HB3  SER  54           1HB      SER  54   0.627  -6.072 -13.622
  454    HG   SER  54           HG       SER  54   2.210  -5.607 -15.353
  455    H    ARG  55           H        ARG  55   2.978  -4.279 -10.953
  456    HA   ARG  55           HA       ARG  55   0.533  -3.991  -9.409
  457    HB2  ARG  55           2HB      ARG  55   3.311  -4.045  -8.267
  458    HB3  ARG  55           1HB      ARG  55   1.805  -4.530  -7.504
  459    HG2  ARG  55           2HG      ARG  55   1.719  -6.543  -8.684
  460    HG3  ARG  55           1HG      ARG  55   2.893  -5.995  -9.881
  461    HD2  ARG  55           2HD      ARG  55   4.326  -7.230  -8.645
  462    HD3  ARG  55           1HD      ARG  55   4.371  -5.783  -7.645
  463    HE   ARG  55           HE       ARG  55   3.205  -6.899  -6.008
  464   HH11  ARG  55          1HH1      ARG  55   3.169  -8.783  -8.947
  465   HH12  ARG  55          2HH1      ARG  55   2.539 -10.201  -8.178
  466   HH21  ARG  55          1HH2      ARG  55   2.378  -8.764  -4.996
  467   HH22  ARG  55          2HH2      ARG  55   2.091 -10.189  -5.937
  468    H    LEU  56           H        LEU  56   2.894  -1.952 -10.757
  469    HA   LEU  56           HA       LEU  56   3.311   0.052  -8.944
  470    HB2  LEU  56           2HB      LEU  56   3.075  -0.032 -11.896
  471    HB3  LEU  56           1HB      LEU  56   3.000   1.550 -11.147
  472    HG   LEU  56           HG       LEU  56   5.254  -0.411 -10.729
  473   HD11  LEU  56          1HD1      LEU  56   5.015   0.429 -13.084
  474   HD12  LEU  56          2HD1      LEU  56   6.537   0.832 -12.290
  475   HD13  LEU  56          3HD1      LEU  56   5.276   2.055 -12.452
  476   HD21  LEU  56          3HD2      LEU  56   6.420   1.584  -9.853
  477   HD22  LEU  56          1HD2      LEU  56   5.012   1.135  -8.892
  478   HD23  LEU  56          2HD2      LEU  56   4.920   2.498 -10.010
  479    HA   PRO  57           HA       PRO  57  -0.957   2.100 -10.455
  480    HB2  PRO  57           2HB      PRO  57  -2.379  -0.514 -10.687
  481    HB3  PRO  57           1HB      PRO  57  -2.615   0.980 -11.601
  482    HG2  PRO  57           2HG      PRO  57  -1.341  -1.087 -12.690
  483    HG3  PRO  57           1HG      PRO  57  -0.801   0.576 -12.988
  484    HD2  PRO  57           2HD      PRO  57   0.385  -1.518 -11.228
  485    HD3  PRO  57           1HD      PRO  57   1.186  -0.252 -12.179
  486    H    LEU  58           H        LEU  58  -0.430  -0.753  -8.508
  487    HA   LEU  58           HA       LEU  58  -2.575  -0.553  -6.731
  488    HB2  LEU  58           2HB      LEU  58  -1.018  -2.475  -6.900
  489    HB3  LEU  58           1HB      LEU  58   0.225  -1.506  -6.134
  490    HG   LEU  58           HG       LEU  58  -2.064  -1.443  -4.447
  491   HD11  LEU  58          1HD1      LEU  58  -3.047  -3.390  -5.054
  492   HD12  LEU  58          2HD1      LEU  58  -1.807  -4.059  -3.992
  493   HD13  LEU  58          3HD1      LEU  58  -1.565  -4.056  -5.739
  494   HD21  LEU  58          3HD2      LEU  58  -0.513  -1.814  -2.860
  495   HD22  LEU  58          1HD2      LEU  58   0.628  -1.542  -4.177
  496   HD23  LEU  58          2HD2      LEU  58   0.188  -3.187  -3.717
  497    H    PHE  59           H        PHE  59   0.571   1.044  -6.736
  498    HA   PHE  59           HA       PHE  59   0.636   2.156  -4.219
  499    HB2  PHE  59           2HB      PHE  59   1.599   3.172  -6.881
  500    HB3  PHE  59           1HB      PHE  59   1.828   4.119  -5.415
  501    HD1  PHE  59           1HD      PHE  59   2.492   0.756  -6.857
  502    HD2  PHE  59           2HD      PHE  59   3.677   3.747  -4.073
  503    HE1  PHE  59           1HE      PHE  59   4.530  -0.525  -6.355
  504    HE2  PHE  59           2HE      PHE  59   5.718   2.472  -3.566
  505    HZ   PHE  59           HZ       PHE  59   6.148   0.333  -4.707
  506    H    ASP  60           H        ASP  60  -1.222   3.179  -7.015
  507    HA   ASP  60           HA       ASP  60  -2.035   5.698  -6.218
  508    HB2  ASP  60           2HB      ASP  60  -2.505   4.388  -8.410
  509    HB3  ASP  60           1HB      ASP  60  -3.944   3.818  -7.571
  510    H    ALA  61           H        ALA  61  -3.596   2.590  -5.536
  511    HA   ALA  61           HA       ALA  61  -5.655   3.718  -3.916
  512    HB1  ALA  61           1HB      ALA  61  -4.752   0.853  -3.821
  513    HB2  ALA  61           2HB      ALA  61  -5.707   1.499  -5.156
  514    HB3  ALA  61           3HB      ALA  61  -6.359   1.512  -3.517
  515    H    ILE  62           H        ILE  62  -2.395   2.701  -3.295
  516    HA   ILE  62           HA       ILE  62  -2.655   2.253  -0.505
  517    HB   ILE  62           HB       ILE  62  -0.194   3.063  -2.061
  518   HG12  ILE  62          2HG1      ILE  62  -1.083   0.303  -1.203
  519   HG13  ILE  62          1HG1      ILE  62  -1.340   0.957  -2.817
  520   HG21  ILE  62          1HG2      ILE  62   0.924   1.820  -0.108
  521   HG22  ILE  62          2HG2      ILE  62  -0.604   2.065   0.739
  522   HG23  ILE  62          3HG2      ILE  62   0.328   3.455   0.181
  523   HD11  ILE  62          3HD1      ILE  62   0.686   0.324  -3.426
  524   HD12  ILE  62          1HD1      ILE  62   0.900  -0.416  -1.838
  525   HD13  ILE  62          2HD1      ILE  62   1.407   1.252  -2.110
  526    H    ARG  63           H        ARG  63  -2.019   5.118  -2.446
  527    HA   ARG  63           HA       ARG  63  -1.138   6.843  -0.439
  528    HB2  ARG  63           2HB      ARG  63  -2.307   7.124  -3.124
  529    HB3  ARG  63           1HB      ARG  63  -2.549   8.512  -2.074
  530    HG2  ARG  63           2HG      ARG  63  -0.327   9.023  -1.998
  531    HG3  ARG  63           1HG      ARG  63   0.177   7.350  -2.254
  532    HD2  ARG  63           2HD      ARG  63   0.725   8.461  -4.248
  533    HD3  ARG  63           1HD      ARG  63  -0.768   7.594  -4.603
  534    HE   ARG  63           HE       ARG  63  -1.159  10.313  -3.732
  535   HH11  ARG  63          1HH1      ARG  63  -0.611   8.221  -6.473
  536   HH12  ARG  63          2HH1      ARG  63  -1.291   9.330  -7.613
  537   HH21  ARG  63          1HH2      ARG  63  -2.054  11.772  -5.232
  538   HH22  ARG  63          2HH2      ARG  63  -2.111  11.346  -6.910
  539    HA   PRO  64           HA       PRO  64  -5.968   8.257  -0.163
  540    HB2  PRO  64           2HB      PRO  64  -6.783   5.389  -0.505
  541    HB3  PRO  64           1HB      PRO  64  -7.701   6.861  -0.849
  542    HG2  PRO  64           2HG      PRO  64  -6.503   5.512  -2.808
  543    HG3  PRO  64           1HG      PRO  64  -6.543   7.285  -2.808
  544    HD2  PRO  64           2HD      PRO  64  -4.279   5.454  -2.301
  545    HD3  PRO  64           1HD      PRO  64  -4.271   7.131  -2.875
  546    H    LEU  65           H        LEU  65  -5.164   4.924   0.875
  547    HA   LEU  65           HA       LEU  65  -6.334   5.210   3.433
  548    HB2  LEU  65           2HB      LEU  65  -5.550   3.074   3.903
  549    HB3  LEU  65           1HB      LEU  65  -5.767   3.060   2.164
  550    HG   LEU  65           HG       LEU  65  -3.126   3.830   2.455
  551   HD11  LEU  65          1HD1      LEU  65  -2.121   2.800   4.187
  552   HD12  LEU  65          2HD1      LEU  65  -3.240   1.437   4.168
  553   HD13  LEU  65          3HD1      LEU  65  -3.712   2.956   4.929
  554   HD21  LEU  65          3HD2      LEU  65  -4.142   1.015   2.109
  555   HD22  LEU  65          1HD2      LEU  65  -2.616   1.679   1.529
  556   HD23  LEU  65          2HD2      LEU  65  -4.138   2.235   0.836
  557    H    ILE  66           H        ILE  66  -3.181   5.930   2.162
  558    HA   ILE  66           HA       ILE  66  -1.906   6.211   4.712
  559    HB   ILE  66           HB       ILE  66  -1.126   6.399   1.908
  560   HG12  ILE  66          2HG1      ILE  66   0.770   6.030   4.190
  561   HG13  ILE  66          1HG1      ILE  66  -0.455   4.801   3.894
  562   HG21  ILE  66          1HG2      ILE  66   0.023   8.399   3.837
  563   HG22  ILE  66          2HG2      ILE  66  -0.717   8.705   2.264
  564   HG23  ILE  66          3HG2      ILE  66   0.843   7.890   2.361
  565   HD11  ILE  66          3HD1      ILE  66   0.699   5.345   1.404
  566   HD12  ILE  66          1HD1      ILE  66   0.901   3.903   2.400
  567   HD13  ILE  66          2HD1      ILE  66   2.033   5.247   2.556
  568    HA   PRO  67           HA       PRO  67  -3.369  10.181   5.986
  569    HB2  PRO  67           2HB      PRO  67  -0.871  11.112   6.919
  570    HB3  PRO  67           1HB      PRO  67  -2.129  10.317   7.866
  571    HG2  PRO  67           2HG      PRO  67   0.345   9.192   6.683
  572    HG3  PRO  67           1HG      PRO  67  -0.525   8.707   8.146
  573    HD2  PRO  67           2HD      PRO  67  -0.612   7.248   5.888
  574    HD3  PRO  67           1HD      PRO  67  -2.011   7.380   6.974
  575    H    LEU  68           H        LEU  68  -3.192  12.400   5.488
  576    HA   LEU  68           HA       LEU  68  -2.666  13.042   2.868
  577    HB2  LEU  68           2HB      LEU  68  -2.226  15.433   4.308
  578    HB3  LEU  68           1HB      LEU  68  -3.674  14.921   3.469
  579    HG   LEU  68           HG       LEU  68  -4.397  13.772   5.588
  580   HD11  LEU  68          1HD1      LEU  68  -3.328  14.355   7.661
  581   HD12  LEU  68          2HD1      LEU  68  -2.165  15.379   6.822
  582   HD13  LEU  68          3HD1      LEU  68  -2.130  13.632   6.591
  583   HD21  LEU  68          3HD2      LEU  68  -5.546  15.719   5.281
  584   HD22  LEU  68          1HD2      LEU  68  -4.086  16.706   5.244
  585   HD23  LEU  68          2HD2      LEU  68  -4.701  16.102   6.782
  586    H    LYS  69           H        LYS  69  -0.674  14.385   5.505
  587    HA   LYS  69           HA       LYS  69   1.418  15.348   4.081
  588    HB2  LYS  69           2HB      LYS  69   2.854  14.845   6.081
  589    HB3  LYS  69           1HB      LYS  69   1.351  15.685   6.440
  590    HG2  LYS  69           2HG      LYS  69   0.548  13.133   6.746
  591    HG3  LYS  69           1HG      LYS  69   2.247  12.991   7.210
  592    HD2  LYS  69           2HD      LYS  69   1.967  14.761   8.854
  593    HD3  LYS  69           1HD      LYS  69   0.286  14.976   8.361
  594    HE2  LYS  69           2HE      LYS  69   0.379  12.303   8.910
  595    HE3  LYS  69           1HE      LYS  69   1.500  12.957  10.103
  596    HZ1  LYS  69           3HZ      LYS  69  -1.100  14.267   9.754
  597    HZ2  LYS  69           1HZ      LYS  69  -0.142  14.128  11.142
  598    HZ3  LYS  69           2HZ      LYS  69  -1.044  12.803  10.600
  599    H    HIS  70           H        HIS  70   1.088  11.994   5.197
  600    HA   HIS  70           HA       HIS  70   3.535  11.082   4.123
  601    HB2  HIS  70           2HB      HIS  70   1.000   9.697   4.956
  602    HB3  HIS  70           1HB      HIS  70   2.336   8.800   4.241
  603    HD1  HIS  70           1HD      HIS  70   2.408   7.563   6.614
  604    HD2  HIS  70           2HD      HIS  70   3.504  11.571   6.614
  605    HE1  HIS  70           1HE      HIS  70   3.613   7.929   8.789
  606    HE2  HIS  70           2HE      HIS  70   4.346  10.339   8.727
  607    H    GLN  71           H        GLN  71   0.279  11.329   2.811
  608    HA   GLN  71           HA       GLN  71   0.639   9.831   0.475
  609    HB2  GLN  71           2HB      GLN  71  -1.302  11.737   1.507
  610    HB3  GLN  71           1HB      GLN  71  -1.093  11.895  -0.231
  611    HG2  GLN  71           2HG      GLN  71  -1.313   9.240  -0.072
  612    HG3  GLN  71           1HG      GLN  71  -2.250   9.690   1.352
  613   HE21  GLN  71          1HE2      GLN  71  -4.318   9.589   0.858
  614   HE22  GLN  71          2HE2      GLN  71  -5.055  10.213  -0.574
  615    H    VAL  72           H        VAL  72   1.148  13.271   1.106
  616    HA   VAL  72           HA       VAL  72   1.877  14.048  -1.478
  617    HB   VAL  72           HB       VAL  72   2.951  15.215   1.093
  618   HG11  VAL  72          1HG1      VAL  72   4.117  15.987  -0.896
  619   HG12  VAL  72          2HG1      VAL  72   3.132  17.281  -0.215
  620   HG13  VAL  72          3HG1      VAL  72   2.581  16.415  -1.651
  621   HG21  VAL  72          3HG2      VAL  72   0.688  16.556  -0.185
  622   HG22  VAL  72          1HG2      VAL  72   0.983  16.199   1.516
  623   HG23  VAL  72          2HG2      VAL  72   0.301  14.961   0.462
  624    H    GLU  73           H        GLU  73   4.001  13.234   1.279
  625    HA   GLU  73           HA       GLU  73   6.398  13.337  -0.187
  626    HB2  GLU  73           2HB      GLU  73   5.938  13.188   2.403
  627    HB3  GLU  73           1HB      GLU  73   6.095  11.460   2.124
  628    HG2  GLU  73           2HG      GLU  73   8.298  12.262   0.876
  629    HG3  GLU  73           1HG      GLU  73   8.136  13.597   2.015
  630    H    TYR  74           H        TYR  74   4.112  10.721   0.390
  631    HA   TYR  74           HA       TYR  74   5.600   8.572  -0.561
  632    HB2  TYR  74           2HB      TYR  74   3.266   8.548   0.490
  633    HB3  TYR  74           1HB      TYR  74   2.655   8.928  -1.116
  634    HD1  TYR  74           1HD      TYR  74   4.809   6.447   0.652
  635    HD2  TYR  74           2HD      TYR  74   2.124   7.193  -2.561
  636    HE1  TYR  74           1HE      TYR  74   4.819   4.052   0.097
  637    HE2  TYR  74           2HE      TYR  74   2.125   4.801  -3.125
  638    HH   TYR  74           HH       TYR  74   2.781   2.497  -1.373
  639    H    ASP  75           H        ASP  75   3.736  11.012  -2.266
  640    HA   ASP  75           HA       ASP  75   4.107   9.882  -4.862
  641    HB2  ASP  75           2HB      ASP  75   2.439  11.785  -3.843
  642    HB3  ASP  75           1HB      ASP  75   3.616  12.785  -4.689
  643    H    GLN  76           H        GLN  76   5.846  12.168  -2.849
  644    HA   GLN  76           HA       GLN  76   7.517  13.243  -4.858
  645    HB2  GLN  76           2HB      GLN  76   7.428  13.231  -1.915
  646    HB3  GLN  76           1HB      GLN  76   9.037  13.419  -2.597
  647    HG2  GLN  76           2HG      GLN  76   7.603  15.179  -4.093
  648    HG3  GLN  76           1HG      GLN  76   6.783  15.281  -2.536
  649   HE21  GLN  76          1HE2      GLN  76   7.601  16.634  -1.109
  650   HE22  GLN  76          2HE2      GLN  76   9.207  17.269  -1.113
  651    H    LEU  77           H        LEU  77   7.642  10.299  -2.993
  652    HA   LEU  77           HA       LEU  77  10.346   9.714  -3.903
  653    HB2  LEU  77           2HB      LEU  77   8.545   8.021  -2.180
  654    HB3  LEU  77           1HB      LEU  77  10.270   7.819  -2.419
  655    HG   LEU  77           HG       LEU  77   9.338  10.405  -1.283
  656   HD11  LEU  77          1HD1      LEU  77   9.112   7.759   0.071
  657   HD12  LEU  77          2HD1      LEU  77   8.052   9.166   0.161
  658   HD13  LEU  77          3HD1      LEU  77   9.601   9.172   1.005
  659   HD21  LEU  77          3HD2      LEU  77  11.461  10.564  -0.531
  660   HD22  LEU  77          1HD2      LEU  77  11.770   9.403  -1.821
  661   HD23  LEU  77          2HD2      LEU  77  11.576   8.844  -0.160
  662    H    THR  78           H        THR  78   7.051   8.515  -4.264
  663    HA   THR  78           HA       THR  78   7.783   6.309  -5.926
  664    HB   THR  78           HB       THR  78   5.327   6.171  -6.376
  665    HG1  THR  78           1HG      THR  78   4.989   8.480  -6.122
  666   HG21  THR  78          3HG2      THR  78   6.046   6.469  -3.471
  667   HG22  THR  78          1HG2      THR  78   6.211   5.006  -4.441
  668   HG23  THR  78          2HG2      THR  78   4.611   5.663  -4.106
  669    HA   PRO  79           HA       PRO  79   8.157   8.079  -9.934
  670    HB2  PRO  79           2HB      PRO  79   6.570   6.363 -11.420
  671    HB3  PRO  79           1HB      PRO  79   8.244   6.047 -10.957
  672    HG2  PRO  79           2HG      PRO  79   5.711   5.091  -9.692
  673    HG3  PRO  79           1HG      PRO  79   7.230   4.216  -9.964
  674    HD2  PRO  79           2HD      PRO  79   6.587   5.175  -7.547
  675    HD3  PRO  79           1HD      PRO  79   8.265   5.193  -8.130
  676    H    ARG  80           H        ARG  80   6.355   8.144 -12.023
  677    HA   ARG  80           HA       ARG  80   4.606   9.307 -12.883
  678    HB2  ARG  80           2HB      ARG  80   3.448   8.725 -10.158
  679    HB3  ARG  80           1HB      ARG  80   2.555   9.566 -11.416
  680    HG2  ARG  80           2HG      ARG  80   3.493   7.311 -12.695
  681    HG3  ARG  80           1HG      ARG  80   3.081   6.733 -11.080
  682    HD2  ARG  80           2HD      ARG  80   1.156   6.519 -12.511
  683    HD3  ARG  80           1HD      ARG  80   0.853   7.780 -11.317
  684    HE   ARG  80           HE       ARG  80   0.749   9.319 -13.011
  685   HH11  ARG  80          1HH1      ARG  80   2.144   6.367 -14.241
  686   HH12  ARG  80          2HH1      ARG  80   2.098   6.887 -15.893
  687   HH21  ARG  80          1HH2      ARG  80   0.689  10.006 -15.183
  688   HH22  ARG  80          2HH2      ARG  80   1.273   8.952 -16.427
  Start of MODEL    8
    1    H1   MET   1           1HT      MET   1 -17.526   8.312   8.374
    2    H2   MET   1           2HT      MET   1 -15.962   8.882   8.796
    3    H3   MET   1           3HT      MET   1 -16.447   7.294   9.234
    4    HA   MET   1           HA       MET   1 -16.390   6.543   7.079
    5    HB2  MET   1           2HB      MET   1 -16.466   9.475   6.471
    6    HB3  MET   1           1HB      MET   1 -15.775   8.373   5.286
    7    HG2  MET   1           2HG      MET   1 -17.834   8.094   4.523
    8    HG3  MET   1           1HG      MET   1 -18.150   7.160   5.983
    9    HE1  MET   1           2HE      MET   1 -19.454  10.509   4.068
   10    HE2  MET   1           3HE      MET   1 -20.958   9.874   4.732
   11    HE3  MET   1           1HE      MET   1 -19.831   8.793   3.915
   12    H    ASP   2           H        ASP   2 -14.518   6.355   8.928
   13    HA   ASP   2           HA       ASP   2 -12.021   7.437   7.849
   14    HB2  ASP   2           2HB      ASP   2 -11.018   6.573   9.964
   15    HB3  ASP   2           1HB      ASP   2 -12.303   7.747  10.228
   16    H    ARG   3           H        ARG   3 -13.394   5.392   6.394
   17    HA   ARG   3           HA       ARG   3 -11.267   3.654   5.833
   18    HB2  ARG   3           2HB      ARG   3 -12.444   2.823   8.113
   19    HB3  ARG   3           1HB      ARG   3 -13.451   1.986   6.940
   20    HG2  ARG   3           2HG      ARG   3 -10.994   1.410   5.979
   21    HG3  ARG   3           1HG      ARG   3 -10.654   1.523   7.707
   22    HD2  ARG   3           2HD      ARG   3 -11.683  -0.411   8.127
   23    HD3  ARG   3           1HD      ARG   3 -13.088   0.038   7.163
   24    HE   ARG   3           HE       ARG   3 -10.803  -0.723   5.595
   25   HH11  ARG   3          1HH1      ARG   3 -13.626  -1.881   7.289
   26   HH12  ARG   3          2HH1      ARG   3 -13.747  -3.332   6.351
   27   HH21  ARG   3          1HH2      ARG   3 -10.961  -2.630   4.361
   28   HH22  ARG   3          2HH2      ARG   3 -12.234  -3.758   4.688
   29    H    LYS   4           H        LYS   4 -11.910   4.477   3.782
   30    HA   LYS   4           HA       LYS   4 -14.290   3.134   2.677
   31    HB2  LYS   4           2HB      LYS   4 -14.235   5.741   2.887
   32    HB3  LYS   4           1HB      LYS   4 -13.187   5.649   1.479
   33    HG2  LYS   4           2HG      LYS   4 -15.946   4.457   1.619
   34    HG3  LYS   4           1HG      LYS   4 -15.572   6.042   0.940
   35    HD2  LYS   4           2HD      LYS   4 -15.345   4.937  -0.999
   36    HD3  LYS   4           1HD      LYS   4 -13.780   4.440  -0.354
   37    HE2  LYS   4           2HE      LYS   4 -14.502   2.348  -0.679
   38    HE3  LYS   4           1HE      LYS   4 -15.488   2.609   0.760
   39    HZ1  LYS   4           3HZ      LYS   4 -16.283   2.424  -2.016
   40    HZ2  LYS   4           1HZ      LYS   4 -17.037   3.667  -1.147
   41    HZ3  LYS   4           2HZ      LYS   4 -17.156   2.067  -0.613
   42    H    VAL   5           H        VAL   5 -11.233   4.655   1.630
   43    HA   VAL   5           HA       VAL   5 -11.055   3.167  -0.769
   44    HB   VAL   5           HB       VAL   5  -8.672   4.332   0.652
   45   HG11  VAL   5          1HG1      VAL   5  -8.543   4.907  -2.043
   46   HG12  VAL   5          2HG1      VAL   5  -9.253   3.292  -2.000
   47   HG13  VAL   5          3HG1      VAL   5  -7.701   3.596  -1.216
   48   HG21  VAL   5          3HG2      VAL   5  -9.577   6.286  -1.086
   49   HG22  VAL   5          1HG2      VAL   5  -9.693   6.318   0.674
   50   HG23  VAL   5          2HG2      VAL   5 -11.045   5.721  -0.289
   51    H    ALA   6           H        ALA   6 -10.134   2.484   2.508
   52    HA   ALA   6           HA       ALA   6  -8.148   0.581   2.168
   53    HB1  ALA   6           1HB      ALA   6  -8.936  -0.364   4.329
   54    HB2  ALA   6           2HB      ALA   6 -10.334   0.708   4.237
   55    HB3  ALA   6           3HB      ALA   6  -8.709   1.385   4.358
   56    H    ARG   7           H        ARG   7 -11.659   0.156   2.140
   57    HA   ARG   7           HA       ARG   7 -11.657  -2.637   1.788
   58    HB2  ARG   7           2HB      ARG   7 -13.591  -0.863   2.300
   59    HB3  ARG   7           1HB      ARG   7 -13.839  -1.027   0.566
   60    HG2  ARG   7           2HG      ARG   7 -14.289  -3.344   0.757
   61    HG3  ARG   7           1HG      ARG   7 -13.731  -3.382   2.431
   62    HD2  ARG   7           2HD      ARG   7 -15.813  -3.000   3.098
   63    HD3  ARG   7           1HD      ARG   7 -15.755  -1.428   2.301
   64    HE   ARG   7           HE       ARG   7 -17.079  -2.263   0.633
   65   HH11  ARG   7          1HH1      ARG   7 -15.781  -4.927   2.478
   66   HH12  ARG   7          2HH1      ARG   7 -16.759  -6.116   1.686
   67   HH21  ARG   7          1HH2      ARG   7 -18.366  -3.825  -0.408
   68   HH22  ARG   7          2HH2      ARG   7 -18.227  -5.491   0.047
   69    H    GLU   8           H        GLU   8 -11.832   0.029  -0.524
   70    HA   GLU   8           HA       GLU   8 -12.037  -1.539  -2.850
   71    HB2  GLU   8           2HB      GLU   8 -11.856   1.216  -2.215
   72    HB3  GLU   8           1HB      GLU   8 -10.584   0.881  -3.381
   73    HG2  GLU   8           2HG      GLU   8 -12.521  -0.361  -4.647
   74    HG3  GLU   8           1HG      GLU   8 -13.534   0.716  -3.688
   75    H    PHE   9           H        PHE   9  -9.290  -0.426  -0.970
   76    HA   PHE   9           HA       PHE   9  -7.240  -1.027  -2.783
   77    HB2  PHE   9           2HB      PHE   9  -6.862   0.292  -0.754
   78    HB3  PHE   9           1HB      PHE   9  -7.198  -1.119   0.243
   79    HD1  PHE   9           1HD      PHE   9  -5.031  -0.388  -2.711
   80    HD2  PHE   9           2HD      PHE   9  -5.331  -2.013   1.210
   81    HE1  PHE   9           1HE      PHE   9  -2.649  -1.001  -2.787
   82    HE2  PHE   9           2HE      PHE   9  -2.950  -2.628   1.141
   83    HZ   PHE   9           HZ       PHE   9  -1.606  -2.122  -0.858
   84    H    ARG  10           H        ARG  10  -8.657  -2.999  -0.182
   85    HA   ARG  10           HA       ARG  10  -7.096  -5.286  -0.555
   86    HB2  ARG  10           2HB      ARG  10  -9.104  -4.562   1.157
   87    HB3  ARG  10           1HB      ARG  10  -9.903  -5.785   0.178
   88    HG2  ARG  10           2HG      ARG  10  -7.210  -6.394   1.281
   89    HG3  ARG  10           1HG      ARG  10  -8.599  -6.417   2.369
   90    HD2  ARG  10           2HD      ARG  10  -9.716  -8.040   0.964
   91    HD3  ARG  10           1HD      ARG  10  -8.411  -7.956  -0.219
   92    HE   ARG  10           HE       ARG  10  -8.459  -9.513   2.159
   93   HH11  ARG  10          1HH1      ARG  10  -6.327  -7.709   0.066
   94   HH12  ARG  10          2HH1      ARG  10  -4.926  -8.632   0.488
   95   HH21  ARG  10          1HH2      ARG  10  -6.615 -10.728   2.717
   96   HH22  ARG  10          2HH2      ARG  10  -5.089 -10.348   1.993
   97    H    HIS  11           H        HIS  11 -10.203  -4.372  -2.007
   98    HA   HIS  11           HA       HIS  11 -10.531  -6.737  -3.522
   99    HB2  HIS  11           2HB      HIS  11 -11.897  -4.213  -3.203
  100    HB3  HIS  11           1HB      HIS  11 -11.815  -4.650  -4.907
  101    HD1  HIS  11           1HD      HIS  11 -12.667  -7.240  -5.375
  102    HD2  HIS  11           2HD      HIS  11 -13.963  -5.370  -1.898
  103    HE1  HIS  11           1HE      HIS  11 -14.686  -8.538  -4.626
  104    HE2  HIS  11           2HE      HIS  11 -15.384  -7.457  -2.461
  105    H    LYS  12           H        LYS  12  -8.946  -3.664  -4.168
  106    HA   LYS  12           HA       LYS  12  -8.506  -4.035  -6.927
  107    HB2  LYS  12           2HB      LYS  12  -7.946  -2.060  -5.026
  108    HB3  LYS  12           1HB      LYS  12  -6.374  -2.548  -5.642
  109    HG2  LYS  12           2HG      LYS  12  -8.547  -2.002  -7.594
  110    HG3  LYS  12           1HG      LYS  12  -7.772  -0.637  -6.785
  111    HD2  LYS  12           2HD      LYS  12  -5.574  -1.497  -7.526
  112    HD3  LYS  12           1HD      LYS  12  -6.404  -2.782  -8.408
  113    HE2  LYS  12           2HE      LYS  12  -6.158  -1.269 -10.095
  114    HE3  LYS  12           1HE      LYS  12  -7.708  -0.731  -9.448
  115    HZ1  LYS  12           3HZ      LYS  12  -5.089   0.549  -9.306
  116    HZ2  LYS  12           1HZ      LYS  12  -6.101   0.722  -7.961
  117    HZ3  LYS  12           2HZ      LYS  12  -6.622   1.240  -9.485
  118    H    VAL  13           H        VAL  13  -6.307  -4.539  -4.164
  119    HA   VAL  13           HA       VAL  13  -4.134  -5.560  -5.535
  120    HB   VAL  13           HB       VAL  13  -5.054  -6.500  -2.817
  121   HG11  VAL  13          1HG1      VAL  13  -2.460  -6.608  -4.302
  122   HG12  VAL  13          2HG1      VAL  13  -3.290  -7.879  -3.403
  123   HG13  VAL  13          3HG1      VAL  13  -2.478  -6.574  -2.538
  124   HG21  VAL  13          3HG2      VAL  13  -4.145  -3.895  -3.719
  125   HG22  VAL  13          1HG2      VAL  13  -3.115  -4.559  -2.450
  126   HG23  VAL  13          2HG2      VAL  13  -4.848  -4.374  -2.174
  127    H    ASP  14           H        ASP  14  -6.896  -7.346  -4.175
  128    HA   ASP  14           HA       ASP  14  -6.052  -9.916  -4.884
  129    HB2  ASP  14           2HB      ASP  14  -8.023  -9.195  -3.386
  130    HB3  ASP  14           1HB      ASP  14  -8.947  -9.084  -4.881
  131    H    PHE  15           H        PHE  15  -7.806  -7.468  -6.709
  132    HA   PHE  15           HA       PHE  15  -8.449  -9.123  -8.922
  133    HB2  PHE  15           2HB      PHE  15  -9.134  -6.584  -8.120
  134    HB3  PHE  15           1HB      PHE  15  -8.104  -6.270  -9.512
  135    HD1  PHE  15           2HD      PHE  15  -8.652  -8.090 -11.505
  136    HD2  PHE  15           1HD      PHE  15 -11.368  -6.590  -8.590
  137    HE1  PHE  15           2HE      PHE  15 -10.534  -8.586 -13.010
  138    HE2  PHE  15           1HE      PHE  15 -13.255  -7.084 -10.091
  139    HZ   PHE  15           HZ       PHE  15 -12.840  -8.083 -12.303
  140    H    LEU  16           H        LEU  16  -5.761  -6.930  -8.228
  141    HA   LEU  16           HA       LEU  16  -4.533  -7.405 -10.796
  142    HB2  LEU  16           2HB      LEU  16  -3.195  -6.097  -8.452
  143    HB3  LEU  16           1HB      LEU  16  -2.894  -5.846 -10.160
  144    HG   LEU  16           HG       LEU  16  -5.583  -5.122  -9.110
  145   HD11  LEU  16          1HD1      LEU  16  -4.614  -3.914  -7.468
  146   HD12  LEU  16          2HD1      LEU  16  -4.319  -2.780  -8.785
  147   HD13  LEU  16          3HD1      LEU  16  -3.042  -3.880  -8.267
  148   HD21  LEU  16          3HD2      LEU  16  -3.730  -3.814 -11.097
  149   HD22  LEU  16          1HD2      LEU  16  -5.418  -3.399 -10.795
  150   HD23  LEU  16          2HD2      LEU  16  -5.008  -4.961 -11.504
  151    H    ILE  17           H        ILE  17  -3.262  -7.797  -7.503
  152    HA   ILE  17           HA       ILE  17  -1.312  -9.704  -8.341
  153    HB   ILE  17           HB       ILE  17  -2.181  -9.181  -5.505
  154   HG12  ILE  17          2HG1      ILE  17  -0.140  -7.686  -7.168
  155   HG13  ILE  17          1HG1      ILE  17  -1.674  -7.042  -6.592
  156   HG21  ILE  17          1HG2      ILE  17  -0.605 -11.122  -6.244
  157   HG22  ILE  17          2HG2      ILE  17  -0.195 -10.139  -4.839
  158   HG23  ILE  17          3HG2      ILE  17   0.593  -9.837  -6.386
  159   HD11  ILE  17          3HD1      ILE  17  -0.476  -7.903  -4.284
  160   HD12  ILE  17          1HD1      ILE  17  -0.498  -6.246  -4.883
  161   HD13  ILE  17          2HD1      ILE  17   0.880  -7.291  -5.231
  162    H    GLU  18           H        GLU  18  -3.924 -10.047  -5.960
  163    HA   GLU  18           HA       GLU  18  -5.412 -11.738  -5.576
  164    HB2  GLU  18           2HB      GLU  18  -5.128 -11.961  -8.224
  165    HB3  GLU  18           1HB      GLU  18  -4.376 -13.479  -7.752
  166    HG2  GLU  18           2HG      GLU  18  -6.447 -13.980  -6.429
  167    HG3  GLU  18           1HG      GLU  18  -7.180 -12.563  -7.180
  168    H    ASN  19           H        ASN  19  -2.165 -11.873  -5.299
  169    HA   ASN  19           HA       ASN  19  -2.035 -14.635  -4.372
  170    HB2  ASN  19           2HB      ASN  19  -0.225 -13.500  -5.815
  171    HB3  ASN  19           1HB      ASN  19   0.243 -12.666  -4.336
  172   HD21  ASN  19          1HD2      ASN  19   0.146 -15.685  -6.020
  173   HD22  ASN  19          2HD2      ASN  19   1.162 -16.563  -4.934
  174    H    ASP  20           H        ASP  20  -2.505 -15.070  -2.329
  175    HA   ASP  20           HA       ASP  20  -2.967 -13.157  -0.345
  176    HB2  ASP  20           2HB      ASP  20  -3.016 -15.055   1.226
  177    HB3  ASP  20           1HB      ASP  20  -3.925 -15.401  -0.241
  178    H    ALA  21           H        ALA  21  -0.067 -14.931  -1.203
  179    HA   ALA  21           HA       ALA  21   1.447 -14.358   1.100
  180    HB1  ALA  21           1HB      ALA  21   2.721 -14.636  -1.587
  181    HB2  ALA  21           2HB      ALA  21   1.909 -16.014  -0.843
  182    HB3  ALA  21           3HB      ALA  21   3.265 -15.239  -0.022
  183    H    GLU  22           H        GLU  22   1.551 -12.815  -2.097
  184    HA   GLU  22           HA       GLU  22   3.274 -10.728  -1.412
  185    HB2  GLU  22           2HB      GLU  22   1.170 -11.018  -3.542
  186    HB3  GLU  22           1HB      GLU  22   2.100  -9.536  -3.377
  187    HG2  GLU  22           2HG      GLU  22   2.997 -11.089  -5.074
  188    HG3  GLU  22           1HG      GLU  22   4.147 -10.694  -3.799
  189    H    LYS  23           H        LYS  23  -0.203 -11.054  -1.095
  190    HA   LYS  23           HA       LYS  23  -0.737  -8.349  -0.423
  191    HB2  LYS  23           2HB      LYS  23  -2.225 -10.931  -0.186
  192    HB3  LYS  23           1HB      LYS  23  -2.821  -9.527   0.686
  193    HG2  LYS  23           2HG      LYS  23  -2.990  -8.279  -1.390
  194    HG3  LYS  23           1HG      LYS  23  -2.340  -9.656  -2.283
  195    HD2  LYS  23           2HD      LYS  23  -4.647 -10.308  -0.602
  196    HD3  LYS  23           1HD      LYS  23  -4.998  -9.143  -1.880
  197    HE2  LYS  23           2HE      LYS  23  -4.862 -10.702  -3.474
  198    HE3  LYS  23           1HE      LYS  23  -3.366 -11.361  -2.813
  199    HZ1  LYS  23           3HZ      LYS  23  -6.132 -12.163  -2.316
  200    HZ2  LYS  23           1HZ      LYS  23  -5.043 -12.290  -1.025
  201    HZ3  LYS  23           2HZ      LYS  23  -4.742 -13.114  -2.470
  202    H    ASP  24           H        ASP  24  -0.166 -11.267   1.519
  203    HA   ASP  24           HA       ASP  24  -0.571 -10.112   4.039
  204    HB2  ASP  24           2HB      ASP  24  -0.024 -12.622   3.180
  205    HB3  ASP  24           1HB      ASP  24   1.546 -12.173   3.840
  206    H    TYR  25           H        TYR  25   2.166 -10.059   1.874
  207    HA   TYR  25           HA       TYR  25   4.076  -9.116   3.755
  208    HB2  TYR  25           2HB      TYR  25   4.075  -9.892   1.041
  209    HB3  TYR  25           1HB      TYR  25   4.668  -8.235   1.077
  210    HD1  TYR  25           1HD      TYR  25   5.123 -11.094   3.440
  211    HD2  TYR  25           2HD      TYR  25   6.967  -8.282   0.833
  212    HE1  TYR  25           1HE      TYR  25   7.334 -11.908   4.139
  213    HE2  TYR  25           2HE      TYR  25   9.185  -9.090   1.524
  214    HH   TYR  25           HH       TYR  25   9.736 -10.882   4.209
  215    H    LEU  26           H        LEU  26   2.167  -7.463   1.236
  216    HA   LEU  26           HA       LEU  26   3.063  -4.870   1.937
  217    HB2  LEU  26           2HB      LEU  26   1.627  -4.069   0.319
  218    HB3  LEU  26           1HB      LEU  26   1.936  -5.701  -0.239
  219    HG   LEU  26           HG       LEU  26  -0.274  -6.236   1.098
  220   HD11  LEU  26          1HD1      LEU  26  -1.025  -4.337   2.067
  221   HD12  LEU  26          2HD1      LEU  26  -1.745  -4.087   0.477
  222   HD13  LEU  26          3HD1      LEU  26  -0.226  -3.292   0.892
  223   HD21  LEU  26          3HD2      LEU  26  -0.075  -6.660  -1.236
  224   HD22  LEU  26          1HD2      LEU  26  -0.101  -4.937  -1.613
  225   HD23  LEU  26          2HD2      LEU  26  -1.552  -5.727  -0.997
  226    H    TYR  27           H        TYR  27   0.445  -6.894   3.069
  227    HA   TYR  27           HA       TYR  27  -1.020  -4.868   4.407
  228    HB2  TYR  27           2HB      TYR  27  -1.192  -7.710   4.069
  229    HB3  TYR  27           1HB      TYR  27  -1.371  -7.330   5.778
  230    HD1  TYR  27           1HD      TYR  27  -2.770  -6.727   2.414
  231    HD2  TYR  27           2HD      TYR  27  -3.340  -6.278   6.605
  232    HE1  TYR  27           1HE      TYR  27  -5.113  -6.099   2.021
  233    HE2  TYR  27           2HE      TYR  27  -5.686  -5.649   6.224
  234    HH   TYR  27           HH       TYR  27  -7.103  -4.782   4.491
  235    H    ASP  28           H        ASP  28   1.608  -7.003   5.364
  236    HA   ASP  28           HA       ASP  28   1.593  -6.313   8.116
  237    HB2  ASP  28           2HB      ASP  28   2.707  -8.337   6.974
  238    HB3  ASP  28           1HB      ASP  28   4.032  -7.236   6.607
  239    H    VAL  29           H        VAL  29   3.321  -5.074   5.296
  240    HA   VAL  29           HA       VAL  29   5.078  -3.342   6.622
  241    HB   VAL  29           HB       VAL  29   3.837  -2.872   3.909
  242   HG11  VAL  29          1HG1      VAL  29   5.410  -1.187   5.316
  243   HG12  VAL  29          2HG1      VAL  29   5.384  -1.272   3.555
  244   HG13  VAL  29          3HG1      VAL  29   6.631  -2.129   4.460
  245   HG21  VAL  29          3HG2      VAL  29   5.198  -5.128   4.635
  246   HG22  VAL  29          1HG2      VAL  29   6.492  -4.099   4.020
  247   HG23  VAL  29          2HG2      VAL  29   5.106  -4.481   2.998
  248    H    LEU  30           H        LEU  30   1.805  -2.799   5.358
  249    HA   LEU  30           HA       LEU  30   1.645  -0.064   6.003
  250    HB2  LEU  30           2HB      LEU  30  -0.319  -2.219   5.395
  251    HB3  LEU  30           1HB      LEU  30  -0.923  -0.737   6.111
  252    HG   LEU  30           HG       LEU  30   0.664  -0.886   3.546
  253   HD11  LEU  30          1HD1      LEU  30  -1.647  -1.899   3.499
  254   HD12  LEU  30          2HD1      LEU  30  -1.359  -0.574   2.371
  255   HD13  LEU  30          3HD1      LEU  30  -2.265  -0.287   3.857
  256   HD21  LEU  30          3HD2      LEU  30  -0.385   1.483   3.382
  257   HD22  LEU  30          1HD2      LEU  30   1.060   1.240   4.363
  258   HD23  LEU  30          2HD2      LEU  30  -0.521   1.351   5.134
  259    H    ARG  31           H        ARG  31   0.584  -2.953   7.787
  260    HA   ARG  31           HA       ARG  31  -0.551  -1.686   9.986
  261    HB2  ARG  31           2HB      ARG  31  -0.275  -4.254   9.272
  262    HB3  ARG  31           1HB      ARG  31   1.001  -4.172  10.478
  263    HG2  ARG  31           2HG      ARG  31  -0.588  -4.621  11.966
  264    HG3  ARG  31           1HG      ARG  31  -1.101  -2.947  11.746
  265    HD2  ARG  31           2HD      ARG  31  -2.270  -4.319   9.629
  266    HD3  ARG  31           1HD      ARG  31  -2.438  -5.407  11.006
  267    HE   ARG  31           HE       ARG  31  -3.250  -3.024  11.995
  268   HH11  ARG  31          1HH1      ARG  31  -4.149  -4.877   9.179
  269   HH12  ARG  31          2HH1      ARG  31  -5.777  -4.288   9.156
  270   HH21  ARG  31          1HH2      ARG  31  -5.393  -2.247  11.967
  271   HH22  ARG  31          2HH2      ARG  31  -6.482  -2.794  10.738
  272    H    MET  32           H        MET  32   2.807  -2.468   9.298
  273    HA   MET  32           HA       MET  32   3.741  -1.596  11.880
  274    HB2  MET  32           2HB      MET  32   5.088  -2.484   9.344
  275    HB3  MET  32           1HB      MET  32   6.017  -1.773  10.657
  276    HG2  MET  32           2HG      MET  32   4.640  -3.619  12.028
  277    HG3  MET  32           1HG      MET  32   4.725  -4.412  10.456
  278    HE1  MET  32           3HE      MET  32   6.742  -2.280  12.861
  279    HE2  MET  32           1HE      MET  32   8.284  -3.117  13.039
  280    HE3  MET  32           2HE      MET  32   6.832  -3.774  13.793
  281    H    TYR  33           H        TYR  33   3.357  -0.239   8.688
  282    HA   TYR  33           HA       TYR  33   5.002   2.013   8.933
  283    HB2  TYR  33           2HB      TYR  33   4.122   1.395   6.778
  284    HB3  TYR  33           1HB      TYR  33   2.467   1.581   7.347
  285    HD1  TYR  33           1HD      TYR  33   5.589   3.637   7.146
  286    HD2  TYR  33           2HD      TYR  33   1.364   3.484   6.670
  287    HE1  TYR  33           1HE      TYR  33   5.595   5.974   6.384
  288    HE2  TYR  33           2HE      TYR  33   1.360   5.821   5.905
  289    HH   TYR  33           HH       TYR  33   2.859   7.446   4.945
  290    H    HIS  34           H        HIS  34   1.728   1.390  10.025
  291    HA   HIS  34           HA       HIS  34   1.022   4.039  10.676
  292    HB2  HIS  34           2HB      HIS  34  -0.374   1.778  10.595
  293    HB3  HIS  34           1HB      HIS  34  -0.021   1.777  12.319
  294    HD1  HIS  34           1HD      HIS  34  -2.893   2.163  11.073
  295    HD2  HIS  34           2HD      HIS  34  -0.406   5.200  12.435
  296    HE1  HIS  34           1HE      HIS  34  -4.417   4.086  11.619
  297    HE2  HIS  34           2HE      HIS  34  -2.883   5.940  12.362
  298    H    GLN  35           H        GLN  35   2.317   1.416  12.707
  299    HA   GLN  35           HA       GLN  35   2.592   3.100  15.001
  300    HB2  GLN  35           2HB      GLN  35   3.386   0.301  14.313
  301    HB3  GLN  35           1HB      GLN  35   4.089   1.066  15.731
  302    HG2  GLN  35           2HG      GLN  35   1.146   1.200  15.432
  303    HG3  GLN  35           1HG      GLN  35   1.857  -0.363  15.828
  304   HE21  GLN  35          1HE2      GLN  35   3.489  -0.271  17.648
  305   HE22  GLN  35          2HE2      GLN  35   3.067   0.699  19.012
  306    H    THR  36           H        THR  36   4.922   1.602  12.784
  307    HA   THR  36           HA       THR  36   7.211   2.816  13.877
  308    HB   THR  36           HB       THR  36   8.366   2.086  11.904
  309    HG1  THR  36           1HG      THR  36   5.789   1.869  10.749
  310   HG21  THR  36          3HG2      THR  36   6.585   0.324  13.280
  311   HG22  THR  36          1HG2      THR  36   8.184   0.003  12.611
  312   HG23  THR  36          2HG2      THR  36   6.752  -0.178  11.597
  313    H    MET  37           H        MET  37   5.047   3.803  11.262
  314    HA   MET  37           HA       MET  37   4.712   5.804  10.235
  315    HB2  MET  37           2HB      MET  37   5.419   6.431  12.906
  316    HB3  MET  37           1HB      MET  37   6.266   7.576  11.875
  317    HG2  MET  37           2HG      MET  37   4.413   8.722  11.512
  318    HG3  MET  37           1HG      MET  37   3.553   7.275  10.992
  319    HE1  MET  37           3HE      MET  37   1.519   6.988  11.755
  320    HE2  MET  37           1HE      MET  37   1.162   8.613  12.338
  321    HE3  MET  37           2HE      MET  37   0.849   7.218  13.370
  322    H    ASP  38           H        ASP  38   6.836   4.209   9.348
  323    HA   ASP  38           HA       ASP  38   8.855   6.211   8.574
  324    HB2  ASP  38           2HB      ASP  38   9.034   3.220   8.892
  325    HB3  ASP  38           1HB      ASP  38  10.232   4.128   7.975
  326    H    VAL  39           H        VAL  39   8.082   7.069   6.718
  327    HA   VAL  39           HA       VAL  39   6.653   5.624   4.746
  328    HB   VAL  39           HB       VAL  39   8.179   8.196   4.335
  329   HG11  VAL  39          1HG1      VAL  39   5.897   6.880   2.884
  330   HG12  VAL  39          2HG1      VAL  39   7.480   7.327   2.249
  331   HG13  VAL  39          3HG1      VAL  39   6.314   8.580   2.675
  332   HG21  VAL  39          3HG2      VAL  39   6.264   7.839   6.241
  333   HG22  VAL  39          1HG2      VAL  39   5.299   8.358   4.857
  334   HG23  VAL  39          2HG2      VAL  39   6.620   9.371   5.443
  335    H    ALA  40           H        ALA  40  10.049   6.277   5.259
  336    HA   ALA  40           HA       ALA  40  10.994   5.621   2.687
  337    HB1  ALA  40           1HB      ALA  40  13.098   5.811   3.561
  338    HB2  ALA  40           2HB      ALA  40  12.658   5.032   5.081
  339    HB3  ALA  40           3HB      ALA  40  12.181   6.701   4.774
  340    H    VAL  41           H        VAL  41  10.426   3.658   5.575
  341    HA   VAL  41           HA       VAL  41  11.471   1.255   4.439
  342    HB   VAL  41           HB       VAL  41   9.557   1.499   6.761
  343   HG11  VAL  41          1HG1      VAL  41   9.805  -0.762   5.862
  344   HG12  VAL  41          2HG1      VAL  41  10.517  -0.627   7.469
  345   HG13  VAL  41          3HG1      VAL  41  11.555  -0.644   6.044
  346   HG21  VAL  41          3HG2      VAL  41  12.538   1.322   7.019
  347   HG22  VAL  41          1HG2      VAL  41  11.346   1.822   8.217
  348   HG23  VAL  41          2HG2      VAL  41  11.728   2.880   6.859
  349    H    LEU  42           H        LEU  42   8.283   2.709   4.693
  350    HA   LEU  42           HA       LEU  42   6.783   0.473   3.855
  351    HB2  LEU  42           2HB      LEU  42   5.831   2.475   4.959
  352    HB3  LEU  42           1HB      LEU  42   6.140   3.402   3.502
  353    HG   LEU  42           HG       LEU  42   4.650   1.496   2.404
  354   HD11  LEU  42          1HD1      LEU  42   4.538   0.591   4.922
  355   HD12  LEU  42          2HD1      LEU  42   3.234   0.372   3.757
  356   HD13  LEU  42          3HD1      LEU  42   3.148   1.676   4.939
  357   HD21  LEU  42          3HD2      LEU  42   3.894   4.015   3.813
  358   HD22  LEU  42          1HD2      LEU  42   2.635   3.006   3.103
  359   HD23  LEU  42          2HD2      LEU  42   3.922   3.654   2.088
  360    H    VAL  43           H        VAL  43   8.266   3.145   2.072
  361    HA   VAL  43           HA       VAL  43   7.225   2.436  -0.466
  362    HB   VAL  43           HB       VAL  43   9.775   3.952   0.099
  363   HG11  VAL  43          1HG1      VAL  43   9.310   5.001  -2.087
  364   HG12  VAL  43          2HG1      VAL  43   7.946   3.904  -2.297
  365   HG13  VAL  43          3HG1      VAL  43   9.586   3.263  -2.211
  366   HG21  VAL  43          3HG2      VAL  43   7.347   5.466  -0.545
  367   HG22  VAL  43          1HG2      VAL  43   8.609   5.793   0.642
  368   HG23  VAL  43          2HG2      VAL  43   7.313   4.658   1.022
  369    H    GLY  44           H        GLY  44  10.408   1.864   1.036
  370    HA2  GLY  44           2HA      GLY  44  11.545   0.431  -1.082
  371    HA3  GLY  44           1HA      GLY  44  12.020   0.289   0.604
  372    H    ASP  45           H        ASP  45   9.772  -0.772   1.756
  373    HA   ASP  45           HA       ASP  45  10.026  -3.504   1.162
  374    HB2  ASP  45           2HB      ASP  45   8.263  -1.858   2.899
  375    HB3  ASP  45           1HB      ASP  45   7.710  -3.485   2.517
  376    H    LEU  46           H        LEU  46   7.497  -1.164   0.323
  377    HA   LEU  46           HA       LEU  46   5.740  -2.944  -0.933
  378    HB2  LEU  46           2HB      LEU  46   6.188  -0.015  -0.971
  379    HB3  LEU  46           1HB      LEU  46   5.273  -0.683  -2.309
  380    HG   LEU  46           HG       LEU  46   4.550  -1.123   0.585
  381   HD11  LEU  46          1HD1      LEU  46   3.510   0.915  -1.374
  382   HD12  LEU  46          2HD1      LEU  46   4.386   1.235   0.122
  383   HD13  LEU  46          3HD1      LEU  46   2.766   0.538   0.179
  384   HD21  LEU  46          3HD2      LEU  46   2.728  -1.377  -1.773
  385   HD22  LEU  46          1HD2      LEU  46   2.600  -2.112  -0.175
  386   HD23  LEU  46          2HD2      LEU  46   3.797  -2.706  -1.325
  387    H    LYS  47           H        LYS  47   8.494  -1.121  -2.195
  388    HA   LYS  47           HA       LYS  47   8.113  -1.830  -4.911
  389    HB2  LYS  47           2HB      LYS  47   9.644  -0.005  -3.748
  390    HB3  LYS  47           1HB      LYS  47  10.846  -1.283  -3.847
  391    HG2  LYS  47           2HG      LYS  47  11.259  -0.302  -5.835
  392    HG3  LYS  47           1HG      LYS  47   9.953  -1.367  -6.357
  393    HD2  LYS  47           2HD      LYS  47   9.060   0.533  -7.171
  394    HD3  LYS  47           1HD      LYS  47   8.540   0.776  -5.504
  395    HE2  LYS  47           2HE      LYS  47  11.232   1.735  -6.378
  396    HE3  LYS  47           1HE      LYS  47   9.796   2.677  -6.773
  397    HZ1  LYS  47           3HZ      LYS  47  10.644   1.868  -4.044
  398    HZ2  LYS  47           1HZ      LYS  47   9.252   2.756  -4.414
  399    HZ3  LYS  47           2HZ      LYS  47  10.781   3.418  -4.704
  400    H    LEU  48           H        LEU  48  10.078  -3.213  -2.308
  401    HA   LEU  48           HA       LEU  48  11.482  -5.124  -3.739
  402    HB2  LEU  48           2HB      LEU  48  10.395  -5.212  -0.927
  403    HB3  LEU  48           1HB      LEU  48  11.483  -6.425  -1.578
  404    HG   LEU  48           HG       LEU  48  12.245  -3.522  -1.569
  405   HD11  LEU  48          1HD1      LEU  48  12.110  -5.402   0.711
  406   HD12  LEU  48          2HD1      LEU  48  12.002  -3.642   0.681
  407   HD13  LEU  48          3HD1      LEU  48  13.575  -4.430   0.558
  408   HD21  LEU  48          3HD2      LEU  48  13.812  -4.600  -2.825
  409   HD22  LEU  48          1HD2      LEU  48  13.587  -6.137  -1.990
  410   HD23  LEU  48          2HD2      LEU  48  14.512  -4.844  -1.225
  411    H    VAL  49           H        VAL  49   8.344  -5.530  -2.092
  412    HA   VAL  49           HA       VAL  49   7.933  -8.167  -3.060
  413    HB   VAL  49           HB       VAL  49   6.815  -6.953  -1.054
  414   HG11  VAL  49          1HG1      VAL  49   4.858  -6.238  -3.229
  415   HG12  VAL  49          2HG1      VAL  49   5.832  -5.105  -2.292
  416   HG13  VAL  49          3HG1      VAL  49   4.587  -6.066  -1.495
  417   HG21  VAL  49          3HG2      VAL  49   6.152  -9.110  -1.141
  418   HG22  VAL  49          1HG2      VAL  49   5.756  -9.030  -2.858
  419   HG23  VAL  49          2HG2      VAL  49   4.632  -8.383  -1.665
  420    H    ILE  50           H        ILE  50   6.732  -5.002  -4.048
  421    HA   ILE  50           HA       ILE  50   5.127  -5.919  -6.179
  422    HB   ILE  50           HB       ILE  50   6.343  -3.223  -5.602
  423   HG12  ILE  50          2HG1      ILE  50   3.485  -4.202  -5.463
  424   HG13  ILE  50          1HG1      ILE  50   4.571  -4.089  -4.082
  425   HG21  ILE  50          1HG2      ILE  50   4.249  -2.786  -7.353
  426   HG22  ILE  50          2HG2      ILE  50   5.103  -4.161  -8.053
  427   HG23  ILE  50          3HG2      ILE  50   5.968  -2.659  -7.726
  428   HD11  ILE  50          3HD1      ILE  50   4.548  -1.770  -4.101
  429   HD12  ILE  50          1HD1      ILE  50   2.882  -2.206  -4.480
  430   HD13  ILE  50          2HD1      ILE  50   3.972  -1.693  -5.767
  431    H    ASN  51           H        ASN  51   7.813  -3.741  -6.811
  432    HA   ASN  51           HA       ASN  51   9.250  -3.622  -8.580
  433    HB2  ASN  51           2HB      ASN  51  10.853  -5.403  -8.661
  434    HB3  ASN  51           1HB      ASN  51  10.354  -5.207  -6.985
  435   HD21  ASN  51          1HD2      ASN  51   9.105  -6.794  -6.010
  436   HD22  ASN  51          2HD2      ASN  51   8.928  -8.373  -6.689
  437    H    GLU  52           H        GLU  52   6.618  -4.075  -9.457
  438    HA   GLU  52           HA       GLU  52   7.193  -5.241 -12.042
  439    HB2  GLU  52           2HB      GLU  52   5.042  -6.367 -10.251
  440    HB3  GLU  52           1HB      GLU  52   5.135  -6.676 -11.977
  441    HG2  GLU  52           2HG      GLU  52   7.471  -7.564 -11.539
  442    HG3  GLU  52           1HG      GLU  52   7.043  -7.532  -9.830
  443    HA   PRO  53           HA       PRO  53   4.847  -1.596 -13.127
  444    HB2  PRO  53           2HB      PRO  53   4.497  -3.145 -15.651
  445    HB3  PRO  53           1HB      PRO  53   5.037  -1.478 -15.417
  446    HG2  PRO  53           2HG      PRO  53   6.782  -3.393 -16.019
  447    HG3  PRO  53           1HG      PRO  53   7.197  -2.115 -14.862
  448    HD2  PRO  53           2HD      PRO  53   6.464  -4.964 -14.360
  449    HD3  PRO  53           1HD      PRO  53   7.622  -3.928 -13.501
  450    H    SER  54           H        SER  54   3.712  -4.891 -13.438
  451    HA   SER  54           HA       SER  54   1.022  -4.299 -14.097
  452    HB2  SER  54           2HB      SER  54   0.563  -6.627 -13.425
  453    HB3  SER  54           1HB      SER  54   1.984  -6.523 -14.464
  454    HG   SER  54           HG       SER  54   2.545  -7.820 -12.773
  455    H    ARG  55           H        ARG  55   2.783  -4.454 -11.090
  456    HA   ARG  55           HA       ARG  55   0.339  -4.263  -9.513
  457    HB2  ARG  55           2HB      ARG  55   3.104  -4.105  -8.367
  458    HB3  ARG  55           1HB      ARG  55   1.636  -4.719  -7.625
  459    HG2  ARG  55           2HG      ARG  55   1.757  -6.741  -8.778
  460    HG3  ARG  55           1HG      ARG  55   2.881  -6.098  -9.977
  461    HD2  ARG  55           2HD      ARG  55   4.658  -6.035  -8.392
  462    HD3  ARG  55           1HD      ARG  55   3.561  -6.384  -7.061
  463    HE   ARG  55           HE       ARG  55   4.564  -8.279  -9.044
  464   HH11  ARG  55          1HH1      ARG  55   2.548  -7.676  -6.253
  465   HH12  ARG  55          2HH1      ARG  55   2.417  -9.350  -5.836
  466   HH21  ARG  55          1HH2      ARG  55   4.382 -10.478  -8.494
  467   HH22  ARG  55          2HH2      ARG  55   3.453 -10.939  -7.107
  468    H    LEU  56           H        LEU  56   2.371  -2.138 -11.098
  469    HA   LEU  56           HA       LEU  56   2.904  -0.047  -9.439
  470    HB2  LEU  56           2HB      LEU  56   2.166  -0.238 -12.307
  471    HB3  LEU  56           1HB      LEU  56   2.151   1.357 -11.581
  472    HG   LEU  56           HG       LEU  56   4.540  -0.481 -11.509
  473   HD11  LEU  56          1HD1      LEU  56   4.024   0.090 -13.814
  474   HD12  LEU  56          2HD1      LEU  56   5.473   0.933 -13.273
  475   HD13  LEU  56          3HD1      LEU  56   3.942   1.799 -13.387
  476   HD21  LEU  56          3HD2      LEU  56   4.627   2.479 -11.193
  477   HD22  LEU  56          1HD2      LEU  56   5.707   1.243 -10.547
  478   HD23  LEU  56          2HD2      LEU  56   4.115   1.488  -9.828
  479    HA   PRO  57           HA       PRO  57  -1.644   1.770 -10.369
  480    HB2  PRO  57           2HB      PRO  57  -3.346  -0.497 -10.325
  481    HB3  PRO  57           1HB      PRO  57  -3.028   0.573 -11.689
  482    HG2  PRO  57           2HG      PRO  57  -1.835  -2.065 -11.033
  483    HG3  PRO  57           1HG      PRO  57  -2.137  -1.326 -12.617
  484    HD2  PRO  57           2HD      PRO  57   0.333  -1.489 -11.612
  485    HD3  PRO  57           1HD      PRO  57  -0.187  -0.065 -12.537
  486    H    LEU  58           H        LEU  58  -0.695  -0.991  -8.443
  487    HA   LEU  58           HA       LEU  58  -2.627  -0.765  -6.408
  488    HB2  LEU  58           2HB      LEU  58  -0.703  -2.549  -6.946
  489    HB3  LEU  58           1HB      LEU  58   0.118  -1.636  -5.694
  490    HG   LEU  58           HG       LEU  58  -2.367  -2.101  -4.583
  491   HD11  LEU  58          1HD1      LEU  58  -2.374  -4.699  -4.857
  492   HD12  LEU  58          2HD1      LEU  58  -1.619  -4.334  -6.408
  493   HD13  LEU  58          3HD1      LEU  58  -3.208  -3.675  -6.024
  494   HD21  LEU  58          3HD2      LEU  58  -0.388  -2.247  -3.302
  495   HD22  LEU  58          1HD2      LEU  58   0.263  -3.535  -4.318
  496   HD23  LEU  58          2HD2      LEU  58  -1.112  -3.855  -3.263
  497    H    PHE  59           H        PHE  59   0.325   0.975  -7.045
  498    HA   PHE  59           HA       PHE  59   0.792   2.063  -4.507
  499    HB2  PHE  59           2HB      PHE  59   1.499   2.918  -7.292
  500    HB3  PHE  59           1HB      PHE  59   1.867   3.966  -5.927
  501    HD1  PHE  59           2HD      PHE  59   3.306   3.043  -4.062
  502    HD2  PHE  59           1HD      PHE  59   2.884   1.121  -7.835
  503    HE1  PHE  59           2HE      PHE  59   5.371   1.773  -3.642
  504    HE2  PHE  59           1HE      PHE  59   4.948  -0.153  -7.421
  505    HZ   PHE  59           HZ       PHE  59   6.196   0.172  -5.323
  506    H    ASP  60           H        ASP  60  -0.991   3.463  -7.267
  507    HA   ASP  60           HA       ASP  60  -1.697   5.861  -6.088
  508    HB2  ASP  60           2HB      ASP  60  -3.575   5.947  -7.679
  509    HB3  ASP  60           1HB      ASP  60  -2.083   5.431  -8.453
  510    H    ALA  61           H        ALA  61  -3.233   2.712  -5.769
  511    HA   ALA  61           HA       ALA  61  -5.486   3.665  -4.284
  512    HB1  ALA  61           1HB      ALA  61  -5.959   1.322  -3.859
  513    HB2  ALA  61           2HB      ALA  61  -4.355   0.871  -4.435
  514    HB3  ALA  61           3HB      ALA  61  -5.531   1.558  -5.554
  515    H    ILE  62           H        ILE  62  -2.245   2.672  -3.462
  516    HA   ILE  62           HA       ILE  62  -2.701   2.191  -0.706
  517    HB   ILE  62           HB       ILE  62  -0.164   2.891  -2.184
  518   HG12  ILE  62          2HG1      ILE  62  -0.723   0.231  -0.957
  519   HG13  ILE  62          1HG1      ILE  62  -1.564   0.642  -2.446
  520   HG21  ILE  62          1HG2      ILE  62   0.995   2.017  -0.151
  521   HG22  ILE  62          2HG2      ILE  62  -0.559   2.050   0.684
  522   HG23  ILE  62          3HG2      ILE  62   0.158   3.550   0.094
  523   HD11  ILE  62          3HD1      ILE  62   1.035  -0.375  -2.138
  524   HD12  ILE  62          1HD1      ILE  62   1.201   1.279  -2.727
  525   HD13  ILE  62          2HD1      ILE  62   0.228   0.116  -3.627
  526    H    ARG  63           H        ARG  63  -1.866   5.076  -2.550
  527    HA   ARG  63           HA       ARG  63  -1.098   6.752  -0.457
  528    HB2  ARG  63           2HB      ARG  63  -2.147   7.130  -3.195
  529    HB3  ARG  63           1HB      ARG  63  -2.319   8.506  -2.115
  530    HG2  ARG  63           2HG      ARG  63  -0.283   8.925  -3.088
  531    HG3  ARG  63           1HG      ARG  63   0.197   8.086  -1.612
  532    HD2  ARG  63           2HD      ARG  63   1.340   6.686  -2.912
  533    HD3  ARG  63           1HD      ARG  63  -0.213   6.049  -3.447
  534    HE   ARG  63           HE       ARG  63   0.146   7.021  -5.478
  535   HH11  ARG  63          1HH1      ARG  63   2.220   8.570  -3.135
  536   HH12  ARG  63          2HH1      ARG  63   3.052   9.523  -4.317
  537   HH21  ARG  63          1HH2      ARG  63   1.241   8.273  -7.033
  538   HH22  ARG  63          2HH2      ARG  63   2.498   9.355  -6.529
  539    HA   PRO  64           HA       PRO  64  -5.966   8.196  -0.554
  540    HB2  PRO  64           2HB      PRO  64  -6.645   5.272  -0.743
  541    HB3  PRO  64           1HB      PRO  64  -7.627   6.674  -1.188
  542    HG2  PRO  64           2HG      PRO  64  -6.292   5.311  -3.040
  543    HG3  PRO  64           1HG      PRO  64  -6.416   7.078  -3.119
  544    HD2  PRO  64           2HD      PRO  64  -4.086   5.389  -2.479
  545    HD3  PRO  64           1HD      PRO  64  -4.140   7.057  -3.075
  546    H    LEU  65           H        LEU  65  -5.152   4.975   0.804
  547    HA   LEU  65           HA       LEU  65  -6.471   5.447   3.258
  548    HB2  LEU  65           2HB      LEU  65  -5.463   3.430   4.038
  549    HB3  LEU  65           1HB      LEU  65  -5.941   3.205   2.368
  550    HG   LEU  65           HG       LEU  65  -3.222   4.114   2.453
  551   HD11  LEU  65          1HD1      LEU  65  -3.906   1.797   4.239
  552   HD12  LEU  65          2HD1      LEU  65  -2.959   3.234   4.625
  553   HD13  LEU  65          3HD1      LEU  65  -2.309   2.017   3.525
  554   HD21  LEU  65          3HD2      LEU  65  -4.659   1.646   1.526
  555   HD22  LEU  65          1HD2      LEU  65  -2.915   1.839   1.356
  556   HD23  LEU  65          2HD2      LEU  65  -4.007   2.971   0.561
  557    H    ILE  66           H        ILE  66  -3.249   6.134   2.133
  558    HA   ILE  66           HA       ILE  66  -2.126   6.621   4.712
  559    HB   ILE  66           HB       ILE  66  -1.101   6.295   2.168
  560   HG12  ILE  66          2HG1      ILE  66   1.030   7.254   3.666
  561   HG13  ILE  66          1HG1      ILE  66  -0.119   6.692   4.878
  562   HG21  ILE  66          1HG2      ILE  66  -1.522   8.681   1.687
  563   HG22  ILE  66          2HG2      ILE  66   0.186   8.248   1.613
  564   HG23  ILE  66          3HG2      ILE  66  -0.446   9.109   3.016
  565   HD11  ILE  66          3HD1      ILE  66   0.151   4.530   4.324
  566   HD12  ILE  66          1HD1      ILE  66   1.705   5.116   3.727
  567   HD13  ILE  66          2HD1      ILE  66   0.362   4.880   2.607
  568    HA   PRO  67           HA       PRO  67  -3.547  10.661   5.734
  569    HB2  PRO  67           2HB      PRO  67  -0.700  11.349   6.264
  570    HB3  PRO  67           1HB      PRO  67  -2.109  11.495   7.320
  571    HG2  PRO  67           2HG      PRO  67  -0.331   9.551   7.697
  572    HG3  PRO  67           1HG      PRO  67  -2.067   9.250   7.905
  573    HD2  PRO  67           2HD      PRO  67  -0.269   8.493   5.642
  574    HD3  PRO  67           1HD      PRO  67  -1.616   7.590   6.365
  575    H    LEU  68           H        LEU  68  -3.553  12.828   5.023
  576    HA   LEU  68           HA       LEU  68  -3.138  13.270   2.336
  577    HB2  LEU  68           2HB      LEU  68  -2.814  15.795   3.588
  578    HB3  LEU  68           1HB      LEU  68  -4.226  15.152   2.781
  579    HG   LEU  68           HG       LEU  68  -4.866  14.096   4.996
  580   HD11  LEU  68          1HD1      LEU  68  -3.877  15.010   7.005
  581   HD12  LEU  68          2HD1      LEU  68  -2.772  15.994   6.046
  582   HD13  LEU  68          3HD1      LEU  68  -2.631  14.237   6.026
  583   HD21  LEU  68          3HD2      LEU  68  -4.694  17.098   4.790
  584   HD22  LEU  68          1HD2      LEU  68  -5.742  16.213   5.898
  585   HD23  LEU  68          2HD2      LEU  68  -5.980  16.071   4.156
  586    H    LYS  69           H        LYS  69  -1.158  14.851   4.852
  587    HA   LYS  69           HA       LYS  69   0.860  15.781   3.233
  588    HB2  LYS  69           2HB      LYS  69   2.326  15.558   5.311
  589    HB3  LYS  69           1HB      LYS  69   0.858  16.512   5.471
  590    HG2  LYS  69           2HG      LYS  69   0.147  13.880   6.134
  591    HG3  LYS  69           1HG      LYS  69   1.691  14.190   6.930
  592    HD2  LYS  69           2HD      LYS  69  -0.026  16.474   7.213
  593    HD3  LYS  69           1HD      LYS  69  -0.874  15.020   7.743
  594    HE2  LYS  69           2HE      LYS  69   1.895  15.775   8.657
  595    HE3  LYS  69           1HE      LYS  69   0.427  16.208   9.530
  596    HZ1  LYS  69           3HZ      LYS  69   1.447  14.194  10.409
  597    HZ2  LYS  69           1HZ      LYS  69   1.293  13.437   8.904
  598    HZ3  LYS  69           2HZ      LYS  69  -0.090  13.870   9.778
  599    H    HIS  70           H        HIS  70   0.491  12.573   4.635
  600    HA   HIS  70           HA       HIS  70   3.013  11.545   3.988
  601    HB2  HIS  70           2HB      HIS  70   0.323  10.257   4.404
  602    HB3  HIS  70           1HB      HIS  70   1.746   9.302   4.003
  603    HD1  HIS  70           1HD      HIS  70   1.563   8.146   6.345
  604    HD2  HIS  70           2HD      HIS  70   2.289  12.237   6.469
  605    HE1  HIS  70           1HE      HIS  70   2.288   8.628   8.703
  606    HE2  HIS  70           2HE      HIS  70   2.793  11.096   8.737
  607    H    GLN  71           H        GLN  71   0.050  11.809   2.098
  608    HA   GLN  71           HA       GLN  71   0.789  10.196  -0.068
  609    HB2  GLN  71           2HB      GLN  71  -1.011  12.615   0.064
  610    HB3  GLN  71           1HB      GLN  71  -0.840  11.614  -1.371
  611    HG2  GLN  71           2HG      GLN  71  -1.716   9.703  -0.202
  612    HG3  GLN  71           1HG      GLN  71  -1.767  10.611   1.309
  613   HE21  GLN  71          1HE2      GLN  71  -3.681   9.397  -0.938
  614   HE22  GLN  71          2HE2      GLN  71  -4.961  10.559  -0.953
  615    H    VAL  72           H        VAL  72   1.213  13.667   0.463
  616    HA   VAL  72           HA       VAL  72   2.409  14.323  -1.964
  617    HB   VAL  72           HB       VAL  72   3.123  15.570   0.690
  618   HG11  VAL  72          1HG1      VAL  72   4.433  16.152  -1.396
  619   HG12  VAL  72          2HG1      VAL  72   3.688  17.502  -0.540
  620   HG13  VAL  72          3HG1      VAL  72   2.948  16.876  -2.013
  621   HG21  VAL  72          3HG2      VAL  72   1.180  17.157  -0.442
  622   HG22  VAL  72          1HG2      VAL  72   0.947  16.035   0.899
  623   HG23  VAL  72          2HG2      VAL  72   0.589  15.525  -0.750
  624    H    GLU  73           H        GLU  73   3.977  13.455   1.122
  625    HA   GLU  73           HA       GLU  73   6.603  13.468   0.054
  626    HB2  GLU  73           2HB      GLU  73   5.670  13.456   2.557
  627    HB3  GLU  73           1HB      GLU  73   5.960  11.730   2.386
  628    HG2  GLU  73           2HG      GLU  73   7.950  12.438   3.265
  629    HG3  GLU  73           1HG      GLU  73   8.301  12.489   1.538
  630    H    TYR  74           H        TYR  74   4.110  11.018   0.307
  631    HA   TYR  74           HA       TYR  74   5.600   8.719  -0.157
  632    HB2  TYR  74           2HB      TYR  74   3.109   8.880   0.332
  633    HB3  TYR  74           1HB      TYR  74   2.885   9.251  -1.373
  634    HD1  TYR  74           1HD      TYR  74   3.986   7.509  -3.030
  635    HD2  TYR  74           2HD      TYR  74   2.959   6.680   1.014
  636    HE1  TYR  74           1HE      TYR  74   3.926   5.106  -3.545
  637    HE2  TYR  74           2HE      TYR  74   2.895   4.273   0.510
  638    HH   TYR  74           HH       TYR  74   2.527   2.833  -1.558
  639    H    ASP  75           H        ASP  75   4.276  11.069  -2.422
  640    HA   ASP  75           HA       ASP  75   5.230   9.738  -4.762
  641    HB2  ASP  75           2HB      ASP  75   3.317  11.497  -4.514
  642    HB3  ASP  75           1HB      ASP  75   4.617  12.675  -4.667
  643    H    GLN  76           H        GLN  76   6.436  12.282  -2.643
  644    HA   GLN  76           HA       GLN  76   8.594  13.107  -4.271
  645    HB2  GLN  76           2HB      GLN  76   8.414  13.205  -1.257
  646    HB3  GLN  76           1HB      GLN  76   9.461  14.182  -2.277
  647    HG2  GLN  76           2HG      GLN  76   6.661  14.423  -3.003
  648    HG3  GLN  76           1HG      GLN  76   6.975  14.888  -1.331
  649   HE21  GLN  76          1HE2      GLN  76   7.255  16.980  -1.144
  650   HE22  GLN  76          2HE2      GLN  76   8.074  18.010  -2.265
  651    H    LEU  77           H        LEU  77   8.183  10.472  -2.019
  652    HA   LEU  77           HA       LEU  77  11.010   9.831  -2.002
  653    HB2  LEU  77           2HB      LEU  77   8.624   8.438  -0.792
  654    HB3  LEU  77           1HB      LEU  77  10.281   7.892  -0.608
  655    HG   LEU  77           HG       LEU  77   9.229  10.558   0.348
  656   HD11  LEU  77          1HD1      LEU  77   9.914   9.233   2.581
  657   HD12  LEU  77          2HD1      LEU  77   9.351   7.887   1.589
  658   HD13  LEU  77          3HD1      LEU  77   8.279   9.247   1.918
  659   HD21  LEU  77          3HD2      LEU  77  11.876   9.183   0.806
  660   HD22  LEU  77          1HD2      LEU  77  11.363  10.712   1.521
  661   HD23  LEU  77          2HD2      LEU  77  11.605  10.591  -0.221
  662    H    THR  78           H        THR  78   8.038   8.637  -3.444
  663    HA   THR  78           HA       THR  78   9.393   6.382  -4.663
  664    HB   THR  78           HB       THR  78   7.178   5.857  -5.616
  665    HG1  THR  78           1HG      THR  78   6.262   8.141  -4.215
  666   HG21  THR  78          3HG2      THR  78   7.742   6.008  -2.806
  667   HG22  THR  78          1HG2      THR  78   6.847   4.787  -3.712
  668   HG23  THR  78          2HG2      THR  78   6.019   6.224  -3.114
  669    HA   PRO  79           HA       PRO  79  10.397   8.771  -8.298
  670    HB2  PRO  79           2HB      PRO  79  11.418   6.776  -9.794
  671    HB3  PRO  79           1HB      PRO  79  12.283   7.447  -8.408
  672    HG2  PRO  79           2HG      PRO  79  10.654   4.942  -8.592
  673    HG3  PRO  79           1HG      PRO  79  12.221   5.202  -7.803
  674    HD2  PRO  79           2HD      PRO  79   9.857   5.154  -6.449
  675    HD3  PRO  79           1HD      PRO  79  11.263   6.099  -5.918
  676    H    ARG  80           H        ARG  80   9.377   9.285 -10.171
  677    HA   ARG  80           HA       ARG  80   6.932   7.888 -10.793
  678    HB2  ARG  80           2HB      ARG  80   8.005  10.514 -11.220
  679    HB3  ARG  80           1HB      ARG  80   7.469   9.855 -12.760
  680    HG2  ARG  80           2HG      ARG  80   5.279   9.324 -11.653
  681    HG3  ARG  80           1HG      ARG  80   5.845  10.249 -10.261
  682    HD2  ARG  80           2HD      ARG  80   5.934  12.252 -11.501
  683    HD3  ARG  80           1HD      ARG  80   5.795  11.398 -13.037
  684    HE   ARG  80           HE       ARG  80   3.485  10.794 -11.732
  685   HH11  ARG  80          1HH1      ARG  80   5.091  13.772 -12.589
  686   HH12  ARG  80          2HH1      ARG  80   3.617  14.671 -12.735
  687   HH21  ARG  80          1HH2      ARG  80   1.545  11.975 -11.924
  688   HH22  ARG  80          2HH2      ARG  80   1.605  13.650 -12.358
  Start of MODEL    9
    1    H1   MET   1           1HT      MET   1 -19.385  -1.763   8.159
    2    H2   MET   1           2HT      MET   1 -17.930  -2.486   7.607
    3    H3   MET   1           3HT      MET   1 -18.512  -1.050   6.867
    4    HA   MET   1           HA       MET   1 -18.047   0.233   8.703
    5    HB2  MET   1           2HB      MET   1 -18.887  -1.740  10.197
    6    HB3  MET   1           1HB      MET   1 -17.186  -2.181  10.265
    7    HG2  MET   1           2HG      MET   1 -17.082  -0.827  12.023
    8    HG3  MET   1           1HG      MET   1 -17.110   0.485  10.848
    9    HE1  MET   1           2HE      MET   1 -20.593   1.763  10.753
   10    HE2  MET   1           3HE      MET   1 -19.037   1.529   9.954
   11    HE3  MET   1           1HE      MET   1 -19.148   2.554  11.385
   12    H    ASP   2           H        ASP   2 -16.582   0.102   6.614
   13    HA   ASP   2           HA       ASP   2 -13.849  -0.159   7.607
   14    HB2  ASP   2           2HB      ASP   2 -13.172  -1.241   5.428
   15    HB3  ASP   2           1HB      ASP   2 -14.116  -2.264   6.507
   16    H    ARG   3           H        ARG   3 -12.285   0.726   5.851
   17    HA   ARG   3           HA       ARG   3 -13.102   3.397   5.296
   18    HB2  ARG   3           2HB      ARG   3 -10.660   1.971   5.452
   19    HB3  ARG   3           1HB      ARG   3 -10.724   2.697   3.852
   20    HG2  ARG   3           2HG      ARG   3 -10.884   4.871   4.728
   21    HG3  ARG   3           1HG      ARG   3 -11.265   4.277   6.346
   22    HD2  ARG   3           2HD      ARG   3  -8.830   3.098   5.765
   23    HD3  ARG   3           1HD      ARG   3  -8.686   4.717   5.081
   24    HE   ARG   3           HE       ARG   3  -8.763   4.015   7.856
   25   HH11  ARG   3          1HH1      ARG   3  -9.479   6.538   5.554
   26   HH12  ARG   3          2HH1      ARG   3  -9.347   7.811   6.718
   27   HH21  ARG   3          1HH2      ARG   3  -8.588   5.689   9.391
   28   HH22  ARG   3          2HH2      ARG   3  -8.840   7.331   8.898
   29    H    LYS   4           H        LYS   4 -13.474   4.409   3.338
   30    HA   LYS   4           HA       LYS   4 -14.906   3.032   1.403
   31    HB2  LYS   4           2HB      LYS   4 -14.376   5.106  -0.045
   32    HB3  LYS   4           1HB      LYS   4 -15.286   5.327   1.443
   33    HG2  LYS   4           2HG      LYS   4 -12.538   5.575   2.080
   34    HG3  LYS   4           1HG      LYS   4 -12.847   6.546   0.642
   35    HD2  LYS   4           2HD      LYS   4 -14.301   7.945   1.734
   36    HD3  LYS   4           1HD      LYS   4 -14.760   6.719   2.918
   37    HE2  LYS   4           2HE      LYS   4 -12.078   7.090   3.409
   38    HE3  LYS   4           1HE      LYS   4 -12.638   8.714   3.012
   39    HZ1  LYS   4           3HZ      LYS   4 -12.800   7.671   5.443
   40    HZ2  LYS   4           1HZ      LYS   4 -14.309   7.198   4.843
   41    HZ3  LYS   4           2HZ      LYS   4 -13.883   8.835   4.868
   42    H    VAL   5           H        VAL   5 -11.538   4.195   1.196
   43    HA   VAL   5           HA       VAL   5 -11.086   2.921  -1.325
   44    HB   VAL   5           HB       VAL   5  -8.967   3.890   0.594
   45   HG11  VAL   5          1HG1      VAL   5  -7.493   3.583  -1.058
   46   HG12  VAL   5          2HG1      VAL   5  -8.587   4.224  -2.283
   47   HG13  VAL   5          3HG1      VAL   5  -8.723   2.542  -1.774
   48   HG21  VAL   5          3HG2      VAL   5  -9.558   6.005   0.251
   49   HG22  VAL   5          1HG2      VAL   5 -11.020   5.430  -0.549
   50   HG23  VAL   5          2HG2      VAL   5  -9.572   5.765  -1.496
   51    H    ALA   6           H        ALA   6 -10.779   1.987   2.000
   52    HA   ALA   6           HA       ALA   6  -8.890  -0.046   1.830
   53    HB1  ALA   6           1HB      ALA   6 -11.147   0.560   3.658
   54    HB2  ALA   6           2HB      ALA   6  -9.426   0.394   4.001
   55    HB3  ALA   6           3HB      ALA   6 -10.417  -1.042   3.746
   56    H    ARG   7           H        ARG   7 -12.399  -0.214   1.373
   57    HA   ARG   7           HA       ARG   7 -12.582  -2.970   0.934
   58    HB2  ARG   7           2HB      ARG   7 -14.531  -1.530   1.353
   59    HB3  ARG   7           1HB      ARG   7 -14.306  -0.772  -0.217
   60    HG2  ARG   7           2HG      ARG   7 -15.228  -2.495  -1.335
   61    HG3  ARG   7           1HG      ARG   7 -14.559  -3.706  -0.238
   62    HD2  ARG   7           2HD      ARG   7 -16.242  -3.032   1.452
   63    HD3  ARG   7           1HD      ARG   7 -16.945  -1.931   0.268
   64    HE   ARG   7           HE       ARG   7 -16.973  -4.310  -1.014
   65   HH11  ARG   7          1HH1      ARG   7 -18.112  -3.280   2.121
   66   HH12  ARG   7          2HH1      ARG   7 -19.403  -4.434   2.169
   67   HH21  ARG   7          1HH2      ARG   7 -18.671  -5.826  -0.951
   68   HH22  ARG   7          2HH2      ARG   7 -19.720  -5.881   0.426
   69    H    GLU   8           H        GLU   8 -12.435  -0.346  -1.449
   70    HA   GLU   8           HA       GLU   8 -12.239  -2.031  -3.703
   71    HB2  GLU   8           2HB      GLU   8 -12.792   0.515  -3.529
   72    HB3  GLU   8           1HB      GLU   8 -11.049   0.723  -3.650
   73    HG2  GLU   8           2HG      GLU   8 -11.112   0.451  -5.843
   74    HG3  GLU   8           1HG      GLU   8 -11.955  -1.088  -5.677
   75    H    PHE   9           H        PHE   9  -9.891  -0.763  -1.466
   76    HA   PHE   9           HA       PHE   9  -7.554  -1.150  -2.966
   77    HB2  PHE   9           2HB      PHE   9  -7.600   0.148  -0.886
   78    HB3  PHE   9           1HB      PHE   9  -7.950  -1.314   0.031
   79    HD1  PHE   9           2HD      PHE   9  -6.220  -3.132   0.116
   80    HD2  PHE   9           1HD      PHE   9  -5.402   0.749  -1.425
   81    HE1  PHE   9           2HE      PHE   9  -3.810  -3.536   0.389
   82    HE2  PHE   9           1HE      PHE   9  -2.990   0.352  -1.157
   83    HZ   PHE   9           HZ       PHE   9  -2.190  -1.793  -0.247
   84    H    ARG  10           H        ARG  10  -9.061  -3.283  -0.534
   85    HA   ARG  10           HA       ARG  10  -7.269  -5.419  -0.869
   86    HB2  ARG  10           2HB      ARG  10  -9.222  -4.914   0.893
   87    HB3  ARG  10           1HB      ARG  10 -10.088  -6.028  -0.156
   88    HG2  ARG  10           2HG      ARG  10  -7.381  -6.781   0.828
   89    HG3  ARG  10           1HG      ARG  10  -8.762  -6.893   1.922
   90    HD2  ARG  10           2HD      ARG  10  -9.646  -8.044  -0.452
   91    HD3  ARG  10           1HD      ARG  10  -7.990  -8.619  -0.271
   92    HE   ARG  10           HE       ARG  10 -10.257  -9.347   1.325
   93   HH11  ARG  10          1HH1      ARG  10  -6.781  -9.033   1.303
   94   HH12  ARG  10          2HH1      ARG  10  -6.542 -10.195   2.564
   95   HH21  ARG  10          1HH2      ARG  10  -9.946 -10.876   2.985
   96   HH22  ARG  10          2HH2      ARG  10  -8.339 -11.241   3.519
   97    H    HIS  11           H        HIS  11 -10.320  -4.640  -2.468
   98    HA   HIS  11           HA       HIS  11 -10.628  -7.042  -3.888
   99    HB2  HIS  11           2HB      HIS  11 -11.665  -4.260  -4.197
  100    HB3  HIS  11           1HB      HIS  11 -11.883  -5.389  -5.530
  101    HD1  HIS  11           1HD      HIS  11 -13.971  -6.702  -5.417
  102    HD2  HIS  11           2HD      HIS  11 -12.732  -5.450  -1.653
  103    HE1  HIS  11           1HE      HIS  11 -15.761  -7.473  -3.828
  104    HE2  HIS  11           2HE      HIS  11 -15.033  -6.627  -1.570
  105    H    LYS  12           H        LYS  12  -9.232  -3.938  -4.976
  106    HA   LYS  12           HA       LYS  12  -8.442  -4.897  -7.507
  107    HB2  LYS  12           2HB      LYS  12  -7.080  -2.867  -7.656
  108    HB3  LYS  12           1HB      LYS  12  -8.690  -2.513  -7.048
  109    HG2  LYS  12           2HG      LYS  12  -7.627  -2.665  -4.720
  110    HG3  LYS  12           1HG      LYS  12  -6.088  -2.530  -5.572
  111    HD2  LYS  12           2HD      LYS  12  -8.361  -0.573  -5.879
  112    HD3  LYS  12           1HD      LYS  12  -7.024  -0.358  -4.747
  113    HE2  LYS  12           2HE      LYS  12  -5.493   0.019  -6.416
  114    HE3  LYS  12           1HE      LYS  12  -6.405  -0.905  -7.607
  115    HZ1  LYS  12           3HZ      LYS  12  -6.758   1.879  -6.752
  116    HZ2  LYS  12           1HZ      LYS  12  -8.111   1.018  -7.291
  117    HZ3  LYS  12           2HZ      LYS  12  -6.777   1.223  -8.310
  118    H    VAL  13           H        VAL  13  -6.685  -4.621  -4.434
  119    HA   VAL  13           HA       VAL  13  -4.139  -5.289  -5.285
  120    HB   VAL  13           HB       VAL  13  -5.522  -5.993  -2.693
  121   HG11  VAL  13          1HG1      VAL  13  -3.270  -6.370  -1.767
  122   HG12  VAL  13          2HG1      VAL  13  -2.594  -6.214  -3.386
  123   HG13  VAL  13          3HG1      VAL  13  -3.687  -7.546  -3.013
  124   HG21  VAL  13          3HG2      VAL  13  -3.358  -4.036  -2.676
  125   HG22  VAL  13          1HG2      VAL  13  -4.973  -3.951  -1.972
  126   HG23  VAL  13          2HG2      VAL  13  -4.732  -3.555  -3.673
  127    H    ASP  14           H        ASP  14  -6.796  -7.462  -4.372
  128    HA   ASP  14           HA       ASP  14  -5.300  -9.847  -4.839
  129    HB2  ASP  14           2HB      ASP  14  -7.265  -9.766  -3.334
  130    HB3  ASP  14           1HB      ASP  14  -8.301  -9.465  -4.726
  131    H    PHE  15           H        PHE  15  -7.296  -7.761  -6.797
  132    HA   PHE  15           HA       PHE  15  -7.707  -9.562  -8.950
  133    HB2  PHE  15           2HB      PHE  15  -9.082  -7.534  -8.554
  134    HB3  PHE  15           1HB      PHE  15  -7.702  -6.537  -9.004
  135    HD1  PHE  15           2HD      PHE  15  -9.024  -9.660 -10.539
  136    HD2  PHE  15           1HD      PHE  15  -8.277  -5.494 -10.982
  137    HE1  PHE  15           2HE      PHE  15  -9.705  -9.793 -12.900
  138    HE2  PHE  15           1HE      PHE  15  -8.956  -5.619 -13.344
  139    HZ   PHE  15           HZ       PHE  15  -9.670  -7.771 -14.305
  140    H    LEU  16           H        LEU  16  -5.393  -6.879  -8.509
  141    HA   LEU  16           HA       LEU  16  -4.021  -7.517 -10.949
  142    HB2  LEU  16           2HB      LEU  16  -2.379  -5.791 -10.139
  143    HB3  LEU  16           1HB      LEU  16  -4.024  -5.238 -10.388
  144    HG   LEU  16           HG       LEU  16  -3.818  -6.043  -7.675
  145   HD11  LEU  16          1HD1      LEU  16  -1.990  -4.925  -6.798
  146   HD12  LEU  16          2HD1      LEU  16  -1.734  -3.983  -8.267
  147   HD13  LEU  16          3HD1      LEU  16  -1.323  -5.697  -8.236
  148   HD21  LEU  16          3HD2      LEU  16  -3.876  -3.262  -8.831
  149   HD22  LEU  16          1HD2      LEU  16  -4.444  -3.772  -7.241
  150   HD23  LEU  16          2HD2      LEU  16  -5.288  -4.310  -8.694
  151    H    ILE  17           H        ILE  17  -3.523  -8.134  -7.529
  152    HA   ILE  17           HA       ILE  17  -0.973  -9.447  -8.099
  153    HB   ILE  17           HB       ILE  17  -2.242  -9.130  -5.388
  154   HG12  ILE  17          2HG1      ILE  17  -0.382  -7.235  -6.841
  155   HG13  ILE  17          1HG1      ILE  17  -2.044  -6.909  -6.362
  156   HG21  ILE  17          1HG2      ILE  17  -0.502 -10.367  -4.771
  157   HG22  ILE  17          2HG2      ILE  17   0.540  -9.020  -5.226
  158   HG23  ILE  17          3HG2      ILE  17   0.197 -10.300  -6.389
  159   HD11  ILE  17          3HD1      ILE  17  -1.064  -5.901  -4.620
  160   HD12  ILE  17          1HD1      ILE  17   0.429  -6.824  -4.790
  161   HD13  ILE  17          2HD1      ILE  17  -0.963  -7.540  -3.975
  162    H    GLU  18           H        GLU  18  -3.772 -10.228  -6.058
  163    HA   GLU  18           HA       GLU  18  -5.007 -12.136  -5.843
  164    HB2  GLU  18           2HB      GLU  18  -4.574 -12.248  -8.408
  165    HB3  GLU  18           1HB      GLU  18  -3.419 -13.507  -7.986
  166    HG2  GLU  18           2HG      GLU  18  -5.720 -14.187  -6.595
  167    HG3  GLU  18           1HG      GLU  18  -6.299 -13.619  -8.160
  168    H    ASN  19           H        ASN  19  -1.826 -11.791  -5.205
  169    HA   ASN  19           HA       ASN  19  -1.396 -14.526  -4.285
  170    HB2  ASN  19           2HB      ASN  19   0.360 -12.177  -4.808
  171    HB3  ASN  19           1HB      ASN  19   0.878 -13.327  -3.577
  172   HD21  ASN  19          1HD2      ASN  19   1.910 -15.088  -4.215
  173   HD22  ASN  19          2HD2      ASN  19   2.017 -15.658  -5.843
  174    H    ASP  20           H        ASP  20  -2.027 -15.048  -2.305
  175    HA   ASP  20           HA       ASP  20  -2.938 -13.250  -0.374
  176    HB2  ASP  20           2HB      ASP  20  -3.033 -15.950  -0.656
  177    HB3  ASP  20           1HB      ASP  20  -1.854 -15.802   0.643
  178    H    ALA  21           H        ALA  21   0.246 -14.598  -0.937
  179    HA   ALA  21           HA       ALA  21   1.419 -13.797   1.509
  180    HB1  ALA  21           1HB      ALA  21   2.231 -15.371  -0.518
  181    HB2  ALA  21           2HB      ALA  21   3.319 -14.707   0.702
  182    HB3  ALA  21           3HB      ALA  21   3.160 -13.912  -0.865
  183    H    GLU  22           H        GLU  22   1.026 -12.222  -1.608
  184    HA   GLU  22           HA       GLU  22   2.702 -10.001  -1.070
  185    HB2  GLU  22           2HB      GLU  22   0.368 -10.197  -2.980
  186    HB3  GLU  22           1HB      GLU  22   1.617  -8.960  -3.003
  187    HG2  GLU  22           2HG      GLU  22   2.232 -11.879  -3.318
  188    HG3  GLU  22           1HG      GLU  22   1.836 -10.836  -4.681
  189    H    LYS  23           H        LYS  23  -0.710 -10.650  -0.539
  190    HA   LYS  23           HA       LYS  23  -1.388  -7.989   0.227
  191    HB2  LYS  23           2HB      LYS  23  -2.832 -10.548   0.931
  192    HB3  LYS  23           1HB      LYS  23  -3.502  -8.923   0.949
  193    HG2  LYS  23           2HG      LYS  23  -3.354  -8.770  -1.439
  194    HG3  LYS  23           1HG      LYS  23  -2.490 -10.306  -1.525
  195    HD2  LYS  23           2HD      LYS  23  -4.737 -11.025  -0.167
  196    HD3  LYS  23           1HD      LYS  23  -5.361  -9.765  -1.233
  197    HE2  LYS  23           2HE      LYS  23  -5.059 -11.007  -3.092
  198    HE3  LYS  23           1HE      LYS  23  -3.554 -11.712  -2.501
  199    HZ1  LYS  23           3HZ      LYS  23  -5.677 -13.167  -2.764
  200    HZ2  LYS  23           1HZ      LYS  23  -6.090 -12.517  -1.257
  201    HZ3  LYS  23           2HZ      LYS  23  -4.655 -13.394  -1.436
  202    H    ASP  24           H        ASP  24  -0.311 -10.861   1.941
  203    HA   ASP  24           HA       ASP  24  -0.787  -9.806   4.552
  204    HB2  ASP  24           2HB      ASP  24   0.000 -12.290   3.458
  205    HB3  ASP  24           1HB      ASP  24   1.296 -11.795   4.542
  206    H    TYR  25           H        TYR  25   1.900  -9.804   2.307
  207    HA   TYR  25           HA       TYR  25   3.861  -8.850   4.125
  208    HB2  TYR  25           2HB      TYR  25   4.459  -9.966   2.021
  209    HB3  TYR  25           1HB      TYR  25   3.747  -8.640   1.108
  210    HD1  TYR  25           2HD      TYR  25   6.361  -9.285   3.695
  211    HD2  TYR  25           1HD      TYR  25   5.117  -6.916   0.388
  212    HE1  TYR  25           2HE      TYR  25   8.523  -8.115   3.728
  213    HE2  TYR  25           1HE      TYR  25   7.276  -5.740   0.410
  214    HH   TYR  25           HH       TYR  25   9.525  -6.030   1.184
  215    H    LEU  26           H        LEU  26   1.857  -7.236   1.667
  216    HA   LEU  26           HA       LEU  26   2.805  -4.631   2.205
  217    HB2  LEU  26           2HB      LEU  26   1.104  -3.855   0.785
  218    HB3  LEU  26           1HB      LEU  26   1.551  -5.425   0.149
  219    HG   LEU  26           HG       LEU  26  -0.469  -6.268   1.592
  220   HD11  LEU  26          1HD1      LEU  26  -0.823  -3.320   1.516
  221   HD12  LEU  26          2HD1      LEU  26  -1.265  -4.483   2.766
  222   HD13  LEU  26          3HD1      LEU  26  -2.248  -4.338   1.310
  223   HD21  LEU  26          3HD2      LEU  26  -0.441  -6.531  -0.767
  224   HD22  LEU  26          1HD2      LEU  26  -0.660  -4.800  -1.028
  225   HD23  LEU  26          2HD2      LEU  26  -1.975  -5.764  -0.357
  226    H    TYR  27           H        TYR  27   0.262  -6.589   3.607
  227    HA   TYR  27           HA       TYR  27  -1.032  -4.508   5.034
  228    HB2  TYR  27           2HB      TYR  27  -1.161  -7.437   4.925
  229    HB3  TYR  27           1HB      TYR  27  -1.511  -6.775   6.519
  230    HD1  TYR  27           1HD      TYR  27  -2.402  -6.124   2.943
  231    HD2  TYR  27           2HD      TYR  27  -3.708  -6.272   6.988
  232    HE1  TYR  27           1HE      TYR  27  -4.691  -5.600   2.216
  233    HE2  TYR  27           2HE      TYR  27  -6.003  -5.748   6.273
  234    HH   TYR  27           HH       TYR  27  -6.964  -5.820   2.983
  235    H    ASP  28           H        ASP  28   1.638  -6.671   5.765
  236    HA   ASP  28           HA       ASP  28   1.867  -6.001   8.511
  237    HB2  ASP  28           2HB      ASP  28   2.890  -8.000   7.200
  238    HB3  ASP  28           1HB      ASP  28   4.198  -6.879   6.828
  239    H    VAL  29           H        VAL  29   3.310  -4.720   5.560
  240    HA   VAL  29           HA       VAL  29   5.176  -2.991   6.753
  241    HB   VAL  29           HB       VAL  29   3.744  -2.463   4.151
  242   HG11  VAL  29          1HG1      VAL  29   6.584  -1.829   4.917
  243   HG12  VAL  29          2HG1      VAL  29   5.247  -0.707   5.167
  244   HG13  VAL  29          3HG1      VAL  29   5.667  -1.229   3.535
  245   HG21  VAL  29          3HG2      VAL  29   4.524  -4.426   3.432
  246   HG22  VAL  29          1HG2      VAL  29   5.498  -4.658   4.885
  247   HG23  VAL  29          2HG2      VAL  29   6.134  -3.713   3.539
  248    H    LEU  30           H        LEU  30   1.832  -2.435   5.686
  249    HA   LEU  30           HA       LEU  30   1.755   0.294   6.438
  250    HB2  LEU  30           2HB      LEU  30  -0.277  -1.775   5.729
  251    HB3  LEU  30           1HB      LEU  30  -0.822  -0.283   6.474
  252    HG   LEU  30           HG       LEU  30   0.931  -0.219   4.038
  253   HD11  LEU  30          1HD1      LEU  30  -1.015  -0.190   2.625
  254   HD12  LEU  30          2HD1      LEU  30  -2.079  -0.362   4.021
  255   HD13  LEU  30          3HD1      LEU  30  -1.005  -1.684   3.561
  256   HD21  LEU  30          3HD2      LEU  30  -0.061   1.945   3.719
  257   HD22  LEU  30          1HD2      LEU  30   0.538   1.836   5.374
  258   HD23  LEU  30          2HD2      LEU  30  -1.188   1.672   5.048
  259    H    ARG  31           H        ARG  31   0.710  -2.683   8.059
  260    HA   ARG  31           HA       ARG  31  -0.472  -1.555  10.311
  261    HB2  ARG  31           2HB      ARG  31  -0.351  -4.025   9.552
  262    HB3  ARG  31           1HB      ARG  31   1.154  -4.077  10.458
  263    HG2  ARG  31           2HG      ARG  31  -0.212  -3.180  12.425
  264    HG3  ARG  31           1HG      ARG  31  -1.628  -3.628  11.473
  265    HD2  ARG  31           2HD      ARG  31  -1.131  -5.893  11.562
  266    HD3  ARG  31           1HD      ARG  31   0.570  -5.606  11.926
  267    HE   ARG  31           HE       ARG  31   0.043  -5.487  14.154
  268   HH11  ARG  31          1HH1      ARG  31  -2.892  -5.283  12.276
  269   HH12  ARG  31          2HH1      ARG  31  -3.931  -5.417  13.655
  270   HH21  ARG  31          1HH2      ARG  31  -1.322  -5.667  15.968
  271   HH22  ARG  31          2HH2      ARG  31  -3.041  -5.635  15.751
  272    H    MET  32           H        MET  32   2.908  -2.281   9.648
  273    HA   MET  32           HA       MET  32   3.739  -1.360  12.270
  274    HB2  MET  32           2HB      MET  32   4.884  -2.958  10.160
  275    HB3  MET  32           1HB      MET  32   5.996  -1.673  10.610
  276    HG2  MET  32           2HG      MET  32   5.496  -2.447  13.037
  277    HG3  MET  32           1HG      MET  32   4.943  -3.927  12.256
  278    HE1  MET  32           3HE      MET  32   8.420  -1.598  12.515
  279    HE2  MET  32           1HE      MET  32   9.003  -2.917  13.531
  280    HE3  MET  32           2HE      MET  32   7.456  -2.149  13.886
  281    H    TYR  33           H        TYR  33   3.524  -0.181   9.006
  282    HA   TYR  33           HA       TYR  33   5.318   1.955   9.112
  283    HB2  TYR  33           2HB      TYR  33   4.373   1.316   7.003
  284    HB3  TYR  33           1HB      TYR  33   2.737   1.598   7.584
  285    HD1  TYR  33           1HD      TYR  33   5.773   3.747   7.853
  286    HD2  TYR  33           2HD      TYR  33   1.871   3.275   6.225
  287    HE1  TYR  33           1HE      TYR  33   5.865   6.044   6.981
  288    HE2  TYR  33           2HE      TYR  33   1.954   5.571   5.348
  289    HH   TYR  33           HH       TYR  33   4.062   7.849   6.352
  290    H    HIS  34           H        HIS  34   2.027   1.650  10.287
  291    HA   HIS  34           HA       HIS  34   1.619   4.404  10.835
  292    HB2  HIS  34           2HB      HIS  34   0.281   1.876  11.761
  293    HB3  HIS  34           1HB      HIS  34  -0.179   3.441  12.424
  294    HD1  HIS  34           1HD      HIS  34  -0.751   1.222   9.581
  295    HD2  HIS  34           2HD      HIS  34  -1.219   5.267  10.409
  296    HE1  HIS  34           1HE      HIS  34  -2.287   2.100   7.794
  297    HE2  HIS  34           2HE      HIS  34  -2.614   4.534   8.357
  298    H    GLN  35           H        GLN  35   2.879   1.707  12.720
  299    HA   GLN  35           HA       GLN  35   3.042   3.178  15.164
  300    HB2  GLN  35           2HB      GLN  35   4.393   0.607  14.339
  301    HB3  GLN  35           1HB      GLN  35   4.356   1.250  15.973
  302    HG2  GLN  35           2HG      GLN  35   1.719   1.204  15.406
  303    HG3  GLN  35           1HG      GLN  35   2.284  -0.160  14.442
  304   HE21  GLN  35          1HE2      GLN  35   4.107  -1.393  15.826
  305   HE22  GLN  35          2HE2      GLN  35   3.542  -1.892  17.381
  306    H    THR  36           H        THR  36   5.505   1.999  12.896
  307    HA   THR  36           HA       THR  36   7.615   3.454  14.149
  308    HB   THR  36           HB       THR  36   8.122   1.417  12.955
  309    HG1  THR  36           1HG      THR  36   9.658   3.192  12.896
  310   HG21  THR  36          3HG2      THR  36   7.078   0.881  11.086
  311   HG22  THR  36          1HG2      THR  36   8.041   2.102  10.254
  312   HG23  THR  36          2HG2      THR  36   6.456   2.522  10.903
  313    H    MET  37           H        MET  37   5.415   4.095  11.505
  314    HA   MET  37           HA       MET  37   4.999   5.967  10.282
  315    HB2  MET  37           2HB      MET  37   5.740   6.870  12.847
  316    HB3  MET  37           1HB      MET  37   6.578   7.912  11.705
  317    HG2  MET  37           2HG      MET  37   4.691   9.088  11.670
  318    HG3  MET  37           1HG      MET  37   4.069   7.802  10.638
  319    HE1  MET  37           3HE      MET  37   1.235   8.614  11.894
  320    HE2  MET  37           1HE      MET  37   1.050   6.884  12.175
  321    HE3  MET  37           2HE      MET  37   1.997   7.459  10.802
  322    H    ASP  38           H        ASP  38   7.209   4.332   9.562
  323    HA   ASP  38           HA       ASP  38   9.189   6.267   8.582
  324    HB2  ASP  38           2HB      ASP  38   9.277   3.419   9.324
  325    HB3  ASP  38           1HB      ASP  38  10.166   3.819   7.857
  326    H    VAL  39           H        VAL  39   8.257   7.150   6.790
  327    HA   VAL  39           HA       VAL  39   6.739   5.747   4.876
  328    HB   VAL  39           HB       VAL  39   8.348   8.240   4.330
  329   HG11  VAL  39          1HG1      VAL  39   6.894   6.761   2.606
  330   HG12  VAL  39          2HG1      VAL  39   7.105   8.507   2.466
  331   HG13  VAL  39          3HG1      VAL  39   5.648   7.851   3.215
  332   HG21  VAL  39          3HG2      VAL  39   5.825   9.105   4.934
  333   HG22  VAL  39          1HG2      VAL  39   7.210   9.164   6.025
  334   HG23  VAL  39          2HG2      VAL  39   6.070   7.823   6.118
  335    H    ALA  40           H        ALA  40  10.183   6.403   5.154
  336    HA   ALA  40           HA       ALA  40  11.002   5.678   2.586
  337    HB1  ALA  40           1HB      ALA  40  12.789   4.912   4.804
  338    HB2  ALA  40           2HB      ALA  40  12.277   6.600   4.766
  339    HB3  ALA  40           3HB      ALA  40  13.106   5.897   3.375
  340    H    VAL  41           H        VAL  41  10.838   3.663   5.524
  341    HA   VAL  41           HA       VAL  41  11.612   1.260   4.287
  342    HB   VAL  41           HB       VAL  41   9.807   1.518   6.695
  343   HG11  VAL  41          1HG1      VAL  41  11.826  -0.638   6.329
  344   HG12  VAL  41          2HG1      VAL  41  10.315  -0.735   5.427
  345   HG13  VAL  41          3HG1      VAL  41  10.288  -0.666   7.190
  346   HG21  VAL  41          3HG2      VAL  41  12.279   2.661   6.475
  347   HG22  VAL  41          1HG2      VAL  41  12.663   1.081   7.159
  348   HG23  VAL  41          2HG2      VAL  41  11.528   2.148   7.986
  349    H    LEU  42           H        LEU  42   8.468   2.775   4.736
  350    HA   LEU  42           HA       LEU  42   6.828   0.642   3.991
  351    HB2  LEU  42           2HB      LEU  42   5.938   2.670   4.980
  352    HB3  LEU  42           1HB      LEU  42   6.440   3.607   3.586
  353    HG   LEU  42           HG       LEU  42   4.859   2.126   2.223
  354   HD11  LEU  42          1HD1      LEU  42   4.300   1.207   4.979
  355   HD12  LEU  42          2HD1      LEU  42   4.201   0.337   3.449
  356   HD13  LEU  42          3HD1      LEU  42   2.915   1.450   3.916
  357   HD21  LEU  42          3HD2      LEU  42   3.942   4.173   2.330
  358   HD22  LEU  42          1HD2      LEU  42   4.252   4.335   4.059
  359   HD23  LEU  42          2HD2      LEU  42   2.847   3.429   3.496
  360    H    VAL  43           H        VAL  43   8.297   3.184   1.993
  361    HA   VAL  43           HA       VAL  43   7.208   2.304  -0.460
  362    HB   VAL  43           HB       VAL  43   9.804   3.801  -0.094
  363   HG11  VAL  43          1HG1      VAL  43   8.025   3.205  -2.388
  364   HG12  VAL  43          2HG1      VAL  43   9.780   3.374  -2.326
  365   HG13  VAL  43          3HG1      VAL  43   8.754   4.809  -2.321
  366   HG21  VAL  43          3HG2      VAL  43   7.062   4.604   0.459
  367   HG22  VAL  43          1HG2      VAL  43   7.863   5.660  -0.703
  368   HG23  VAL  43          2HG2      VAL  43   8.581   5.393   0.884
  369    H    GLY  44           H        GLY  44  10.219   1.553   1.231
  370    HA2  GLY  44           2HA      GLY  44  11.569   0.174  -0.764
  371    HA3  GLY  44           1HA      GLY  44  11.720  -0.162   0.953
  372    H    ASP  45           H        ASP  45   9.609  -1.353   1.804
  373    HA   ASP  45           HA       ASP  45   9.647  -3.923   0.719
  374    HB2  ASP  45           2HB      ASP  45   7.649  -2.555   2.523
  375    HB3  ASP  45           1HB      ASP  45   7.542  -4.261   2.102
  376    H    LEU  46           H        LEU  46   7.085  -1.456   0.475
  377    HA   LEU  46           HA       LEU  46   5.316  -2.812  -1.145
  378    HB2  LEU  46           2HB      LEU  46   6.006   0.108  -0.960
  379    HB3  LEU  46           1HB      LEU  46   4.759  -0.468  -2.051
  380    HG   LEU  46           HG       LEU  46   4.717  -0.991   0.920
  381   HD11  LEU  46          1HD1      LEU  46   2.915   1.006  -0.325
  382   HD12  LEU  46          2HD1      LEU  46   4.583   1.486  -0.017
  383   HD13  LEU  46          3HD1      LEU  46   3.566   0.927   1.312
  384   HD21  LEU  46          3HD2      LEU  46   2.312  -0.948  -0.822
  385   HD22  LEU  46          1HD2      LEU  46   2.652  -1.910   0.617
  386   HD23  LEU  46          2HD2      LEU  46   3.389  -2.341  -0.927
  387    H    LYS  47           H        LYS  47   8.375  -1.383  -1.965
  388    HA   LYS  47           HA       LYS  47   7.975  -1.386  -4.799
  389    HB2  LYS  47           2HB      LYS  47   9.644   0.044  -3.536
  390    HB3  LYS  47           1HB      LYS  47  10.618  -1.407  -3.337
  391    HG2  LYS  47           2HG      LYS  47  10.721  -1.626  -5.798
  392    HG3  LYS  47           1HG      LYS  47   9.844  -0.102  -5.937
  393    HD2  LYS  47           2HD      LYS  47  12.455  -0.397  -4.463
  394    HD3  LYS  47           1HD      LYS  47  12.339   0.078  -6.159
  395    HE2  LYS  47           2HE      LYS  47  11.614   2.156  -5.663
  396    HE3  LYS  47           1HE      LYS  47  10.637   1.600  -4.304
  397    HZ1  LYS  47           3HZ      LYS  47  12.299   2.828  -3.300
  398    HZ2  LYS  47           1HZ      LYS  47  13.504   2.288  -4.359
  399    HZ3  LYS  47           2HZ      LYS  47  12.899   1.253  -3.167
  400    H    LEU  48           H        LEU  48   9.583  -3.535  -2.484
  401    HA   LEU  48           HA       LEU  48  10.650  -5.372  -4.291
  402    HB2  LEU  48           2HB      LEU  48   9.522  -6.071  -1.586
  403    HB3  LEU  48           1HB      LEU  48  10.796  -6.902  -2.456
  404    HG   LEU  48           HG       LEU  48  10.973  -4.154  -1.225
  405   HD11  LEU  48          1HD1      LEU  48  11.713  -6.867  -0.358
  406   HD12  LEU  48          2HD1      LEU  48  11.333  -5.430   0.592
  407   HD13  LEU  48          3HD1      LEU  48  12.938  -5.623  -0.113
  408   HD21  LEU  48          3HD2      LEU  48  12.953  -5.722  -2.864
  409   HD22  LEU  48          1HD2      LEU  48  13.378  -4.327  -1.873
  410   HD23  LEU  48          2HD2      LEU  48  12.268  -4.140  -3.230
  411    H    VAL  49           H        VAL  49   7.412  -4.984  -3.054
  412    HA   VAL  49           HA       VAL  49   6.533  -7.450  -4.359
  413    HB   VAL  49           HB       VAL  49   4.246  -6.530  -3.355
  414   HG11  VAL  49          1HG1      VAL  49   5.305  -8.680  -2.853
  415   HG12  VAL  49          2HG1      VAL  49   4.630  -7.929  -1.406
  416   HG13  VAL  49          3HG1      VAL  49   6.369  -7.878  -1.698
  417   HG21  VAL  49          3HG2      VAL  49   5.428  -4.444  -2.547
  418   HG22  VAL  49          1HG2      VAL  49   6.221  -5.471  -1.354
  419   HG23  VAL  49          2HG2      VAL  49   4.465  -5.309  -1.347
  420    H    ILE  50           H        ILE  50   6.284  -3.974  -4.652
  421    HA   ILE  50           HA       ILE  50   4.479  -4.307  -6.952
  422    HB   ILE  50           HB       ILE  50   5.096  -1.715  -5.545
  423   HG12  ILE  50          2HG1      ILE  50   2.627  -3.394  -5.117
  424   HG13  ILE  50          1HG1      ILE  50   4.038  -3.523  -4.073
  425   HG21  ILE  50          1HG2      ILE  50   4.150  -1.071  -7.512
  426   HG22  ILE  50          2HG2      ILE  50   2.680  -1.358  -6.582
  427   HG23  ILE  50          3HG2      ILE  50   3.262  -2.582  -7.709
  428   HD11  ILE  50          3HD1      ILE  50   3.566  -0.822  -4.134
  429   HD12  ILE  50          1HD1      ILE  50   3.078  -1.935  -2.856
  430   HD13  ILE  50          2HD1      ILE  50   1.945  -1.516  -4.141
  431    H    ASN  51           H        ASN  51   7.453  -4.673  -6.933
  432    HA   ASN  51           HA       ASN  51   8.537  -2.431  -8.354
  433    HB2  ASN  51           2HB      ASN  51  10.369  -4.255  -8.906
  434    HB3  ASN  51           1HB      ASN  51  10.257  -3.532  -7.307
  435   HD21  ASN  51          1HD2      ASN  51   8.219  -6.026  -8.775
  436   HD22  ASN  51          2HD2      ASN  51   8.587  -7.251  -7.617
  437    H    GLU  52           H        GLU  52   6.413  -4.812  -9.268
  438    HA   GLU  52           HA       GLU  52   7.356  -4.955 -12.019
  439    HB2  GLU  52           2HB      GLU  52   5.739  -6.649 -10.285
  440    HB3  GLU  52           1HB      GLU  52   4.992  -6.402 -11.858
  441    HG2  GLU  52           2HG      GLU  52   7.168  -7.093 -12.890
  442    HG3  GLU  52           1HG      GLU  52   7.705  -7.548 -11.273
  443    HA   PRO  53           HA       PRO  53   4.961  -1.343 -13.171
  444    HB2  PRO  53           2HB      PRO  53   4.862  -3.043 -15.636
  445    HB3  PRO  53           1HB      PRO  53   5.154  -1.306 -15.484
  446    HG2  PRO  53           2HG      PRO  53   7.169  -3.043 -15.837
  447    HG3  PRO  53           1HG      PRO  53   7.348  -1.592 -14.835
  448    HD2  PRO  53           2HD      PRO  53   7.218  -4.421 -14.022
  449    HD3  PRO  53           1HD      PRO  53   7.847  -3.020 -13.134
  450    H    SER  54           H        SER  54   3.893  -4.674 -13.624
  451    HA   SER  54           HA       SER  54   1.236  -4.124 -14.368
  452    HB2  SER  54           2HB      SER  54   2.727  -6.480 -13.357
  453    HB3  SER  54           1HB      SER  54   0.978  -6.511 -13.136
  454    HG   SER  54           HG       SER  54   0.717  -6.729 -15.220
  455    H    ARG  55           H        ARG  55   2.787  -4.439 -11.219
  456    HA   ARG  55           HA       ARG  55   0.242  -4.100  -9.844
  457    HB2  ARG  55           2HB      ARG  55   3.015  -4.415  -8.691
  458    HB3  ARG  55           1HB      ARG  55   1.502  -4.488  -7.798
  459    HG2  ARG  55           2HG      ARG  55   1.241  -6.640  -8.263
  460    HG3  ARG  55           1HG      ARG  55   1.505  -6.367  -9.986
  461    HD2  ARG  55           2HD      ARG  55   3.901  -6.456  -9.667
  462    HD3  ARG  55           1HD      ARG  55   3.691  -6.610  -7.924
  463    HE   ARG  55           HE       ARG  55   3.403  -8.686  -9.905
  464   HH11  ARG  55          1HH1      ARG  55   2.589  -7.662  -6.667
  465   HH12  ARG  55          2HH1      ARG  55   2.316  -9.272  -6.093
  466   HH21  ARG  55          1HH2      ARG  55   3.041 -10.804  -9.150
  467   HH22  ARG  55          2HH2      ARG  55   2.572 -11.055  -7.502
  468    H    LEU  56           H        LEU  56   2.260  -2.000 -11.305
  469    HA   LEU  56           HA       LEU  56   2.911  -0.053  -9.447
  470    HB2  LEU  56           2HB      LEU  56   2.387  -0.071 -12.359
  471    HB3  LEU  56           1HB      LEU  56   2.328   1.492 -11.569
  472    HG   LEU  56           HG       LEU  56   4.679  -0.395 -11.452
  473   HD11  LEU  56          1HD1      LEU  56   5.769   1.061 -13.017
  474   HD12  LEU  56          2HD1      LEU  56   4.379   2.146 -13.043
  475   HD13  LEU  56          3HD1      LEU  56   4.243   0.522 -13.717
  476   HD21  LEU  56          3HD2      LEU  56   5.685   1.042 -10.052
  477   HD22  LEU  56          1HD2      LEU  56   4.042   1.569  -9.689
  478   HD23  LEU  56          2HD2      LEU  56   5.013   2.458 -10.860
  479    HA   PRO  57           HA       PRO  57  -1.549   1.916 -10.503
  480    HB2  PRO  57           2HB      PRO  57  -2.883  -0.756 -10.564
  481    HB3  PRO  57           1HB      PRO  57  -3.297   0.729 -11.430
  482    HG2  PRO  57           2HG      PRO  57  -2.073  -1.273 -12.685
  483    HG3  PRO  57           1HG      PRO  57  -1.648   0.415 -13.030
  484    HD2  PRO  57           2HD      PRO  57  -0.156  -1.635 -11.464
  485    HD3  PRO  57           1HD      PRO  57   0.459  -0.307 -12.468
  486    H    LEU  58           H        LEU  58  -0.742  -0.912  -8.603
  487    HA   LEU  58           HA       LEU  58  -2.677  -0.792  -6.616
  488    HB2  LEU  58           2HB      LEU  58  -1.104  -2.636  -6.813
  489    HB3  LEU  58           1HB      LEU  58   0.227  -1.577  -6.390
  490    HG   LEU  58           HG       LEU  58  -0.830  -1.243  -4.148
  491   HD11  LEU  58          1HD1      LEU  58  -2.761  -2.217  -3.521
  492   HD12  LEU  58          2HD1      LEU  58  -2.473  -3.664  -4.489
  493   HD13  LEU  58          3HD1      LEU  58  -3.085  -2.196  -5.254
  494   HD21  LEU  58          3HD2      LEU  58  -0.546  -4.080  -4.001
  495   HD22  LEU  58          1HD2      LEU  58   0.582  -2.823  -3.495
  496   HD23  LEU  58          2HD2      LEU  58   0.634  -3.442  -5.146
  497    H    PHE  59           H        PHE  59   0.387   0.965  -6.879
  498    HA   PHE  59           HA       PHE  59   0.528   2.158  -4.404
  499    HB2  PHE  59           2HB      PHE  59   1.312   3.139  -7.138
  500    HB3  PHE  59           1HB      PHE  59   1.583   4.126  -5.706
  501    HD1  PHE  59           2HD      PHE  59   2.639   2.591  -3.692
  502    HD2  PHE  59           1HD      PHE  59   3.154   2.010  -7.876
  503    HE1  PHE  59           2HE      PHE  59   4.744   1.390  -3.261
  504    HE2  PHE  59           1HE      PHE  59   5.259   0.808  -7.453
  505    HZ   PHE  59           HZ       PHE  59   6.057   0.498  -5.143
  506    H    ASP  60           H        ASP  60  -1.550   2.971  -7.104
  507    HA   ASP  60           HA       ASP  60  -2.421   5.492  -6.370
  508    HB2  ASP  60           2HB      ASP  60  -3.076   3.715  -8.346
  509    HB3  ASP  60           1HB      ASP  60  -4.551   3.736  -7.384
  510    H    ALA  61           H        ALA  61  -3.766   2.354  -5.430
  511    HA   ALA  61           HA       ALA  61  -5.747   3.455  -3.696
  512    HB1  ALA  61           1HB      ALA  61  -4.691   0.642  -3.587
  513    HB2  ALA  61           2HB      ALA  61  -5.800   1.194  -4.841
  514    HB3  ALA  61           3HB      ALA  61  -6.296   1.230  -3.148
  515    H    ILE  62           H        ILE  62  -2.412   2.525  -3.285
  516    HA   ILE  62           HA       ILE  62  -2.444   2.233  -0.468
  517    HB   ILE  62           HB       ILE  62  -0.117   3.009  -2.230
  518   HG12  ILE  62          2HG1      ILE  62  -1.026   0.285  -1.272
  519   HG13  ILE  62          1HG1      ILE  62  -1.184   0.893  -2.917
  520   HG21  ILE  62          1HG2      ILE  62   1.043   1.706  -0.243
  521   HG22  ILE  62          2HG2      ILE  62  -0.372   2.279   0.641
  522   HG23  ILE  62          3HG2      ILE  62   0.708   3.434  -0.144
  523   HD11  ILE  62          3HD1      ILE  62   0.988   0.527  -3.399
  524   HD12  ILE  62          1HD1      ILE  62   0.822  -0.667  -2.112
  525   HD13  ILE  62          2HD1      ILE  62   1.530   0.912  -1.766
  526    H    ARG  63           H        ARG  63  -2.174   5.012  -2.579
  527    HA   ARG  63           HA       ARG  63  -1.124   6.843  -0.716
  528    HB2  ARG  63           2HB      ARG  63  -2.436   6.977  -3.339
  529    HB3  ARG  63           1HB      ARG  63  -2.688   8.401  -2.339
  530    HG2  ARG  63           2HG      ARG  63  -0.600   9.111  -2.641
  531    HG3  ARG  63           1HG      ARG  63   0.080   7.510  -2.349
  532    HD2  ARG  63           2HD      ARG  63   0.632   7.649  -4.533
  533    HD3  ARG  63           1HD      ARG  63  -1.029   7.108  -4.764
  534    HE   ARG  63           HE       ARG  63  -0.750   9.966  -4.621
  535   HH11  ARG  63          1HH1      ARG  63  -0.645   7.181  -6.721
  536   HH12  ARG  63          2HH1      ARG  63  -0.993   8.092  -8.154
  537   HH21  ARG  63          1HH2      ARG  63  -1.206  11.165  -6.502
  538   HH22  ARG  63          2HH2      ARG  63  -1.310  10.354  -8.028
  539    HA   PRO  64           HA       PRO  64  -5.932   8.187  -0.139
  540    HB2  PRO  64           2HB      PRO  64  -6.776   5.318  -0.392
  541    HB3  PRO  64           1HB      PRO  64  -7.704   6.790  -0.707
  542    HG2  PRO  64           2HG      PRO  64  -6.648   5.411  -2.714
  543    HG3  PRO  64           1HG      PRO  64  -6.643   7.184  -2.731
  544    HD2  PRO  64           2HD      PRO  64  -4.405   5.294  -2.285
  545    HD3  PRO  64           1HD      PRO  64  -4.383   6.937  -2.951
  546    H    LEU  65           H        LEU  65  -5.053   4.866   0.864
  547    HA   LEU  65           HA       LEU  65  -6.056   5.147   3.486
  548    HB2  LEU  65           2HB      LEU  65  -4.774   3.089   3.974
  549    HB3  LEU  65           1HB      LEU  65  -5.788   2.962   2.549
  550    HG   LEU  65           HG       LEU  65  -3.649   3.528   1.221
  551   HD11  LEU  65          1HD1      LEU  65  -1.675   2.458   2.622
  552   HD12  LEU  65          2HD1      LEU  65  -2.599   3.127   3.966
  553   HD13  LEU  65          3HD1      LEU  65  -2.029   4.185   2.677
  554   HD21  LEU  65          3HD2      LEU  65  -3.023   1.195   1.136
  555   HD22  LEU  65          1HD2      LEU  65  -4.776   1.335   1.261
  556   HD23  LEU  65          2HD2      LEU  65  -3.823   0.894   2.679
  557    H    ILE  66           H        ILE  66  -3.156   6.245   2.034
  558    HA   ILE  66           HA       ILE  66  -1.707   6.414   4.541
  559    HB   ILE  66           HB       ILE  66  -0.899   6.207   1.904
  560   HG12  ILE  66          2HG1      ILE  66   1.343   7.098   3.328
  561   HG13  ILE  66          1HG1      ILE  66   0.285   6.380   4.538
  562   HG21  ILE  66          1HG2      ILE  66   0.309   8.158   1.293
  563   HG22  ILE  66          2HG2      ILE  66  -0.045   8.937   2.834
  564   HG23  ILE  66          3HG2      ILE  66  -1.339   8.663   1.668
  565   HD11  ILE  66          3HD1      ILE  66   1.935   5.112   2.556
  566   HD12  ILE  66          1HD1      ILE  66   0.257   4.592   2.410
  567   HD13  ILE  66          2HD1      ILE  66   1.105   4.414   3.947
  568    HA   PRO  67           HA       PRO  67  -3.150  10.400   5.798
  569    HB2  PRO  67           2HB      PRO  67  -0.312  10.920   6.527
  570    HB3  PRO  67           1HB      PRO  67  -1.770  11.047   7.517
  571    HG2  PRO  67           2HG      PRO  67  -0.088   9.009   7.836
  572    HG3  PRO  67           1HG      PRO  67  -1.843   8.767   7.941
  573    HD2  PRO  67           2HD      PRO  67   0.036   8.094   5.715
  574    HD3  PRO  67           1HD      PRO  67  -1.383   7.205   6.306
  575    H    LEU  68           H        LEU  68  -2.989  12.622   5.253
  576    HA   LEU  68           HA       LEU  68  -2.418  13.219   2.625
  577    HB2  LEU  68           2HB      LEU  68  -1.996  15.631   4.048
  578    HB3  LEU  68           1HB      LEU  68  -3.421  15.123   3.170
  579    HG   LEU  68           HG       LEU  68  -4.208  13.994   5.287
  580   HD11  LEU  68          1HD1      LEU  68  -3.208  14.707   7.386
  581   HD12  LEU  68          2HD1      LEU  68  -1.971  15.606   6.510
  582   HD13  LEU  68          3HD1      LEU  68  -2.025  13.848   6.401
  583   HD21  LEU  68          3HD2      LEU  68  -3.938  16.903   4.826
  584   HD22  LEU  68          1HD2      LEU  68  -4.503  16.390   6.415
  585   HD23  LEU  68          2HD2      LEU  68  -5.384  15.903   4.968
  586    H    LYS  69           H        LYS  69  -0.465  14.450   5.348
  587    HA   LYS  69           HA       LYS  69   1.689  15.401   3.954
  588    HB2  LYS  69           2HB      LYS  69   1.238  14.399   6.687
  589    HB3  LYS  69           1HB      LYS  69   2.916  14.368   6.164
  590    HG2  LYS  69           2HG      LYS  69   2.465  16.422   7.312
  591    HG3  LYS  69           1HG      LYS  69   2.758  16.756   5.604
  592    HD2  LYS  69           2HD      LYS  69   0.041  16.384   5.681
  593    HD3  LYS  69           1HD      LYS  69   0.360  17.184   7.221
  594    HE2  LYS  69           2HE      LYS  69   0.953  19.130   6.238
  595    HE3  LYS  69           1HE      LYS  69   1.725  18.326   4.872
  596    HZ1  LYS  69           3HZ      LYS  69  -0.325  19.616   4.330
  597    HZ2  LYS  69           1HZ      LYS  69  -1.217  18.480   5.214
  598    HZ3  LYS  69           2HZ      LYS  69  -0.361  17.999   3.835
  599    H    HIS  70           H        HIS  70   1.206  12.099   5.137
  600    HA   HIS  70           HA       HIS  70   3.660  11.073   4.204
  601    HB2  HIS  70           2HB      HIS  70   1.080   9.564   4.658
  602    HB3  HIS  70           1HB      HIS  70   2.702   8.882   4.621
  603    HD1  HIS  70           1HD      HIS  70   2.062   7.993   7.063
  604    HD2  HIS  70           2HD      HIS  70   2.511  12.111   6.689
  605    HE1  HIS  70           1HE      HIS  70   2.318   8.858   9.410
  606    HE2  HIS  70           2HE      HIS  70   2.652  11.342   9.155
  607    H    GLN  71           H        GLN  71   0.573  11.593   2.673
  608    HA   GLN  71           HA       GLN  71   0.888   9.905   0.450
  609    HB2  GLN  71           2HB      GLN  71  -0.986  11.836   1.341
  610    HB3  GLN  71           1HB      GLN  71  -0.529  12.281  -0.297
  611    HG2  GLN  71           2HG      GLN  71  -0.931   9.543  -0.425
  612    HG3  GLN  71           1HG      GLN  71  -2.210  10.125   0.641
  613   HE21  GLN  71          1HE2      GLN  71  -3.946  11.038  -0.239
  614   HE22  GLN  71          2HE2      GLN  71  -4.113  11.473  -1.903
  615    H    VAL  72           H        VAL  72   1.515  13.378   0.781
  616    HA   VAL  72           HA       VAL  72   2.597  13.813  -1.753
  617    HB   VAL  72           HB       VAL  72   3.417  15.247   0.777
  618   HG11  VAL  72          1HG1      VAL  72   3.785  17.147  -0.761
  619   HG12  VAL  72          2HG1      VAL  72   3.438  16.080  -2.121
  620   HG13  VAL  72          3HG1      VAL  72   4.842  15.775  -1.098
  621   HG21  VAL  72          3HG2      VAL  72   1.449  16.309   0.864
  622   HG22  VAL  72          1HG2      VAL  72   0.844  14.998  -0.147
  623   HG23  VAL  72          2HG2      VAL  72   1.377  16.507  -0.888
  624    H    GLU  73           H        GLU  73   4.243  13.036   1.306
  625    HA   GLU  73           HA       GLU  73   6.850  13.005   0.226
  626    HB2  GLU  73           2HB      GLU  73   5.659  12.598   2.759
  627    HB3  GLU  73           1HB      GLU  73   6.610  11.159   2.421
  628    HG2  GLU  73           2HG      GLU  73   7.981  13.671   1.818
  629    HG3  GLU  73           1HG      GLU  73   7.565  13.456   3.519
  630    H    TYR  74           H        TYR  74   4.403  10.483   0.613
  631    HA   TYR  74           HA       TYR  74   5.928   8.258  -0.048
  632    HB2  TYR  74           2HB      TYR  74   3.511   8.272   0.700
  633    HB3  TYR  74           1HB      TYR  74   3.078   8.706  -0.950
  634    HD1  TYR  74           2HD      TYR  74   5.288   6.176   0.704
  635    HD2  TYR  74           1HD      TYR  74   2.296   6.956  -2.220
  636    HE1  TYR  74           2HE      TYR  74   5.275   3.796   0.091
  637    HE2  TYR  74           1HE      TYR  74   2.273   4.576  -2.839
  638    HH   TYR  74           HH       TYR  74   2.859   2.385  -1.749
  639    H    ASP  75           H        ASP  75   4.386  10.662  -2.089
  640    HA   ASP  75           HA       ASP  75   5.061   9.398  -4.560
  641    HB2  ASP  75           2HB      ASP  75   3.234  11.205  -4.035
  642    HB3  ASP  75           1HB      ASP  75   4.545  12.344  -4.325
  643    H    GLN  76           H        GLN  76   6.595  11.718  -2.425
  644    HA   GLN  76           HA       GLN  76   8.559  12.655  -4.228
  645    HB2  GLN  76           2HB      GLN  76   8.166  12.692  -1.284
  646    HB3  GLN  76           1HB      GLN  76   9.799  12.970  -1.873
  647    HG2  GLN  76           2HG      GLN  76   8.662  14.704  -3.433
  648    HG3  GLN  76           1HG      GLN  76   7.341  14.612  -2.269
  649   HE21  GLN  76          1HE2      GLN  76   7.413  16.135  -0.797
  650   HE22  GLN  76          2HE2      GLN  76   8.838  16.852  -0.133
  651    H    LEU  77           H        LEU  77   8.329   9.799  -2.237
  652    HA   LEU  77           HA       LEU  77  11.110   9.092  -2.681
  653    HB2  LEU  77           2HB      LEU  77   8.928   7.506  -1.329
  654    HB3  LEU  77           1HB      LEU  77  10.645   7.153  -1.289
  655    HG   LEU  77           HG       LEU  77   9.552   9.731  -0.196
  656   HD11  LEU  77          1HD1      LEU  77   8.598   7.477   0.785
  657   HD12  LEU  77          2HD1      LEU  77   9.066   8.814   1.835
  658   HD13  LEU  77          3HD1      LEU  77  10.157   7.448   1.607
  659   HD21  LEU  77          3HD2      LEU  77  11.855   9.905  -0.397
  660   HD22  LEU  77          1HD2      LEU  77  12.120   8.205  -0.005
  661   HD23  LEU  77          2HD2      LEU  77  11.654   9.341   1.260
  662    H    THR  78           H        THR  78   7.904   7.880  -3.554
  663    HA   THR  78           HA       THR  78   8.789   5.679  -5.071
  664    HB   THR  78           HB       THR  78   6.516   5.704  -6.051
  665    HG1  THR  78           1HG      THR  78   5.800   7.688  -6.243
  666   HG21  THR  78          3HG2      THR  78   6.748   6.076  -3.089
  667   HG22  THR  78          1HG2      THR  78   6.554   4.581  -4.003
  668   HG23  THR  78          2HG2      THR  78   5.210   5.716  -3.873
  669    HA   PRO  79           HA       PRO  79  10.415   8.163  -8.472
  670    HB2  PRO  79           2HB      PRO  79  11.466   6.082  -9.862
  671    HB3  PRO  79           1HB      PRO  79  12.263   6.798  -8.455
  672    HG2  PRO  79           2HG      PRO  79  10.588   4.321  -8.629
  673    HG3  PRO  79           1HG      PRO  79  12.112   4.582  -7.760
  674    HD2  PRO  79           2HD      PRO  79   9.710   4.629  -6.519
  675    HD3  PRO  79           1HD      PRO  79  11.072   5.640  -5.995
  676    H    ARG  80           H        ARG  80   9.268   8.852 -10.159
  677    HA   ARG  80           HA       ARG  80   7.578   6.920 -11.604
  678    HB2  ARG  80           2HB      ARG  80   6.606   8.937 -10.019
  679    HB3  ARG  80           1HB      ARG  80   6.616   9.693 -11.606
  680    HG2  ARG  80           2HG      ARG  80   5.274   7.859 -12.495
  681    HG3  ARG  80           1HG      ARG  80   5.268   7.093 -10.906
  682    HD2  ARG  80           2HD      ARG  80   4.367   9.907 -11.036
  683    HD3  ARG  80           1HD      ARG  80   3.307   8.701 -11.765
  684    HE   ARG  80           HE       ARG  80   3.860   7.640  -9.344
  685   HH11  ARG  80          1HH1      ARG  80   2.699  10.772 -10.357
  686   HH12  ARG  80          2HH1      ARG  80   1.791  11.042  -8.907
  687   HH21  ARG  80          1HH2      ARG  80   2.666   7.993  -7.437
  688   HH22  ARG  80          2HH2      ARG  80   1.772   9.465  -7.249
  Start of MODEL   10
    1    H1   MET   1           1HT      MET   1 -21.206   2.054   2.788
    2    H2   MET   1           2HT      MET   1 -19.774   1.114   2.679
    3    H3   MET   1           3HT      MET   1 -19.710   2.713   3.301
    4    HA   MET   1           HA       MET   1 -21.296   1.917   5.048
    5    HB2  MET   1           2HB      MET   1 -20.387  -0.634   3.737
    6    HB3  MET   1           1HB      MET   1 -20.851  -0.609   5.434
    7    HG2  MET   1           2HG      MET   1 -22.669   0.454   3.306
    8    HG3  MET   1           1HG      MET   1 -22.612  -1.263   3.700
    9    HE1  MET   1           2HE      MET   1 -25.837  -0.723   5.420
   10    HE2  MET   1           3HE      MET   1 -24.710  -2.075   5.516
   11    HE3  MET   1           1HE      MET   1 -24.955  -1.239   3.983
   12    H    ASP   2           H        ASP   2 -18.112   1.186   3.811
   13    HA   ASP   2           HA       ASP   2 -16.949   2.003   6.347
   14    HB2  ASP   2           2HB      ASP   2 -15.397   0.026   6.341
   15    HB3  ASP   2           1HB      ASP   2 -17.075  -0.368   6.703
   16    H    ARG   3           H        ARG   3 -16.109   3.799   5.324
   17    HA   ARG   3           HA       ARG   3 -14.612   5.038   4.139
   18    HB2  ARG   3           2HB      ARG   3 -13.192   2.960   5.167
   19    HB3  ARG   3           1HB      ARG   3 -12.875   2.753   3.450
   20    HG2  ARG   3           2HG      ARG   3 -11.138   4.109   4.073
   21    HG3  ARG   3           1HG      ARG   3 -12.323   5.299   3.530
   22    HD2  ARG   3           2HD      ARG   3 -13.069   5.265   6.033
   23    HD3  ARG   3           1HD      ARG   3 -11.457   4.606   6.304
   24    HE   ARG   3           HE       ARG   3 -11.417   6.974   4.701
   25   HH11  ARG   3          1HH1      ARG   3 -11.584   5.796   7.984
   26   HH12  ARG   3          2HH1      ARG   3 -10.910   7.236   8.666
   27   HH21  ARG   3          1HH2      ARG   3 -10.529   8.868   5.597
   28   HH22  ARG   3          2HH2      ARG   3 -10.311   8.981   7.312
   29    H    LYS   4           H        LYS   4 -13.458   5.182   1.944
   30    HA   LYS   4           HA       LYS   4 -15.220   3.962  -0.067
   31    HB2  LYS   4           2HB      LYS   4 -13.514   6.446  -0.298
   32    HB3  LYS   4           1HB      LYS   4 -14.627   5.838  -1.515
   33    HG2  LYS   4           2HG      LYS   4 -16.233   7.061  -0.616
   34    HG3  LYS   4           1HG      LYS   4 -16.110   6.102   0.861
   35    HD2  LYS   4           2HD      LYS   4 -15.832   8.367   1.504
   36    HD3  LYS   4           1HD      LYS   4 -14.227   7.635   1.555
   37    HE2  LYS   4           2HE      LYS   4 -13.608   8.652  -0.501
   38    HE3  LYS   4           1HE      LYS   4 -15.266   9.160  -0.822
   39    HZ1  LYS   4           3HZ      LYS   4 -14.438  11.089  -0.013
   40    HZ2  LYS   4           1HZ      LYS   4 -13.270  10.338   0.952
   41    HZ3  LYS   4           2HZ      LYS   4 -14.881  10.396   1.464
   42    H    VAL   5           H        VAL   5 -11.833   5.000   0.347
   43    HA   VAL   5           HA       VAL   5 -10.925   3.455  -1.882
   44    HB   VAL   5           HB       VAL   5  -9.225   4.601   0.332
   45   HG11  VAL   5          1HG1      VAL   5  -7.467   3.937  -0.858
   46   HG12  VAL   5          2HG1      VAL   5  -8.125   4.639  -2.337
   47   HG13  VAL   5          3HG1      VAL   5  -8.580   3.004  -1.857
   48   HG21  VAL   5          3HG2      VAL   5 -10.924   6.049  -1.302
   49   HG22  VAL   5          1HG2      VAL   5  -9.363   6.161  -2.114
   50   HG23  VAL   5          2HG2      VAL   5  -9.523   6.676  -0.435
   51    H    ALA   6           H        ALA   6 -11.299   2.879   1.532
   52    HA   ALA   6           HA       ALA   6  -9.512   0.765   1.890
   53    HB1  ALA   6           1HB      ALA   6 -10.576   0.354   3.899
   54    HB2  ALA   6           2HB      ALA   6 -12.166   0.773   3.260
   55    HB3  ALA   6           3HB      ALA   6 -10.989   2.043   3.602
   56    H    ARG   7           H        ARG   7 -12.912   0.713   0.902
   57    HA   ARG   7           HA       ARG   7 -13.146  -2.078   0.657
   58    HB2  ARG   7           2HB      ARG   7 -15.043  -0.424   0.708
   59    HB3  ARG   7           1HB      ARG   7 -14.646  -0.012  -0.954
   60    HG2  ARG   7           2HG      ARG   7 -14.966  -2.476  -1.481
   61    HG3  ARG   7           1HG      ARG   7 -15.696  -2.609   0.119
   62    HD2  ARG   7           2HD      ARG   7 -17.210  -0.687  -0.599
   63    HD3  ARG   7           1HD      ARG   7 -16.632  -0.994  -2.236
   64    HE   ARG   7           HE       ARG   7 -18.546  -2.525  -0.782
   65   HH11  ARG   7          1HH1      ARG   7 -16.011  -2.767  -3.169
   66   HH12  ARG   7          2HH1      ARG   7 -16.672  -4.186  -3.909
   67   HH21  ARG   7          1HH2      ARG   7 -19.416  -4.391  -1.753
   68   HH22  ARG   7          2HH2      ARG   7 -18.605  -5.108  -3.105
   69    H    GLU   8           H        GLU   8 -12.393   0.429  -1.719
   70    HA   GLU   8           HA       GLU   8 -12.090  -1.294  -3.929
   71    HB2  GLU   8           2HB      GLU   8 -10.731   1.369  -3.473
   72    HB3  GLU   8           1HB      GLU   8 -10.988   0.575  -5.021
   73    HG2  GLU   8           2HG      GLU   8 -13.319   0.936  -4.928
   74    HG3  GLU   8           1HG      GLU   8 -13.249   1.410  -3.232
   75    H    PHE   9           H        PHE   9  -9.966  -0.355  -1.331
   76    HA   PHE   9           HA       PHE   9  -7.506  -1.124  -2.457
   77    HB2  PHE   9           2HB      PHE   9  -7.929   0.211  -0.314
   78    HB3  PHE   9           1HB      PHE   9  -8.185  -1.343   0.474
   79    HD1  PHE   9           2HD      PHE   9  -5.714   0.742  -1.297
   80    HD2  PHE   9           1HD      PHE   9  -6.368  -2.729   1.076
   81    HE1  PHE   9           2HE      PHE   9  -3.289   0.523  -0.957
   82    HE2  PHE   9           1HE      PHE   9  -3.943  -2.955   1.421
   83    HZ   PHE   9           HZ       PHE   9  -2.399  -1.327   0.404
   84    H    ARG  10           H        ARG  10  -9.755  -2.920  -0.357
   85    HA   ARG  10           HA       ARG  10  -8.283  -5.311  -0.290
   86    HB2  ARG  10           2HB      ARG  10 -10.537  -4.431   0.934
   87    HB3  ARG  10           1HB      ARG  10 -11.228  -5.551  -0.231
   88    HG2  ARG  10           2HG      ARG  10 -10.576  -7.320   0.944
   89    HG3  ARG  10           1HG      ARG  10  -8.938  -6.690   1.125
   90    HD2  ARG  10           2HD      ARG  10  -9.841  -5.177   2.924
   91    HD3  ARG  10           1HD      ARG  10 -11.347  -6.088   2.829
   92    HE   ARG  10           HE       ARG  10  -9.073  -7.773   3.226
   93   HH11  ARG  10          1HH1      ARG  10 -11.353  -5.691   4.853
   94   HH12  ARG  10          2HH1      ARG  10 -11.181  -6.487   6.381
   95   HH21  ARG  10          1HH2      ARG  10  -8.845  -8.822   5.235
   96   HH22  ARG  10          2HH2      ARG  10  -9.756  -8.263   6.598
   97    H    HIS  11           H        HIS  11 -10.893  -4.240  -2.441
   98    HA   HIS  11           HA       HIS  11 -11.075  -6.611  -3.948
   99    HB2  HIS  11           2HB      HIS  11 -12.021  -3.825  -4.215
  100    HB3  HIS  11           1HB      HIS  11 -11.870  -4.718  -5.724
  101    HD1  HIS  11           1HD      HIS  11 -13.510  -6.655  -6.125
  102    HD2  HIS  11           2HD      HIS  11 -14.020  -4.753  -2.467
  103    HE1  HIS  11           1HE      HIS  11 -15.707  -7.493  -5.235
  104    HE2  HIS  11           2HE      HIS  11 -15.950  -6.401  -2.977
  105    H    LYS  12           H        LYS  12  -9.382  -3.556  -4.688
  106    HA   LYS  12           HA       LYS  12  -8.225  -4.444  -7.084
  107    HB2  LYS  12           2HB      LYS  12  -6.746  -2.525  -6.910
  108    HB3  LYS  12           1HB      LYS  12  -8.384  -2.071  -6.459
  109    HG2  LYS  12           2HG      LYS  12  -7.206  -1.032  -4.812
  110    HG3  LYS  12           1HG      LYS  12  -7.511  -2.587  -4.038
  111    HD2  LYS  12           2HD      LYS  12  -5.287  -2.552  -3.669
  112    HD3  LYS  12           1HD      LYS  12  -5.201  -3.127  -5.334
  113    HE2  LYS  12           2HE      LYS  12  -4.799  -0.345  -4.289
  114    HE3  LYS  12           1HE      LYS  12  -3.682  -1.341  -5.215
  115    HZ1  LYS  12           3HZ      LYS  12  -4.580   0.296  -6.660
  116    HZ2  LYS  12           1HZ      LYS  12  -6.170  -0.059  -6.199
  117    HZ3  LYS  12           2HZ      LYS  12  -5.278  -1.182  -7.094
  118    H    VAL  13           H        VAL  13  -6.987  -4.482  -3.757
  119    HA   VAL  13           HA       VAL  13  -4.400  -5.350  -4.278
  120    HB   VAL  13           HB       VAL  13  -6.218  -5.691  -1.918
  121   HG11  VAL  13          1HG1      VAL  13  -5.032  -7.754  -1.847
  122   HG12  VAL  13          2HG1      VAL  13  -4.260  -6.675  -0.684
  123   HG13  VAL  13          3HG1      VAL  13  -3.508  -6.964  -2.251
  124   HG21  VAL  13          3HG2      VAL  13  -5.309  -3.707  -1.471
  125   HG22  VAL  13          1HG2      VAL  13  -4.131  -3.881  -2.771
  126   HG23  VAL  13          2HG2      VAL  13  -3.790  -4.551  -1.177
  127    H    ASP  14           H        ASP  14  -7.364  -7.251  -3.859
  128    HA   ASP  14           HA       ASP  14  -6.065  -9.775  -4.118
  129    HB2  ASP  14           2HB      ASP  14  -8.370  -9.233  -3.072
  130    HB3  ASP  14           1HB      ASP  14  -8.974  -9.309  -4.724
  131    H    PHE  15           H        PHE  15  -7.566  -7.531  -6.354
  132    HA   PHE  15           HA       PHE  15  -7.681  -9.287  -8.580
  133    HB2  PHE  15           2HB      PHE  15  -8.181  -6.462  -8.043
  134    HB3  PHE  15           1HB      PHE  15  -7.481  -6.730  -9.636
  135    HD1  PHE  15           1HD      PHE  15 -10.247  -7.818  -7.414
  136    HD2  PHE  15           2HD      PHE  15  -8.809  -7.448 -11.401
  137    HE1  PHE  15           1HE      PHE  15 -12.459  -8.473  -8.268
  138    HE2  PHE  15           2HE      PHE  15 -11.018  -8.100 -12.264
  139    HZ   PHE  15           HZ       PHE  15 -12.848  -8.615 -10.696
  140    H    LEU  16           H        LEU  16  -5.376  -6.723  -7.693
  141    HA   LEU  16           HA       LEU  16  -3.632  -7.248  -9.877
  142    HB2  LEU  16           2HB      LEU  16  -2.826  -5.866  -7.337
  143    HB3  LEU  16           1HB      LEU  16  -2.203  -5.613  -8.956
  144    HG   LEU  16           HG       LEU  16  -5.076  -5.022  -8.598
  145   HD11  LEU  16          1HD1      LEU  16  -4.890  -3.134  -7.306
  146   HD12  LEU  16          2HD1      LEU  16  -3.162  -2.961  -7.613
  147   HD13  LEU  16          3HD1      LEU  16  -3.741  -4.206  -6.506
  148   HD21  LEU  16          3HD2      LEU  16  -4.437  -4.351 -10.661
  149   HD22  LEU  16          1HD2      LEU  16  -2.761  -4.088 -10.177
  150   HD23  LEU  16          2HD2      LEU  16  -3.989  -2.885  -9.788
  151    H    ILE  17           H        ILE  17  -3.387  -7.902  -6.400
  152    HA   ILE  17           HA       ILE  17  -0.985  -9.409  -6.636
  153    HB   ILE  17           HB       ILE  17  -2.963  -9.512  -4.363
  154   HG12  ILE  17          2HG1      ILE  17  -2.290  -7.183  -4.919
  155   HG13  ILE  17          1HG1      ILE  17  -1.728  -7.700  -3.335
  156   HG21  ILE  17          1HG2      ILE  17  -0.295  -9.709  -3.483
  157   HG22  ILE  17          2HG2      ILE  17  -0.459 -10.802  -4.858
  158   HG23  ILE  17          3HG2      ILE  17  -1.539 -10.960  -3.471
  159   HD11  ILE  17          3HD1      ILE  17   0.437  -7.554  -3.916
  160   HD12  ILE  17          1HD1      ILE  17  -0.189  -6.447  -5.137
  161   HD13  ILE  17          2HD1      ILE  17   0.149  -8.126  -5.559
  162    H    GLU  18           H        GLU  18  -4.147 -10.551  -5.494
  163    HA   GLU  18           HA       GLU  18  -5.331 -12.449  -5.922
  164    HB2  GLU  18           2HB      GLU  18  -3.975 -11.983  -8.325
  165    HB3  GLU  18           1HB      GLU  18  -3.690 -13.679  -7.963
  166    HG2  GLU  18           2HG      GLU  18  -6.452 -12.562  -7.790
  167    HG3  GLU  18           1HG      GLU  18  -5.758 -12.974  -9.359
  168    H    ASN  19           H        ASN  19  -2.300 -12.329  -4.711
  169    HA   ASN  19           HA       ASN  19  -2.163 -15.227  -4.261
  170    HB2  ASN  19           2HB      ASN  19  -0.036 -13.107  -4.377
  171    HB3  ASN  19           1HB      ASN  19   0.250 -14.623  -3.527
  172   HD21  ASN  19          1HD2      ASN  19   1.924 -14.234  -5.453
  173   HD22  ASN  19          2HD2      ASN  19   1.548 -15.148  -6.870
  174    H    ASP  20           H        ASP  20  -1.240 -15.847  -2.104
  175    HA   ASP  20           HA       ASP  20  -2.600 -14.301  -0.037
  176    HB2  ASP  20           2HB      ASP  20  -2.550 -16.970  -0.478
  177    HB3  ASP  20           1HB      ASP  20  -1.230 -16.825   0.679
  178    H    ALA  21           H        ALA  21   0.600 -15.553  -0.827
  179    HA   ALA  21           HA       ALA  21   1.892 -14.628   1.514
  180    HB1  ALA  21           1HB      ALA  21   2.636 -16.308  -0.408
  181    HB2  ALA  21           2HB      ALA  21   3.801 -15.473   0.620
  182    HB3  ALA  21           3HB      ALA  21   3.449 -14.857  -0.995
  183    H    GLU  22           H        GLU  22   1.642 -13.283  -1.753
  184    HA   GLU  22           HA       GLU  22   3.178 -10.985  -1.320
  185    HB2  GLU  22           2HB      GLU  22   1.004 -11.683  -3.264
  186    HB3  GLU  22           1HB      GLU  22   1.654 -10.051  -3.218
  187    HG2  GLU  22           2HG      GLU  22   3.853 -11.816  -3.264
  188    HG3  GLU  22           1HG      GLU  22   2.709 -12.371  -4.485
  189    H    LYS  23           H        LYS  23  -0.293 -11.541  -0.968
  190    HA   LYS  23           HA       LYS  23  -1.050  -8.932  -0.305
  191    HB2  LYS  23           2HB      LYS  23  -2.392 -11.250  -0.678
  192    HB3  LYS  23           1HB      LYS  23  -2.471 -11.132   1.074
  193    HG2  LYS  23           2HG      LYS  23  -3.431  -8.864   0.837
  194    HG3  LYS  23           1HG      LYS  23  -3.443  -9.091  -0.914
  195    HD2  LYS  23           2HD      LYS  23  -4.903 -10.805   1.097
  196    HD3  LYS  23           1HD      LYS  23  -5.634  -9.566   0.073
  197    HE2  LYS  23           2HE      LYS  23  -4.854 -10.837  -1.916
  198    HE3  LYS  23           1HE      LYS  23  -4.291 -12.108  -0.833
  199    HZ1  LYS  23           3HZ      LYS  23  -6.748 -11.972   0.011
  200    HZ2  LYS  23           1HZ      LYS  23  -6.355 -12.880  -1.363
  201    HZ3  LYS  23           2HZ      LYS  23  -7.031 -11.338  -1.532
  202    H    ASP  24           H        ASP  24   0.182 -11.569   1.686
  203    HA   ASP  24           HA       ASP  24  -0.229 -10.301   4.186
  204    HB2  ASP  24           2HB      ASP  24   1.291 -12.655   3.200
  205    HB3  ASP  24           1HB      ASP  24   1.812 -11.964   4.734
  206    H    TYR  25           H        TYR  25   2.325 -10.193   1.802
  207    HA   TYR  25           HA       TYR  25   4.309  -8.980   3.403
  208    HB2  TYR  25           2HB      TYR  25   4.373 -10.040   0.964
  209    HB3  TYR  25           1HB      TYR  25   4.155  -8.359   0.489
  210    HD1  TYR  25           1HD      TYR  25   5.773  -6.731   2.014
  211    HD2  TYR  25           2HD      TYR  25   6.552 -10.767   0.912
  212    HE1  TYR  25           1HE      TYR  25   8.183  -6.337   2.296
  213    HE2  TYR  25           2HE      TYR  25   8.964 -10.383   1.192
  214    HH   TYR  25           HH       TYR  25  10.296  -7.252   1.573
  215    H    LEU  26           H        LEU  26   1.820  -7.639   1.262
  216    HA   LEU  26           HA       LEU  26   2.562  -4.933   1.586
  217    HB2  LEU  26           2HB      LEU  26  -0.296  -5.609   1.136
  218    HB3  LEU  26           1HB      LEU  26   0.700  -4.395   0.360
  219    HG   LEU  26           HG       LEU  26   0.583  -7.342  -0.241
  220   HD11  LEU  26          1HD1      LEU  26   0.338  -6.077  -2.589
  221   HD12  LEU  26          2HD1      LEU  26  -0.352  -4.853  -1.522
  222   HD13  LEU  26          3HD1      LEU  26  -1.035  -6.480  -1.558
  223   HD21  LEU  26          3HD2      LEU  26   2.290  -6.605  -2.063
  224   HD22  LEU  26          1HD2      LEU  26   2.858  -7.006  -0.442
  225   HD23  LEU  26          2HD2      LEU  26   2.675  -5.319  -0.920
  226    H    TYR  27           H        TYR  27   0.177  -6.957   3.224
  227    HA   TYR  27           HA       TYR  27  -0.875  -4.977   4.916
  228    HB2  TYR  27           2HB      TYR  27  -0.768  -7.974   5.035
  229    HB3  TYR  27           1HB      TYR  27  -1.407  -7.057   6.395
  230    HD1  TYR  27           2HD      TYR  27  -1.759  -6.708   2.687
  231    HD2  TYR  27           1HD      TYR  27  -3.707  -7.199   6.437
  232    HE1  TYR  27           2HE      TYR  27  -3.943  -6.573   1.564
  233    HE2  TYR  27           1HE      TYR  27  -5.895  -7.067   5.325
  234    HH   TYR  27           HH       TYR  27  -6.537  -5.817   2.669
  235    H    ASP  28           H        ASP  28   1.939  -7.050   5.192
  236    HA   ASP  28           HA       ASP  28   2.495  -6.570   7.917
  237    HB2  ASP  28           2HB      ASP  28   3.588  -8.140   5.909
  238    HB3  ASP  28           1HB      ASP  28   4.869  -6.988   6.271
  239    H    VAL  29           H        VAL  29   3.645  -5.007   4.946
  240    HA   VAL  29           HA       VAL  29   5.418  -3.196   6.152
  241    HB   VAL  29           HB       VAL  29   3.833  -2.616   3.654
  242   HG11  VAL  29          1HG1      VAL  29   5.585  -1.192   3.051
  243   HG12  VAL  29          2HG1      VAL  29   6.689  -1.902   4.228
  244   HG13  VAL  29          3HG1      VAL  29   5.356  -0.885   4.772
  245   HG21  VAL  29          3HG2      VAL  29   6.236  -3.697   2.835
  246   HG22  VAL  29          1HG2      VAL  29   4.666  -4.499   2.790
  247   HG23  VAL  29          2HG2      VAL  29   5.745  -4.749   4.162
  248    H    LEU  30           H        LEU  30   2.004  -2.823   5.238
  249    HA   LEU  30           HA       LEU  30   1.734  -0.155   6.084
  250    HB2  LEU  30           2HB      LEU  30  -0.154  -2.396   5.525
  251    HB3  LEU  30           1HB      LEU  30  -0.766  -0.969   6.339
  252    HG   LEU  30           HG       LEU  30   0.784  -0.611   3.813
  253   HD11  LEU  30          1HD1      LEU  30  -0.809  -1.371   2.416
  254   HD12  LEU  30          2HD1      LEU  30  -2.125  -0.939   3.508
  255   HD13  LEU  30          3HD1      LEU  30  -1.209  -2.423   3.774
  256   HD21  LEU  30          3HD2      LEU  30  -1.558   0.802   5.080
  257   HD22  LEU  30          1HD2      LEU  30  -0.793   1.263   3.559
  258   HD23  LEU  30          2HD2      LEU  30   0.118   1.348   5.067
  259    H    ARG  31           H        ARG  31   0.953  -3.207   7.744
  260    HA   ARG  31           HA       ARG  31  -0.017  -2.117  10.117
  261    HB2  ARG  31           2HB      ARG  31   0.222  -4.622   9.208
  262    HB3  ARG  31           1HB      ARG  31   1.608  -4.599  10.291
  263    HG2  ARG  31           2HG      ARG  31   0.077  -3.851  12.112
  264    HG3  ARG  31           1HG      ARG  31  -1.271  -4.102  11.004
  265    HD2  ARG  31           2HD      ARG  31  -0.993  -6.039  12.438
  266    HD3  ARG  31           1HD      ARG  31  -0.619  -6.458  10.766
  267    HE   ARG  31           HE       ARG  31   1.696  -5.703  12.272
  268   HH11  ARG  31          1HH1      ARG  31  -0.466  -8.340  11.531
  269   HH12  ARG  31          2HH1      ARG  31   0.705  -9.565  11.887
  270   HH21  ARG  31          1HH2      ARG  31   3.238  -7.313  12.740
  271   HH22  ARG  31          2HH2      ARG  31   2.808  -8.982  12.573
  272    H    MET  32           H        MET  32   3.283  -2.879   9.145
  273    HA   MET  32           HA       MET  32   4.416  -2.123  11.675
  274    HB2  MET  32           2HB      MET  32   5.515  -2.923   9.007
  275    HB3  MET  32           1HB      MET  32   6.577  -2.169  10.188
  276    HG2  MET  32           2HG      MET  32   5.713  -3.970  11.803
  277    HG3  MET  32           1HG      MET  32   5.141  -4.789  10.350
  278    HE1  MET  32           3HE      MET  32   9.493  -3.556  11.004
  279    HE2  MET  32           1HE      MET  32   8.602  -4.017  12.455
  280    HE3  MET  32           2HE      MET  32   8.037  -2.672  11.462
  281    H    TYR  33           H        TYR  33   3.767  -0.581   8.612
  282    HA   TYR  33           HA       TYR  33   5.415   1.679   8.891
  283    HB2  TYR  33           2HB      TYR  33   4.409   1.124   6.758
  284    HB3  TYR  33           1HB      TYR  33   2.794   1.325   7.424
  285    HD1  TYR  33           2HD      TYR  33   5.855   3.461   7.617
  286    HD2  TYR  33           1HD      TYR  33   1.795   3.133   6.388
  287    HE1  TYR  33           2HE      TYR  33   5.874   5.825   6.937
  288    HE2  TYR  33           1HE      TYR  33   1.804   5.494   5.705
  289    HH   TYR  33           HH       TYR  33   3.979   7.181   4.949
  290    H    HIS  34           H        HIS  34   2.273   0.885  10.194
  291    HA   HIS  34           HA       HIS  34   1.584   3.517  11.027
  292    HB2  HIS  34           2HB      HIS  34  -0.027   1.600  10.709
  293    HB3  HIS  34           1HB      HIS  34   0.591   0.918  12.209
  294    HD1  HIS  34           1HD      HIS  34  -0.920   1.407  14.089
  295    HD2  HIS  34           2HD      HIS  34  -0.863   4.509  11.325
  296    HE1  HIS  34           1HE      HIS  34  -2.492   3.146  14.999
  297    HE2  HIS  34           2HE      HIS  34  -2.507   4.976  13.266
  298    H    GLN  35           H        GLN  35   2.987   0.718  12.705
  299    HA   GLN  35           HA       GLN  35   3.267   2.106  15.191
  300    HB2  GLN  35           2HB      GLN  35   4.696   0.110  15.795
  301    HB3  GLN  35           1HB      GLN  35   3.044  -0.255  15.317
  302    HG2  GLN  35           2HG      GLN  35   3.718  -1.072  13.220
  303    HG3  GLN  35           1HG      GLN  35   5.331  -0.381  13.382
  304   HE21  GLN  35          1HE2      GLN  35   6.339  -2.349  13.031
  305   HE22  GLN  35          2HE2      GLN  35   6.338  -3.612  14.209
  306    H    THR  36           H        THR  36   5.376   1.399  12.466
  307    HA   THR  36           HA       THR  36   7.721   2.469  13.741
  308    HB   THR  36           HB       THR  36   8.804   2.132  11.577
  309    HG1  THR  36           1HG      THR  36   7.418   2.578  10.015
  310   HG21  THR  36          3HG2      THR  36   7.445   0.046  12.990
  311   HG22  THR  36          1HG2      THR  36   9.004   0.015  12.165
  312   HG23  THR  36          2HG2      THR  36   7.525  -0.330  11.268
  313    H    MET  37           H        MET  37   5.415   3.578  11.296
  314    HA   MET  37           HA       MET  37   4.922   5.645  10.488
  315    HB2  MET  37           2HB      MET  37   5.164   6.011  13.138
  316    HB3  MET  37           1HB      MET  37   6.467   7.059  12.590
  317    HG2  MET  37           2HG      MET  37   5.061   8.588  11.736
  318    HG3  MET  37           1HG      MET  37   3.915   7.375  11.169
  319    HE1  MET  37           3HE      MET  37   1.650   6.573  13.895
  320    HE2  MET  37           1HE      MET  37   2.304   6.292  12.281
  321    HE3  MET  37           2HE      MET  37   1.251   7.676  12.577
  322    H    ASP  38           H        ASP  38   7.068   4.419   9.318
  323    HA   ASP  38           HA       ASP  38   8.817   6.707   8.713
  324    HB2  ASP  38           2HB      ASP  38   9.563   3.851   9.248
  325    HB3  ASP  38           1HB      ASP  38  10.559   4.835   8.180
  326    H    VAL  39           H        VAL  39   8.070   7.353   6.783
  327    HA   VAL  39           HA       VAL  39   6.845   5.762   4.845
  328    HB   VAL  39           HB       VAL  39   8.415   8.273   4.266
  329   HG11  VAL  39          1HG1      VAL  39   7.382   6.727   2.436
  330   HG12  VAL  39          2HG1      VAL  39   7.175   8.474   2.333
  331   HG13  VAL  39          3HG1      VAL  39   5.863   7.466   2.941
  332   HG21  VAL  39          3HG2      VAL  39   7.079   9.236   5.794
  333   HG22  VAL  39          1HG2      VAL  39   5.961   7.874   5.823
  334   HG23  VAL  39          2HG2      VAL  39   5.835   9.091   4.552
  335    H    ALA  40           H        ALA  40  10.218   6.401   5.474
  336    HA   ALA  40           HA       ALA  40  11.316   5.621   3.020
  337    HB1  ALA  40           1HB      ALA  40  12.578   5.209   5.724
  338    HB2  ALA  40           2HB      ALA  40  12.530   6.760   4.884
  339    HB3  ALA  40           3HB      ALA  40  13.396   5.397   4.172
  340    H    VAL  41           H        VAL  41  10.498   3.721   5.897
  341    HA   VAL  41           HA       VAL  41  11.467   1.257   4.825
  342    HB   VAL  41           HB       VAL  41   9.484   1.626   7.071
  343   HG11  VAL  41          1HG1      VAL  41  10.181  -0.676   5.843
  344   HG12  VAL  41          2HG1      VAL  41   9.714  -0.565   7.541
  345   HG13  VAL  41          3HG1      VAL  41  11.420  -0.589   7.093
  346   HG21  VAL  41          3HG2      VAL  41  11.124   2.205   8.495
  347   HG22  VAL  41          1HG2      VAL  41  11.978   2.708   7.037
  348   HG23  VAL  41          2HG2      VAL  41  12.295   1.123   7.742
  349    H    LEU  42           H        LEU  42   8.348   2.870   4.941
  350    HA   LEU  42           HA       LEU  42   6.760   0.711   4.079
  351    HB2  LEU  42           2HB      LEU  42   5.766   2.670   5.080
  352    HB3  LEU  42           1HB      LEU  42   6.372   3.689   3.790
  353    HG   LEU  42           HG       LEU  42   4.915   2.158   2.253
  354   HD11  LEU  42          1HD1      LEU  42   3.716   1.694   4.974
  355   HD12  LEU  42          2HD1      LEU  42   4.277   0.487   3.818
  356   HD13  LEU  42          3HD1      LEU  42   2.841   1.447   3.464
  357   HD21  LEU  42          3HD2      LEU  42   3.365   3.830   2.207
  358   HD22  LEU  42          1HD2      LEU  42   4.638   4.642   3.118
  359   HD23  LEU  42          2HD2      LEU  42   3.260   3.934   3.964
  360    H    VAL  43           H        VAL  43   8.162   3.423   2.241
  361    HA   VAL  43           HA       VAL  43   7.289   2.563  -0.288
  362    HB   VAL  43           HB       VAL  43   9.777   4.179   0.271
  363   HG11  VAL  43          1HG1      VAL  43   9.678   4.909  -1.918
  364   HG12  VAL  43          2HG1      VAL  43   7.971   4.505  -2.089
  365   HG13  VAL  43          3HG1      VAL  43   9.183   3.225  -2.075
  366   HG21  VAL  43          3HG2      VAL  43   7.207   4.809   1.092
  367   HG22  VAL  43          1HG2      VAL  43   7.402   5.696  -0.420
  368   HG23  VAL  43          2HG2      VAL  43   8.551   5.934   0.895
  369    H    GLY  44           H        GLY  44  10.251   1.904   1.523
  370    HA2  GLY  44           2HA      GLY  44  11.724   0.650  -0.491
  371    HA3  GLY  44           1HA      GLY  44  11.890   0.325   1.227
  372    H    ASP  45           H        ASP  45   9.860  -0.997   2.068
  373    HA   ASP  45           HA       ASP  45  10.070  -3.556   0.965
  374    HB2  ASP  45           2HB      ASP  45   7.877  -2.451   2.731
  375    HB3  ASP  45           1HB      ASP  45   8.204  -4.158   2.453
  376    H    LEU  46           H        LEU  46   7.374  -1.234   0.762
  377    HA   LEU  46           HA       LEU  46   5.666  -2.738  -0.824
  378    HB2  LEU  46           2HB      LEU  46   6.066   0.186  -0.394
  379    HB3  LEU  46           1HB      LEU  46   5.012  -0.331  -1.698
  380    HG   LEU  46           HG       LEU  46   4.646  -1.232   1.154
  381   HD11  LEU  46          1HD1      LEU  46   4.444   1.343   0.489
  382   HD12  LEU  46          2HD1      LEU  46   3.359   0.566   1.642
  383   HD13  LEU  46          3HD1      LEU  46   2.849   0.796  -0.031
  384   HD21  LEU  46          3HD2      LEU  46   2.777  -2.289   0.458
  385   HD22  LEU  46          1HD2      LEU  46   3.635  -2.323  -1.083
  386   HD23  LEU  46          2HD2      LEU  46   2.420  -1.080  -0.776
  387    H    LYS  47           H        LYS  47   8.547  -0.988  -1.700
  388    HA   LYS  47           HA       LYS  47   8.031  -0.951  -4.512
  389    HB2  LYS  47           2HB      LYS  47  10.237  -0.185  -2.717
  390    HB3  LYS  47           1HB      LYS  47  10.744  -0.721  -4.313
  391    HG2  LYS  47           2HG      LYS  47   8.839   0.946  -5.080
  392    HG3  LYS  47           1HG      LYS  47   9.199   1.680  -3.516
  393    HD2  LYS  47           2HD      LYS  47  11.593   0.996  -5.031
  394    HD3  LYS  47           1HD      LYS  47  10.549   2.143  -5.874
  395    HE2  LYS  47           2HE      LYS  47  10.483   3.365  -3.583
  396    HE3  LYS  47           1HE      LYS  47  11.929   2.421  -3.233
  397    HZ1  LYS  47           3HZ      LYS  47  12.550   4.541  -4.131
  398    HZ2  LYS  47           1HZ      LYS  47  11.562   4.319  -5.487
  399    HZ3  LYS  47           2HZ      LYS  47  12.927   3.346  -5.267
  400    H    LEU  48           H        LEU  48  10.188  -2.895  -2.450
  401    HA   LEU  48           HA       LEU  48  11.228  -4.568  -4.395
  402    HB2  LEU  48           2HB      LEU  48  10.535  -5.375  -1.574
  403    HB3  LEU  48           1HB      LEU  48  11.733  -6.122  -2.614
  404    HG   LEU  48           HG       LEU  48  12.143  -3.247  -2.120
  405   HD11  LEU  48          1HD1      LEU  48  13.316  -4.315   0.119
  406   HD12  LEU  48          2HD1      LEU  48  11.740  -5.107   0.084
  407   HD13  LEU  48          3HD1      LEU  48  11.842  -3.347   0.088
  408   HD21  LEU  48          3HD2      LEU  48  14.094  -5.475  -1.694
  409   HD22  LEU  48          1HD2      LEU  48  14.386  -3.819  -2.225
  410   HD23  LEU  48          2HD2      LEU  48  13.638  -4.977  -3.323
  411    H    VAL  49           H        VAL  49   8.119  -4.700  -2.783
  412    HA   VAL  49           HA       VAL  49   7.497  -7.273  -3.995
  413    HB   VAL  49           HB       VAL  49   6.825  -6.444  -1.607
  414   HG11  VAL  49          1HG1      VAL  49   4.496  -5.418  -3.211
  415   HG12  VAL  49          2HG1      VAL  49   5.658  -4.424  -2.332
  416   HG13  VAL  49          3HG1      VAL  49   4.590  -5.518  -1.454
  417   HG21  VAL  49          3HG2      VAL  49   4.934  -7.984  -1.614
  418   HG22  VAL  49          1HG2      VAL  49   6.284  -8.627  -2.552
  419   HG23  VAL  49          2HG2      VAL  49   4.891  -7.926  -3.378
  420    H    ILE  50           H        ILE  50   6.332  -3.932  -4.104
  421    HA   ILE  50           HA       ILE  50   4.572  -4.566  -6.341
  422    HB   ILE  50           HB       ILE  50   5.017  -1.857  -5.090
  423   HG12  ILE  50          2HG1      ILE  50   3.047  -4.031  -4.354
  424   HG13  ILE  50          1HG1      ILE  50   4.300  -3.343  -3.329
  425   HG21  ILE  50          1HG2      ILE  50   2.384  -2.334  -6.107
  426   HG22  ILE  50          2HG2      ILE  50   3.576  -2.701  -7.353
  427   HG23  ILE  50          3HG2      ILE  50   3.560  -1.113  -6.589
  428   HD11  ILE  50          3HD1      ILE  50   1.780  -2.026  -4.287
  429   HD12  ILE  50          1HD1      ILE  50   3.098  -1.151  -3.504
  430   HD13  ILE  50          2HD1      ILE  50   2.243  -2.422  -2.631
  431    H    ASN  51           H        ASN  51   7.625  -4.492  -6.480
  432    HA   ASN  51           HA       ASN  51   8.440  -2.290  -8.015
  433    HB2  ASN  51           2HB      ASN  51   9.521  -4.892  -7.273
  434    HB3  ASN  51           1HB      ASN  51   9.987  -4.426  -8.907
  435   HD21  ASN  51          1HD2      ASN  51  11.509  -4.649  -6.368
  436   HD22  ASN  51          2HD2      ASN  51  12.291  -3.120  -6.177
  437    H    GLU  52           H        GLU  52   6.982  -5.361  -8.919
  438    HA   GLU  52           HA       GLU  52   7.326  -5.350 -11.646
  439    HB2  GLU  52           2HB      GLU  52   5.648  -6.694  -9.754
  440    HB3  GLU  52           1HB      GLU  52   4.686  -6.259 -11.161
  441    HG2  GLU  52           2HG      GLU  52   7.227  -7.870 -11.142
  442    HG3  GLU  52           1HG      GLU  52   5.594  -8.469 -11.433
  443    HA   PRO  53           HA       PRO  53   5.493  -1.434 -12.874
  444    HB2  PRO  53           2HB      PRO  53   5.239  -3.081 -15.361
  445    HB3  PRO  53           1HB      PRO  53   5.793  -1.413 -15.173
  446    HG2  PRO  53           2HG      PRO  53   7.536  -3.406 -15.512
  447    HG3  PRO  53           1HG      PRO  53   7.888  -2.051 -14.425
  448    HD2  PRO  53           2HD      PRO  53   7.188  -4.858 -13.775
  449    HD3  PRO  53           1HD      PRO  53   8.127  -3.681 -12.837
  450    H    SER  54           H        SER  54   4.060  -4.611 -13.395
  451    HA   SER  54           HA       SER  54   1.485  -3.704 -14.149
  452    HB2  SER  54           2HB      SER  54   2.668  -6.294 -13.280
  453    HB3  SER  54           1HB      SER  54   0.916  -6.125 -13.172
  454    HG   SER  54           HG       SER  54   0.800  -5.837 -15.335
  455    H    ARG  55           H        ARG  55   3.046  -4.224 -11.077
  456    HA   ARG  55           HA       ARG  55   0.563  -3.933  -9.592
  457    HB2  ARG  55           2HB      ARG  55   3.409  -4.227  -8.616
  458    HB3  ARG  55           1HB      ARG  55   1.972  -4.265  -7.603
  459    HG2  ARG  55           2HG      ARG  55   1.256  -6.317  -8.533
  460    HG3  ARG  55           1HG      ARG  55   2.445  -6.220  -9.835
  461    HD2  ARG  55           2HD      ARG  55   4.221  -6.723  -8.420
  462    HD3  ARG  55           1HD      ARG  55   3.323  -6.272  -6.973
  463    HE   ARG  55           HE       ARG  55   2.503  -8.400  -6.869
  464   HH11  ARG  55          1HH1      ARG  55   3.756  -7.850 -10.079
  465   HH12  ARG  55          2HH1      ARG  55   3.557  -9.497 -10.575
  466   HH21  ARG  55          1HH2      ARG  55   2.242 -10.568  -7.519
  467   HH22  ARG  55          2HH2      ARG  55   2.697 -11.040  -9.123
  468    H    LEU  56           H        LEU  56   2.580  -1.810 -11.086
  469    HA   LEU  56           HA       LEU  56   3.174   0.144  -9.206
  470    HB2  LEU  56           2HB      LEU  56   2.677   0.189 -12.148
  471    HB3  LEU  56           1HB      LEU  56   2.823   1.711 -11.290
  472    HG   LEU  56           HG       LEU  56   4.921  -0.457 -11.237
  473   HD11  LEU  56          1HD1      LEU  56   4.697   2.005 -12.956
  474   HD12  LEU  56          2HD1      LEU  56   4.770   0.326 -13.489
  475   HD13  LEU  56          3HD1      LEU  56   6.181   1.076 -12.744
  476   HD21  LEU  56          3HD2      LEU  56   6.340   1.452 -10.445
  477   HD22  LEU  56          1HD2      LEU  56   5.089   0.935  -9.313
  478   HD23  LEU  56          2HD2      LEU  56   4.860   2.396 -10.275
  479    HA   PRO  57           HA       PRO  57  -1.223   2.110 -10.421
  480    HB2  PRO  57           2HB      PRO  57  -2.621  -0.517 -10.572
  481    HB3  PRO  57           1HB      PRO  57  -2.923   0.972 -11.472
  482    HG2  PRO  57           2HG      PRO  57  -1.702  -1.088 -12.630
  483    HG3  PRO  57           1HG      PRO  57  -1.195   0.578 -12.965
  484    HD2  PRO  57           2HD      PRO  57   0.109  -1.495 -11.261
  485    HD3  PRO  57           1HD      PRO  57   0.844  -0.240 -12.277
  486    H    LEU  58           H        LEU  58  -0.504  -0.718  -8.507
  487    HA   LEU  58           HA       LEU  58  -2.544  -0.646  -6.629
  488    HB2  LEU  58           2HB      LEU  58  -0.378  -2.192  -6.995
  489    HB3  LEU  58           1HB      LEU  58   0.183  -1.237  -5.636
  490    HG   LEU  58           HG       LEU  58  -2.415  -2.764  -5.606
  491   HD11  LEU  58          1HD1      LEU  58  -0.013  -3.736  -4.160
  492   HD12  LEU  58          2HD1      LEU  58  -0.130  -4.057  -5.889
  493   HD13  LEU  58          3HD1      LEU  58  -1.391  -4.630  -4.798
  494   HD21  LEU  58          3HD2      LEU  58  -2.119  -0.869  -4.013
  495   HD22  LEU  58          1HD2      LEU  58  -0.724  -1.717  -3.344
  496   HD23  LEU  58          2HD2      LEU  58  -2.330  -2.439  -3.237
  497    H    PHE  59           H        PHE  59   0.543   1.100  -6.627
  498    HA   PHE  59           HA       PHE  59   0.467   2.287  -4.148
  499    HB2  PHE  59           2HB      PHE  59   1.481   3.352  -6.782
  500    HB3  PHE  59           1HB      PHE  59   1.727   4.197  -5.258
  501    HD1  PHE  59           2HD      PHE  59   2.661   2.558  -3.331
  502    HD2  PHE  59           1HD      PHE  59   3.214   2.057  -7.521
  503    HE1  PHE  59           2HE      PHE  59   4.667   1.199  -2.900
  504    HE2  PHE  59           1HE      PHE  59   5.220   0.697  -7.098
  505    HZ   PHE  59           HZ       PHE  59   5.949   0.267  -4.785
  506    H    ASP  60           H        ASP  60  -1.418   3.080  -6.974
  507    HA   ASP  60           HA       ASP  60  -2.254   5.647  -6.390
  508    HB2  ASP  60           2HB      ASP  60  -2.817   3.898  -8.360
  509    HB3  ASP  60           1HB      ASP  60  -4.324   3.818  -7.454
  510    H    ALA  61           H        ALA  61  -3.937   2.643  -5.541
  511    HA   ALA  61           HA       ALA  61  -5.839   3.951  -3.870
  512    HB1  ALA  61           1HB      ALA  61  -6.899   2.011  -4.028
  513    HB2  ALA  61           2HB      ALA  61  -5.566   1.157  -3.250
  514    HB3  ALA  61           3HB      ALA  61  -5.552   1.412  -4.995
  515    H    ILE  62           H        ILE  62  -2.616   2.889  -3.344
  516    HA   ILE  62           HA       ILE  62  -2.846   2.416  -0.533
  517    HB   ILE  62           HB       ILE  62  -0.380   3.004  -2.176
  518   HG12  ILE  62          2HG1      ILE  62  -1.343   0.330  -1.168
  519   HG13  ILE  62          1HG1      ILE  62  -1.773   0.946  -2.760
  520   HG21  ILE  62          1HG2      ILE  62   0.606   1.634  -0.154
  521   HG22  ILE  62          2HG2      ILE  62  -0.798   2.294   0.684
  522   HG23  ILE  62          3HG2      ILE  62   0.382   3.380  -0.049
  523   HD11  ILE  62          3HD1      ILE  62   0.533  -0.471  -1.998
  524   HD12  ILE  62          1HD1      ILE  62   1.044   1.162  -2.422
  525   HD13  ILE  62          2HD1      ILE  62   0.133   0.193  -3.581
  526    H    ARG  63           H        ARG  63  -2.213   5.228  -2.520
  527    HA   ARG  63           HA       ARG  63  -1.119   6.870  -0.496
  528    HB2  ARG  63           2HB      ARG  63  -2.744   8.145  -2.638
  529    HB3  ARG  63           1HB      ARG  63  -1.164   8.586  -2.012
  530    HG2  ARG  63           2HG      ARG  63  -0.289   6.508  -3.188
  531    HG3  ARG  63           1HG      ARG  63  -1.845   6.467  -4.022
  532    HD2  ARG  63           2HD      ARG  63  -1.263   9.002  -4.479
  533    HD3  ARG  63           1HD      ARG  63   0.386   8.423  -4.244
  534    HE   ARG  63           HE       ARG  63  -0.567   6.648  -6.005
  535   HH11  ARG  63          1HH1      ARG  63  -0.698  10.138  -5.954
  536   HH12  ARG  63          2HH1      ARG  63  -0.723  10.286  -7.679
  537   HH21  ARG  63          1HH2      ARG  63  -0.598   6.844  -8.272
  538   HH22  ARG  63          2HH2      ARG  63  -0.667   8.417  -8.994
  539    HA   PRO  64           HA       PRO  64  -5.842   8.600  -0.293
  540    HB2  PRO  64           2HB      PRO  64  -6.860   5.789  -0.500
  541    HB3  PRO  64           1HB      PRO  64  -7.662   7.306  -0.929
  542    HG2  PRO  64           2HG      PRO  64  -6.574   5.763  -2.807
  543    HG3  PRO  64           1HG      PRO  64  -6.475   7.530  -2.903
  544    HD2  PRO  64           2HD      PRO  64  -4.367   5.554  -2.262
  545    HD3  PRO  64           1HD      PRO  64  -4.223   7.170  -2.970
  546    H    LEU  65           H        LEU  65  -5.240   5.265   0.865
  547    HA   LEU  65           HA       LEU  65  -6.387   5.699   3.405
  548    HB2  LEU  65           2HB      LEU  65  -5.609   3.554   3.988
  549    HB3  LEU  65           1HB      LEU  65  -6.014   3.483   2.285
  550    HG   LEU  65           HG       LEU  65  -3.321   4.133   2.275
  551   HD11  LEU  65          1HD1      LEU  65  -2.587   3.623   4.336
  552   HD12  LEU  65          2HD1      LEU  65  -2.679   1.963   3.747
  553   HD13  LEU  65          3HD1      LEU  65  -3.998   2.632   4.708
  554   HD21  LEU  65          3HD2      LEU  65  -4.384   2.619   0.732
  555   HD22  LEU  65          1HD2      LEU  65  -4.684   1.456   2.024
  556   HD23  LEU  65          2HD2      LEU  65  -3.032   1.798   1.513
  557    H    ILE  66           H        ILE  66  -3.279   6.465   2.130
  558    HA   ILE  66           HA       ILE  66  -1.991   6.634   4.706
  559    HB   ILE  66           HB       ILE  66  -1.064   6.377   2.113
  560   HG12  ILE  66          2HG1      ILE  66   1.151   7.140   3.644
  561   HG13  ILE  66          1HG1      ILE  66  -0.007   6.497   4.804
  562   HG21  ILE  66          1HG2      ILE  66  -0.150   9.072   3.092
  563   HG22  ILE  66          2HG2      ILE  66  -1.347   8.833   1.821
  564   HG23  ILE  66          3HG2      ILE  66   0.305   8.263   1.592
  565   HD11  ILE  66          3HD1      ILE  66  -0.093   4.657   2.776
  566   HD12  ILE  66          1HD1      ILE  66   0.826   4.508   4.274
  567   HD13  ILE  66          2HD1      ILE  66   1.606   5.127   2.818
  568    HA   PRO  67           HA       PRO  67  -3.099  10.678   6.038
  569    HB2  PRO  67           2HB      PRO  67  -0.162  11.150   6.306
  570    HB3  PRO  67           1HB      PRO  67  -1.456  11.414   7.482
  571    HG2  PRO  67           2HG      PRO  67   0.145   9.310   7.709
  572    HG3  PRO  67           1HG      PRO  67  -1.591   9.161   8.037
  573    HD2  PRO  67           2HD      PRO  67  -0.026   8.262   5.661
  574    HD3  PRO  67           1HD      PRO  67  -1.426   7.500   6.445
  575    H    LEU  68           H        LEU  68  -3.032  12.884   5.430
  576    HA   LEU  68           HA       LEU  68  -2.886  13.427   2.734
  577    HB2  LEU  68           2HB      LEU  68  -2.253  15.866   4.039
  578    HB3  LEU  68           1HB      LEU  68  -3.789  15.350   3.376
  579    HG   LEU  68           HG       LEU  68  -4.263  14.248   5.601
  580   HD11  LEU  68          1HD1      LEU  68  -1.873  14.199   6.326
  581   HD12  LEU  68          2HD1      LEU  68  -2.980  14.882   7.515
  582   HD13  LEU  68          3HD1      LEU  68  -1.960  15.946   6.546
  583   HD21  LEU  68          3HD2      LEU  68  -5.042  16.545   4.793
  584   HD22  LEU  68          1HD2      LEU  68  -3.816  17.200   5.879
  585   HD23  LEU  68          2HD2      LEU  68  -5.127  16.211   6.523
  586    H    LYS  69           H        LYS  69  -0.573  14.906   5.010
  587    HA   LYS  69           HA       LYS  69   1.313  15.656   3.144
  588    HB2  LYS  69           2HB      LYS  69   2.956  15.575   5.042
  589    HB3  LYS  69           1HB      LYS  69   1.484  16.476   5.381
  590    HG2  LYS  69           2HG      LYS  69   1.118  13.748   6.152
  591    HG3  LYS  69           1HG      LYS  69   2.613  14.366   6.859
  592    HD2  LYS  69           2HD      LYS  69  -0.025  15.815   7.017
  593    HD3  LYS  69           1HD      LYS  69   0.543  14.691   8.254
  594    HE2  LYS  69           2HE      LYS  69   2.699  16.205   8.149
  595    HE3  LYS  69           1HE      LYS  69   1.557  17.394   7.524
  596    HZ1  LYS  69           3HZ      LYS  69   1.946  17.321  10.024
  597    HZ2  LYS  69           1HZ      LYS  69   1.013  15.908  10.019
  598    HZ3  LYS  69           2HZ      LYS  69   0.342  17.369   9.491
  599    H    HIS  70           H        HIS  70   0.792  12.525   4.607
  600    HA   HIS  70           HA       HIS  70   3.237  11.331   3.856
  601    HB2  HIS  70           2HB      HIS  70   0.529  10.238   4.574
  602    HB3  HIS  70           1HB      HIS  70   1.832   9.171   4.059
  603    HD1  HIS  70           1HD      HIS  70   1.929   8.064   6.396
  604    HD2  HIS  70           2HD      HIS  70   2.723  12.142   6.408
  605    HE1  HIS  70           1HE      HIS  70   2.901   8.553   8.663
  606    HE2  HIS  70           2HE      HIS  70   3.461  11.009   8.613
  607    H    GLN  71           H        GLN  71   0.167  11.749   2.192
  608    HA   GLN  71           HA       GLN  71   0.590   9.983   0.060
  609    HB2  GLN  71           2HB      GLN  71  -1.120  12.372   0.512
  610    HB3  GLN  71           1HB      GLN  71  -0.893  11.847  -1.149
  611    HG2  GLN  71           2HG      GLN  71  -1.542   9.509  -0.201
  612    HG3  GLN  71           1HG      GLN  71  -2.244  10.454   1.111
  613   HE21  GLN  71          1HE2      GLN  71  -3.290  12.592  -0.086
  614   HE22  GLN  71          2HE2      GLN  71  -4.511  12.140  -1.221
  615    H    VAL  72           H        VAL  72   1.242  13.459   0.286
  616    HA   VAL  72           HA       VAL  72   2.362  13.814  -2.240
  617    HB   VAL  72           HB       VAL  72   3.224  15.286   0.250
  618   HG11  VAL  72          1HG1      VAL  72   3.959  16.988  -1.139
  619   HG12  VAL  72          2HG1      VAL  72   2.977  16.441  -2.499
  620   HG13  VAL  72          3HG1      VAL  72   4.418  15.538  -2.035
  621   HG21  VAL  72          3HG2      VAL  72   1.017  15.732   0.444
  622   HG22  VAL  72          1HG2      VAL  72   0.675  15.313  -1.235
  623   HG23  VAL  72          2HG2      VAL  72   1.359  16.891  -0.841
  624    H    GLU  73           H        GLU  73   3.995  13.132   0.856
  625    HA   GLU  73           HA       GLU  73   6.596  12.994  -0.220
  626    HB2  GLU  73           2HB      GLU  73   6.018  13.231   2.215
  627    HB3  GLU  73           1HB      GLU  73   5.574  11.530   2.218
  628    HG2  GLU  73           2HG      GLU  73   7.764  10.825   1.937
  629    HG3  GLU  73           1HG      GLU  73   8.289  12.387   1.315
  630    H    TYR  74           H        TYR  74   4.088  10.550   0.234
  631    HA   TYR  74           HA       TYR  74   5.561   8.262  -0.324
  632    HB2  TYR  74           2HB      TYR  74   3.079   8.482   0.353
  633    HB3  TYR  74           1HB      TYR  74   2.763   8.668  -1.369
  634    HD1  TYR  74           2HD      TYR  74   5.119   6.426   0.463
  635    HD2  TYR  74           1HD      TYR  74   1.725   6.723  -2.085
  636    HE1  TYR  74           2HE      TYR  74   5.100   3.979   0.213
  637    HE2  TYR  74           1HE      TYR  74   1.696   4.277  -2.342
  638    HH   TYR  74           HH       TYR  74   4.286   2.286  -1.270
  639    H    ASP  75           H        ASP  75   4.093  10.619  -2.475
  640    HA   ASP  75           HA       ASP  75   4.774   9.253  -4.888
  641    HB2  ASP  75           2HB      ASP  75   3.610  11.885  -4.158
  642    HB3  ASP  75           1HB      ASP  75   4.412  11.786  -5.722
  643    H    GLN  76           H        GLN  76   6.328  11.611  -2.817
  644    HA   GLN  76           HA       GLN  76   8.319  12.467  -4.631
  645    HB2  GLN  76           2HB      GLN  76   7.897  12.598  -1.696
  646    HB3  GLN  76           1HB      GLN  76   9.544  12.822  -2.270
  647    HG2  GLN  76           2HG      GLN  76   7.694  14.383  -3.828
  648    HG3  GLN  76           1HG      GLN  76   7.532  14.737  -2.109
  649   HE21  GLN  76          1HE2      GLN  76   9.212  15.428  -4.896
  650   HE22  GLN  76          2HE2      GLN  76  10.575  16.230  -4.199
  651    H    LEU  77           H        LEU  77   8.036   9.671  -2.560
  652    HA   LEU  77           HA       LEU  77  10.807   8.910  -2.997
  653    HB2  LEU  77           2HB      LEU  77   8.564   7.703  -1.398
  654    HB3  LEU  77           1HB      LEU  77  10.097   6.884  -1.624
  655    HG   LEU  77           HG       LEU  77  10.119   9.666  -0.545
  656   HD11  LEU  77          1HD1      LEU  77   9.940   7.496   1.441
  657   HD12  LEU  77          2HD1      LEU  77   8.435   7.930   0.630
  658   HD13  LEU  77          3HD1      LEU  77   9.348   9.156   1.512
  659   HD21  LEU  77          3HD2      LEU  77  11.924   8.276   0.855
  660   HD22  LEU  77          1HD2      LEU  77  12.275   9.000  -0.713
  661   HD23  LEU  77          2HD2      LEU  77  11.872   7.287  -0.605
  662    H    THR  78           H        THR  78   7.567   7.844  -3.879
  663    HA   THR  78           HA       THR  78   8.492   5.558  -5.349
  664    HB   THR  78           HB       THR  78   6.094   5.532  -6.188
  665    HG1  THR  78           1HG      THR  78   4.686   6.977  -5.347
  666   HG21  THR  78          3HG2      THR  78   6.252   5.692  -3.197
  667   HG22  THR  78          1HG2      THR  78   6.866   4.324  -4.125
  668   HG23  THR  78          2HG2      THR  78   5.150   4.732  -4.185
  669    HA   PRO  79           HA       PRO  79   9.431   7.018  -9.387
  670    HB2  PRO  79           2HB      PRO  79   7.052   5.515 -10.388
  671    HB3  PRO  79           1HB      PRO  79   8.721   5.494 -10.970
  672    HG2  PRO  79           2HG      PRO  79   7.781   3.488  -9.500
  673    HG3  PRO  79           1HG      PRO  79   9.435   4.083  -9.271
  674    HD2  PRO  79           2HD      PRO  79   7.021   4.494  -7.575
  675    HD3  PRO  79           1HD      PRO  79   8.723   4.345  -7.099
  676    H    ARG  80           H        ARG  80   9.030   8.914 -10.335
  677    HA   ARG  80           HA       ARG  80   6.254   9.904 -10.376
  678    HB2  ARG  80           2HB      ARG  80   8.198  10.983  -8.850
  679    HB3  ARG  80           1HB      ARG  80   8.454  11.886 -10.337
  680    HG2  ARG  80           2HG      ARG  80   5.702  11.663  -9.216
  681    HG3  ARG  80           1HG      ARG  80   6.849  12.796  -8.502
  682    HD2  ARG  80           2HD      ARG  80   7.113  13.950 -10.570
  683    HD3  ARG  80           1HD      ARG  80   6.220  12.707 -11.445
  684    HE   ARG  80           HE       ARG  80   4.421  13.604  -9.633
  685   HH11  ARG  80          1HH1      ARG  80   6.441  15.201 -11.991
  686   HH12  ARG  80          2HH1      ARG  80   5.327  16.503 -12.246
  687   HH21  ARG  80          1HH2      ARG  80   2.957  15.317  -9.967
  688   HH22  ARG  80          2HH2      ARG  80   3.351  16.570 -11.096
  Start of MODEL   11
    1    H1   MET   1           1HT      MET   1 -13.451   5.813  10.579
    2    H2   MET   1           2HT      MET   1 -11.837   5.428  10.143
    3    H3   MET   1           3HT      MET   1 -13.069   5.452   8.949
    4    HA   MET   1           HA       MET   1 -13.389   7.842   9.567
    5    HB2  MET   1           2HB      MET   1 -11.827   7.309  11.629
    6    HB3  MET   1           1HB      MET   1 -10.545   7.674  10.482
    7    HG2  MET   1           2HG      MET   1 -12.159   9.795  10.090
    8    HG3  MET   1           1HG      MET   1 -12.487   9.454  11.788
    9    HE1  MET   1           2HE      MET   1  -9.992  12.195  10.245
   10    HE2  MET   1           3HE      MET   1 -10.479  12.477  11.916
   11    HE3  MET   1           1HE      MET   1 -11.664  11.924  10.734
   12    H    ASP   2           H        ASP   2 -13.477   7.951   7.358
   13    HA   ASP   2           HA       ASP   2 -12.772   8.316   5.226
   14    HB2  ASP   2           2HB      ASP   2 -11.165   9.848   6.765
   15    HB3  ASP   2           1HB      ASP   2  -9.958   8.822   5.995
   16    H    ARG   3           H        ARG   3 -12.569   5.655   6.377
   17    HA   ARG   3           HA       ARG   3 -10.248   4.549   4.964
   18    HB2  ARG   3           2HB      ARG   3 -11.973   3.590   7.204
   19    HB3  ARG   3           1HB      ARG   3 -11.189   2.395   6.181
   20    HG2  ARG   3           2HG      ARG   3  -9.015   3.549   6.665
   21    HG3  ARG   3           1HG      ARG   3  -9.881   4.513   7.864
   22    HD2  ARG   3           2HD      ARG   3 -10.559   2.435   9.004
   23    HD3  ARG   3           1HD      ARG   3  -9.624   1.507   7.831
   24    HE   ARG   3           HE       ARG   3  -7.707   2.086   8.945
   25   HH11  ARG   3          1HH1      ARG   3 -10.316   4.128  10.040
   26   HH12  ARG   3          2HH1      ARG   3  -9.400   4.817  11.337
   27   HH21  ARG   3          1HH2      ARG   3  -6.499   2.991  10.652
   28   HH22  ARG   3          2HH2      ARG   3  -7.233   4.173  11.684
   29    H    LYS   4           H        LYS   4 -12.328   5.524   3.380
   30    HA   LYS   4           HA       LYS   4 -14.060   3.361   2.607
   31    HB2  LYS   4           2HB      LYS   4 -14.695   4.904   0.741
   32    HB3  LYS   4           1HB      LYS   4 -14.907   5.586   2.349
   33    HG2  LYS   4           2HG      LYS   4 -13.375   7.191   2.011
   34    HG3  LYS   4           1HG      LYS   4 -12.302   6.126   1.105
   35    HD2  LYS   4           2HD      LYS   4 -13.209   6.687  -0.888
   36    HD3  LYS   4           1HD      LYS   4 -14.840   6.813  -0.226
   37    HE2  LYS   4           2HE      LYS   4 -13.890   8.938   0.953
   38    HE3  LYS   4           1HE      LYS   4 -12.662   8.856  -0.310
   39    HZ1  LYS   4           3HZ      LYS   4 -14.650   8.706  -1.890
   40    HZ2  LYS   4           1HZ      LYS   4 -14.297  10.212  -1.205
   41    HZ3  LYS   4           2HZ      LYS   4 -15.569   9.282  -0.591
   42    H    VAL   5           H        VAL   5 -11.002   4.687   1.545
   43    HA   VAL   5           HA       VAL   5 -10.932   3.273  -0.942
   44    HB   VAL   5           HB       VAL   5  -8.583   4.419   0.572
   45   HG11  VAL   5          1HG1      VAL   5  -8.088   4.723  -2.090
   46   HG12  VAL   5          2HG1      VAL   5  -8.951   3.186  -2.058
   47   HG13  VAL   5          3HG1      VAL   5  -7.489   3.395  -1.096
   48   HG21  VAL   5          3HG2      VAL   5  -9.037   6.510  -0.193
   49   HG22  VAL   5          1HG2      VAL   5 -10.692   5.915  -0.078
   50   HG23  VAL   5          2HG2      VAL   5  -9.865   5.925  -1.636
   51    H    ALA   6           H        ALA   6 -10.075   2.540   2.340
   52    HA   ALA   6           HA       ALA   6  -8.198   0.519   1.983
   53    HB1  ALA   6           1HB      ALA   6  -8.419   0.147   4.198
   54    HB2  ALA   6           2HB      ALA   6 -10.179   0.079   4.118
   55    HB3  ALA   6           3HB      ALA   6  -9.358   1.640   4.136
   56    H    ARG   7           H        ARG   7 -11.726   0.357   1.949
   57    HA   ARG   7           HA       ARG   7 -11.889  -2.456   1.657
   58    HB2  ARG   7           2HB      ARG   7 -13.699  -0.564   2.240
   59    HB3  ARG   7           1HB      ARG   7 -14.045  -0.763   0.527
   60    HG2  ARG   7           2HG      ARG   7 -13.956  -3.346   1.333
   61    HG3  ARG   7           1HG      ARG   7 -14.576  -2.558   2.785
   62    HD2  ARG   7           2HD      ARG   7 -15.735  -2.471   0.005
   63    HD3  ARG   7           1HD      ARG   7 -16.442  -3.212   1.441
   64    HE   ARG   7           HE       ARG   7 -16.510  -0.433   0.705
   65   HH11  ARG   7          1HH1      ARG   7 -16.720  -2.701   3.351
   66   HH12  ARG   7          2HH1      ARG   7 -17.622  -1.625   4.365
   67   HH21  ARG   7          1HH2      ARG   7 -17.699   0.981   2.038
   68   HH22  ARG   7          2HH2      ARG   7 -18.178   0.464   3.620
   69    H    GLU   8           H        GLU   8 -12.298   0.170  -0.691
   70    HA   GLU   8           HA       GLU   8 -12.582  -1.423  -2.965
   71    HB2  GLU   8           2HB      GLU   8 -12.913   1.131  -2.652
   72    HB3  GLU   8           1HB      GLU   8 -11.203   1.244  -3.047
   73    HG2  GLU   8           2HG      GLU   8 -11.757  -0.072  -5.146
   74    HG3  GLU   8           1HG      GLU   8 -13.449   0.249  -4.767
   75    H    PHE   9           H        PHE   9  -9.729  -0.338  -1.255
   76    HA   PHE   9           HA       PHE   9  -7.814  -0.958  -3.229
   77    HB2  PHE   9           2HB      PHE   9  -7.274   0.447  -1.303
   78    HB3  PHE   9           1HB      PHE   9  -7.544  -0.909  -0.214
   79    HD1  PHE   9           1HD      PHE   9  -5.731  -0.845  -3.456
   80    HD2  PHE   9           2HD      PHE   9  -5.474  -1.270   0.771
   81    HE1  PHE   9           1HE      PHE   9  -3.362  -1.481  -3.666
   82    HE2  PHE   9           2HE      PHE   9  -3.105  -1.905   0.569
   83    HZ   PHE   9           HZ       PHE   9  -2.047  -2.011  -1.652
   84    H    ARG  10           H        ARG  10  -8.917  -2.816  -0.396
   85    HA   ARG  10           HA       ARG  10  -7.397  -5.101  -0.787
   86    HB2  ARG  10           2HB      ARG  10  -8.928  -4.480   1.177
   87    HB3  ARG  10           1HB      ARG  10 -10.230  -5.180   0.226
   88    HG2  ARG  10           2HG      ARG  10  -9.254  -7.330   0.292
   89    HG3  ARG  10           1HG      ARG  10  -7.728  -6.694   0.911
   90    HD2  ARG  10           2HD      ARG  10  -8.466  -6.655   3.031
   91    HD3  ARG  10           1HD      ARG  10 -10.058  -6.059   2.567
   92    HE   ARG  10           HE       ARG  10  -9.610  -8.821   1.903
   93   HH11  ARG  10          1HH1      ARG  10 -10.668  -6.604   4.383
   94   HH12  ARG  10          2HH1      ARG  10 -11.624  -7.789   5.209
   95   HH21  ARG  10          1HH2      ARG  10 -10.867 -10.380   2.992
   96   HH22  ARG  10          2HH2      ARG  10 -11.736  -9.930   4.421
   97    H    HIS  11           H        HIS  11 -10.551  -4.251  -2.153
   98    HA   HIS  11           HA       HIS  11 -11.083  -6.698  -3.415
   99    HB2  HIS  11           2HB      HIS  11 -11.957  -3.881  -4.056
  100    HB3  HIS  11           1HB      HIS  11 -12.551  -5.288  -4.931
  101    HD1  HIS  11           1HD      HIS  11 -12.792  -7.112  -2.327
  102    HD2  HIS  11           2HD      HIS  11 -14.375  -3.305  -2.836
  103    HE1  HIS  11           1HE      HIS  11 -14.702  -6.957  -0.700
  104    HE2  HIS  11           2HE      HIS  11 -15.584  -4.610  -0.960
  105    H    LYS  12           H        LYS  12  -9.659  -3.720  -4.774
  106    HA   LYS  12           HA       LYS  12  -9.143  -4.769  -7.322
  107    HB2  LYS  12           2HB      LYS  12  -7.577  -2.887  -7.582
  108    HB3  LYS  12           1HB      LYS  12  -9.115  -2.377  -6.900
  109    HG2  LYS  12           2HG      LYS  12  -8.185  -2.150  -4.737
  110    HG3  LYS  12           1HG      LYS  12  -6.695  -2.961  -5.222
  111    HD2  LYS  12           2HD      LYS  12  -7.424  -0.567  -6.777
  112    HD3  LYS  12           1HD      LYS  12  -6.969  -0.288  -5.095
  113    HE2  LYS  12           2HE      LYS  12  -4.813  -0.904  -5.433
  114    HE3  LYS  12           1HE      LYS  12  -5.237  -2.115  -6.640
  115    HZ1  LYS  12           3HZ      LYS  12  -5.860   0.109  -7.948
  116    HZ2  LYS  12           1HZ      LYS  12  -4.327  -0.606  -8.019
  117    HZ3  LYS  12           2HZ      LYS  12  -4.604   0.700  -6.982
  118    H    VAL  13           H        VAL  13  -7.149  -4.682  -4.394
  119    HA   VAL  13           HA       VAL  13  -4.740  -5.576  -5.418
  120    HB   VAL  13           HB       VAL  13  -5.957  -6.311  -2.750
  121   HG11  VAL  13          1HG1      VAL  13  -4.190  -7.735  -2.764
  122   HG12  VAL  13          2HG1      VAL  13  -3.330  -6.279  -2.272
  123   HG13  VAL  13          3HG1      VAL  13  -3.299  -6.793  -3.958
  124   HG21  VAL  13          3HG2      VAL  13  -3.872  -4.274  -2.807
  125   HG22  VAL  13          1HG2      VAL  13  -5.435  -4.275  -1.990
  126   HG23  VAL  13          2HG2      VAL  13  -5.326  -3.805  -3.687
  127    H    ASP  14           H        ASP  14  -7.424  -7.555  -4.158
  128    HA   ASP  14           HA       ASP  14  -6.252 -10.047  -4.753
  129    HB2  ASP  14           2HB      ASP  14  -8.636  -9.142  -3.572
  130    HB3  ASP  14           1HB      ASP  14  -9.140 -10.126  -4.943
  131    H    PHE  15           H        PHE  15  -8.139  -7.788  -6.636
  132    HA   PHE  15           HA       PHE  15  -8.717  -9.522  -8.808
  133    HB2  PHE  15           2HB      PHE  15  -9.283  -6.837  -8.081
  134    HB3  PHE  15           1HB      PHE  15  -8.543  -6.796  -9.677
  135    HD1  PHE  15           2HD      PHE  15 -10.763  -9.373  -8.178
  136    HD2  PHE  15           1HD      PHE  15 -10.290  -6.337 -11.123
  137    HE1  PHE  15           2HE      PHE  15 -12.911 -10.021  -9.185
  138    HE2  PHE  15           1HE      PHE  15 -12.440  -6.981 -12.136
  139    HZ   PHE  15           HZ       PHE  15 -13.753  -8.827 -11.167
  140    H    LEU  16           H        LEU  16  -6.102  -7.247  -8.129
  141    HA   LEU  16           HA       LEU  16  -4.824  -7.751 -10.675
  142    HB2  LEU  16           2HB      LEU  16  -3.566  -6.307  -8.366
  143    HB3  LEU  16           1HB      LEU  16  -3.266  -6.098 -10.081
  144    HG   LEU  16           HG       LEU  16  -6.019  -5.476  -9.255
  145   HD11  LEU  16          1HD1      LEU  16  -3.672  -3.968  -8.147
  146   HD12  LEU  16          2HD1      LEU  16  -5.095  -4.573  -7.299
  147   HD13  LEU  16          3HD1      LEU  16  -5.242  -3.206  -8.403
  148   HD21  LEU  16          3HD2      LEU  16  -4.560  -5.048 -11.460
  149   HD22  LEU  16          1HD2      LEU  16  -4.263  -3.529 -10.612
  150   HD23  LEU  16          2HD2      LEU  16  -5.914  -4.023 -10.983
  151    H    ILE  17           H        ILE  17  -3.664  -7.993  -7.328
  152    HA   ILE  17           HA       ILE  17  -1.575  -9.802  -8.008
  153    HB   ILE  17           HB       ILE  17  -2.698  -9.256  -5.262
  154   HG12  ILE  17          2HG1      ILE  17  -0.539  -7.802  -6.806
  155   HG13  ILE  17          1HG1      ILE  17  -2.104  -7.151  -6.330
  156   HG21  ILE  17          1HG2      ILE  17  -1.157 -10.678  -4.541
  157   HG22  ILE  17          2HG2      ILE  17   0.103  -9.687  -5.272
  158   HG23  ILE  17          3HG2      ILE  17  -0.647 -10.986  -6.199
  159   HD11  ILE  17          3HD1      ILE  17  -1.425  -7.454  -3.955
  160   HD12  ILE  17          1HD1      ILE  17  -0.451  -6.289  -4.853
  161   HD13  ILE  17          2HD1      ILE  17   0.181  -7.903  -4.530
  162    H    GLU  18           H        GLU  18  -4.307 -10.303  -5.795
  163    HA   GLU  18           HA       GLU  18  -5.717 -12.077  -5.501
  164    HB2  GLU  18           2HB      GLU  18  -5.437 -12.215  -8.099
  165    HB3  GLU  18           1HB      GLU  18  -4.436 -13.613  -7.728
  166    HG2  GLU  18           2HG      GLU  18  -6.503 -14.324  -6.289
  167    HG3  GLU  18           1HG      GLU  18  -7.362 -13.223  -7.363
  168    H    ASN  19           H        ASN  19  -2.479 -12.065  -5.078
  169    HA   ASN  19           HA       ASN  19  -2.280 -14.836  -4.185
  170    HB2  ASN  19           2HB      ASN  19  -0.472 -13.241  -5.470
  171    HB3  ASN  19           1HB      ASN  19   0.045 -13.072  -3.796
  172   HD21  ASN  19          1HD2      ASN  19   1.845 -14.173  -5.278
  173   HD22  ASN  19          2HD2      ASN  19   1.925 -15.888  -5.088
  174    H    ASP  20           H        ASP  20  -2.357 -15.410  -2.100
  175    HA   ASP  20           HA       ASP  20  -3.119 -13.529  -0.118
  176    HB2  ASP  20           2HB      ASP  20  -2.281 -16.426   0.069
  177    HB3  ASP  20           1HB      ASP  20  -2.844 -15.490   1.450
  178    H    ALA  21           H        ALA  21  -0.079 -15.007  -1.025
  179    HA   ALA  21           HA       ALA  21   1.388 -14.293   1.287
  180    HB1  ALA  21           1HB      ALA  21   2.559 -15.861   0.148
  181    HB2  ALA  21           2HB      ALA  21   3.318 -14.436  -0.561
  182    HB3  ALA  21           3HB      ALA  21   2.026 -15.272  -1.426
  183    H    GLU  22           H        GLU  22   0.999 -12.742  -1.869
  184    HA   GLU  22           HA       GLU  22   2.707 -10.559  -1.374
  185    HB2  GLU  22           2HB      GLU  22   0.305 -10.564  -3.202
  186    HB3  GLU  22           1HB      GLU  22   1.736  -9.548  -3.326
  187    HG2  GLU  22           2HG      GLU  22   2.272 -12.428  -3.379
  188    HG3  GLU  22           1HG      GLU  22   1.320 -11.825  -4.734
  189    H    LYS  23           H        LYS  23  -0.740 -11.046  -0.839
  190    HA   LYS  23           HA       LYS  23  -1.301  -8.372  -0.060
  191    HB2  LYS  23           2HB      LYS  23  -2.726 -10.983   0.081
  192    HB3  LYS  23           1HB      LYS  23  -3.291  -9.689   1.129
  193    HG2  LYS  23           2HG      LYS  23  -3.560  -8.240  -0.839
  194    HG3  LYS  23           1HG      LYS  23  -3.054  -9.579  -1.871
  195    HD2  LYS  23           2HD      LYS  23  -5.324  -9.951   0.036
  196    HD3  LYS  23           1HD      LYS  23  -5.593  -9.105  -1.489
  197    HE2  LYS  23           2HE      LYS  23  -5.442 -10.992  -2.697
  198    HE3  LYS  23           1HE      LYS  23  -4.085 -11.601  -1.752
  199    HZ1  LYS  23           3HZ      LYS  23  -6.972 -11.907  -1.257
  200    HZ2  LYS  23           1HZ      LYS  23  -5.881 -12.006   0.033
  201    HZ3  LYS  23           2HZ      LYS  23  -5.760 -13.086  -1.264
  202    H    ASP  24           H        ASP  24  -0.146 -11.204   1.626
  203    HA   ASP  24           HA       ASP  24  -0.608 -10.192   4.258
  204    HB2  ASP  24           2HB      ASP  24   0.810 -12.523   3.071
  205    HB3  ASP  24           1HB      ASP  24   1.306 -12.023   4.685
  206    H    TYR  25           H        TYR  25   1.987 -10.007   1.932
  207    HA   TYR  25           HA       TYR  25   3.978  -9.027   3.707
  208    HB2  TYR  25           2HB      TYR  25   3.852  -9.796   1.008
  209    HB3  TYR  25           1HB      TYR  25   4.337  -8.104   0.989
  210    HD1  TYR  25           2HD      TYR  25   5.177 -11.344   2.637
  211    HD2  TYR  25           1HD      TYR  25   6.574  -7.563   1.275
  212    HE1  TYR  25           2HE      TYR  25   7.483 -12.008   3.176
  213    HE2  TYR  25           1HE      TYR  25   8.883  -8.216   1.810
  214    HH   TYR  25           HH       TYR  25  10.073  -9.780   3.230
  215    H    LEU  26           H        LEU  26   1.807  -7.430   1.386
  216    HA   LEU  26           HA       LEU  26   2.668  -4.804   1.964
  217    HB2  LEU  26           2HB      LEU  26   0.893  -4.060   0.624
  218    HB3  LEU  26           1HB      LEU  26   1.366  -5.600  -0.065
  219    HG   LEU  26           HG       LEU  26  -0.569  -6.528   1.458
  220   HD11  LEU  26          1HD1      LEU  26  -1.419  -4.799   2.655
  221   HD12  LEU  26          2HD1      LEU  26  -2.412  -4.631   1.206
  222   HD13  LEU  26          3HD1      LEU  26  -1.000  -3.599   1.430
  223   HD21  LEU  26          3HD2      LEU  26  -2.126  -6.213  -0.421
  224   HD22  LEU  26          1HD2      LEU  26  -0.520  -6.706  -0.956
  225   HD23  LEU  26          2HD2      LEU  26  -1.025  -5.024  -1.114
  226    H    TYR  27           H        TYR  27   0.248  -6.895   3.396
  227    HA   TYR  27           HA       TYR  27  -1.050  -4.890   4.934
  228    HB2  TYR  27           2HB      TYR  27  -1.181  -7.785   4.648
  229    HB3  TYR  27           1HB      TYR  27  -1.381  -7.279   6.321
  230    HD1  TYR  27           2HD      TYR  27  -2.734  -6.864   2.900
  231    HD2  TYR  27           1HD      TYR  27  -3.393  -6.282   7.062
  232    HE1  TYR  27           2HE      TYR  27  -5.081  -6.296   2.442
  233    HE2  TYR  27           1HE      TYR  27  -5.744  -5.714   6.615
  234    HH   TYR  27           HH       TYR  27  -6.918  -4.779   3.855
  235    H    ASP  28           H        ASP  28   1.688  -7.014   5.490
  236    HA   ASP  28           HA       ASP  28   1.983  -6.451   8.258
  237    HB2  ASP  28           2HB      ASP  28   3.794  -7.616   6.159
  238    HB3  ASP  28           1HB      ASP  28   4.389  -7.284   7.781
  239    H    VAL  29           H        VAL  29   3.276  -5.012   5.317
  240    HA   VAL  29           HA       VAL  29   5.167  -3.312   6.545
  241    HB   VAL  29           HB       VAL  29   3.700  -2.798   3.955
  242   HG11  VAL  29          1HG1      VAL  29   5.370  -1.131   5.279
  243   HG12  VAL  29          2HG1      VAL  29   5.180  -1.158   3.526
  244   HG13  VAL  29          3HG1      VAL  29   6.518  -2.026   4.282
  245   HG21  VAL  29          3HG2      VAL  29   6.375  -3.995   3.841
  246   HG22  VAL  29          1HG2      VAL  29   4.931  -4.347   2.891
  247   HG23  VAL  29          2HG2      VAL  29   5.126  -5.054   4.496
  248    H    LEU  30           H        LEU  30   1.797  -2.789   5.552
  249    HA   LEU  30           HA       LEU  30   1.661  -0.077   6.310
  250    HB2  LEU  30           2HB      LEU  30  -0.333  -2.222   5.749
  251    HB3  LEU  30           1HB      LEU  30  -0.888  -0.757   6.536
  252    HG   LEU  30           HG       LEU  30   0.592  -0.782   3.906
  253   HD11  LEU  30          1HD1      LEU  30  -1.337  -0.981   2.760
  254   HD12  LEU  30          2HD1      LEU  30  -2.279  -0.133   3.986
  255   HD13  LEU  30          3HD1      LEU  30  -1.865  -1.831   4.213
  256   HD21  LEU  30          3HD2      LEU  30   0.843   1.367   4.571
  257   HD22  LEU  30          1HD2      LEU  30  -0.530   1.303   5.674
  258   HD23  LEU  30          2HD2      LEU  30  -0.798   1.503   3.944
  259    H    ARG  31           H        ARG  31   0.808  -3.057   8.036
  260    HA   ARG  31           HA       ARG  31  -0.234  -1.907  10.350
  261    HB2  ARG  31           2HB      ARG  31   0.233  -4.468   9.469
  262    HB3  ARG  31           1HB      ARG  31   1.352  -4.329  10.818
  263    HG2  ARG  31           2HG      ARG  31  -1.472  -3.461  11.190
  264    HG3  ARG  31           1HG      ARG  31  -1.093  -5.184  11.178
  265    HD2  ARG  31           2HD      ARG  31   0.469  -3.289  12.891
  266    HD3  ARG  31           1HD      ARG  31  -1.092  -3.901  13.427
  267    HE   ARG  31           HE       ARG  31  -0.189  -6.053  13.579
  268   HH11  ARG  31          1HH1      ARG  31   2.196  -3.735  12.498
  269   HH12  ARG  31          2HH1      ARG  31   3.535  -4.778  12.830
  270   HH21  ARG  31          1HH2      ARG  31   1.577  -7.418  14.012
  271   HH22  ARG  31          2HH2      ARG  31   3.186  -6.866  13.687
  272    H    MET  32           H        MET  32   3.092  -2.618   9.452
  273    HA   MET  32           HA       MET  32   4.138  -1.755  12.001
  274    HB2  MET  32           2HB      MET  32   5.449  -2.568   9.408
  275    HB3  MET  32           1HB      MET  32   6.362  -2.022  10.808
  276    HG2  MET  32           2HG      MET  32   4.413  -4.252  11.118
  277    HG3  MET  32           1HG      MET  32   5.978  -4.565  10.370
  278    HE1  MET  32           3HE      MET  32   8.388  -4.728  12.079
  279    HE2  MET  32           1HE      MET  32   8.419  -3.286  13.094
  280    HE3  MET  32           2HE      MET  32   7.993  -3.154  11.387
  281    H    TYR  33           H        TYR  33   3.604  -0.414   8.828
  282    HA   TYR  33           HA       TYR  33   5.288   1.825   8.981
  283    HB2  TYR  33           2HB      TYR  33   4.290   1.161   6.878
  284    HB3  TYR  33           1HB      TYR  33   2.672   1.434   7.514
  285    HD1  TYR  33           2HD      TYR  33   5.845   3.410   7.314
  286    HD2  TYR  33           1HD      TYR  33   1.645   3.300   6.652
  287    HE1  TYR  33           2HE      TYR  33   5.919   5.727   6.493
  288    HE2  TYR  33           1HE      TYR  33   1.709   5.615   5.830
  289    HH   TYR  33           HH       TYR  33   3.416   7.158   4.799
  290    H    HIS  34           H        HIS  34   2.105   1.197  10.289
  291    HA   HIS  34           HA       HIS  34   1.504   3.903  10.957
  292    HB2  HIS  34           2HB      HIS  34   0.031   1.628  10.831
  293    HB3  HIS  34           1HB      HIS  34   0.266   1.758  12.570
  294    HD1  HIS  34           1HD      HIS  34  -1.173   3.406  13.794
  295    HD2  HIS  34           2HD      HIS  34  -1.307   3.924   9.673
  296    HE1  HIS  34           1HE      HIS  34  -2.985   5.102  13.388
  297    HE2  HIS  34           2HE      HIS  34  -2.978   5.475  10.896
  298    H    GLN  35           H        GLN  35   2.826   1.153  12.763
  299    HA   GLN  35           HA       GLN  35   3.050   2.607  15.214
  300    HB2  GLN  35           2HB      GLN  35   4.514   0.078  14.463
  301    HB3  GLN  35           1HB      GLN  35   4.150   0.662  16.082
  302    HG2  GLN  35           2HG      GLN  35   1.837   0.207  14.312
  303    HG3  GLN  35           1HG      GLN  35   2.727  -1.224  14.826
  304   HE21  GLN  35          1HE2      GLN  35   0.432   1.105  15.673
  305   HE22  GLN  35          2HE2      GLN  35   0.224   0.658  17.328
  306    H    THR  36           H        THR  36   5.275   1.718  12.626
  307    HA   THR  36           HA       THR  36   7.546   2.919  13.915
  308    HB   THR  36           HB       THR  36   8.732   2.411  11.830
  309    HG1  THR  36           1HG      THR  36   7.710   1.940  10.036
  310   HG21  THR  36          3HG2      THR  36   7.688   0.527  13.532
  311   HG22  THR  36          1HG2      THR  36   8.925   0.254  12.304
  312   HG23  THR  36          2HG2      THR  36   7.231  -0.066  11.933
  313    H    MET  37           H        MET  37   5.339   3.795  11.299
  314    HA   MET  37           HA       MET  37   4.857   5.786  10.314
  315    HB2  MET  37           2HB      MET  37   4.969   6.424  12.867
  316    HB3  MET  37           1HB      MET  37   6.425   7.280  12.376
  317    HG2  MET  37           2HG      MET  37   5.284   8.859  11.238
  318    HG3  MET  37           1HG      MET  37   4.017   7.742  10.737
  319    HE1  MET  37           3HE      MET  37   2.185   7.091  11.773
  320    HE2  MET  37           1HE      MET  37   1.365   8.645  11.918
  321    HE3  MET  37           2HE      MET  37   1.503   7.585  13.322
  322    H    ASP  38           H        ASP  38   7.102   4.384   9.408
  323    HA   ASP  38           HA       ASP  38   8.907   6.581   8.625
  324    HB2  ASP  38           2HB      ASP  38   9.466   3.673   9.160
  325    HB3  ASP  38           1HB      ASP  38  10.543   4.635   8.153
  326    H    VAL  39           H        VAL  39   8.253   7.227   6.665
  327    HA   VAL  39           HA       VAL  39   6.918   5.620   4.779
  328    HB   VAL  39           HB       VAL  39   8.512   8.105   4.156
  329   HG11  VAL  39          1HG1      VAL  39   6.751   8.381   2.408
  330   HG12  VAL  39          2HG1      VAL  39   6.164   6.770   2.821
  331   HG13  VAL  39          3HG1      VAL  39   7.791   6.976   2.174
  332   HG21  VAL  39          3HG2      VAL  39   5.983   8.998   4.423
  333   HG22  VAL  39          1HG2      VAL  39   7.183   9.055   5.713
  334   HG23  VAL  39          2HG2      VAL  39   6.004   7.745   5.663
  335    H    ALA  40           H        ALA  40  10.313   6.312   5.308
  336    HA   ALA  40           HA       ALA  40  11.356   5.419   2.872
  337    HB1  ALA  40           1HB      ALA  40  12.940   4.819   5.287
  338    HB2  ALA  40           2HB      ALA  40  12.435   6.498   5.089
  339    HB3  ALA  40           3HB      ALA  40  13.382   5.707   3.828
  340    H    VAL  41           H        VAL  41  10.566   3.644   5.829
  341    HA   VAL  41           HA       VAL  41  11.549   1.139   4.871
  342    HB   VAL  41           HB       VAL  41   9.560   1.600   7.095
  343   HG11  VAL  41          1HG1      VAL  41   9.802  -0.567   7.664
  344   HG12  VAL  41          2HG1      VAL  41  11.507  -0.603   7.219
  345   HG13  VAL  41          3HG1      VAL  41  10.268  -0.754   5.975
  346   HG21  VAL  41          3HG2      VAL  41  12.051   2.689   7.014
  347   HG22  VAL  41          1HG2      VAL  41  12.372   1.140   7.793
  348   HG23  VAL  41          2HG2      VAL  41  11.194   2.251   8.492
  349    H    LEU  42           H        LEU  42   8.405   2.718   4.952
  350    HA   LEU  42           HA       LEU  42   6.845   0.516   4.158
  351    HB2  LEU  42           2HB      LEU  42   5.917   2.591   5.105
  352    HB3  LEU  42           1HB      LEU  42   6.371   3.454   3.647
  353    HG   LEU  42           HG       LEU  42   4.858   1.666   2.464
  354   HD11  LEU  42          1HD1      LEU  42   3.218   1.776   4.907
  355   HD12  LEU  42          2HD1      LEU  42   4.601   0.683   4.954
  356   HD13  LEU  42          3HD1      LEU  42   3.375   0.503   3.698
  357   HD21  LEU  42          3HD2      LEU  42   2.984   3.180   2.631
  358   HD22  LEU  42          1HD2      LEU  42   4.482   4.106   2.546
  359   HD23  LEU  42          2HD2      LEU  42   3.658   3.903   4.092
  360    H    VAL  43           H        VAL  43   8.214   3.180   2.228
  361    HA   VAL  43           HA       VAL  43   7.352   2.223  -0.271
  362    HB   VAL  43           HB       VAL  43   9.827   3.876   0.236
  363   HG11  VAL  43          1HG1      VAL  43   8.075   3.411  -2.158
  364   HG12  VAL  43          2HG1      VAL  43   9.821   3.212  -2.011
  365   HG13  VAL  43          3HG1      VAL  43   9.118   4.827  -2.024
  366   HG21  VAL  43          3HG2      VAL  43   7.076   4.495   0.771
  367   HG22  VAL  43          1HG2      VAL  43   7.689   5.535  -0.515
  368   HG23  VAL  43          2HG2      VAL  43   8.515   5.479   1.040
  369    H    GLY  44           H        GLY  44  10.309   1.651   1.578
  370    HA2  GLY  44           2HA      GLY  44  11.835   0.353  -0.347
  371    HA3  GLY  44           1HA      GLY  44  11.928   0.038   1.379
  372    H    ASP  45           H        ASP  45   9.856  -1.271   2.142
  373    HA   ASP  45           HA       ASP  45  10.092  -3.832   1.019
  374    HB2  ASP  45           2HB      ASP  45   7.867  -2.750   2.762
  375    HB3  ASP  45           1HB      ASP  45   8.223  -4.452   2.483
  376    H    LEU  46           H        LEU  46   7.516  -1.405   0.733
  377    HA   LEU  46           HA       LEU  46   5.759  -2.867  -0.856
  378    HB2  LEU  46           2HB      LEU  46   6.282   0.062  -0.520
  379    HB3  LEU  46           1HB      LEU  46   5.140  -0.489  -1.732
  380    HG   LEU  46           HG       LEU  46   4.961  -0.946   1.247
  381   HD11  LEU  46          1HD1      LEU  46   3.261   0.665  -0.652
  382   HD12  LEU  46          2HD1      LEU  46   4.373   1.310   0.556
  383   HD13  LEU  46          3HD1      LEU  46   2.938   0.419   1.064
  384   HD21  LEU  46          3HD2      LEU  46   3.306  -2.001  -1.030
  385   HD22  LEU  46          1HD2      LEU  46   2.698  -1.897   0.622
  386   HD23  LEU  46          2HD2      LEU  46   4.099  -2.906   0.259
  387    H    LYS  47           H        LYS  47   8.698  -1.176  -1.688
  388    HA   LYS  47           HA       LYS  47   8.248  -1.185  -4.512
  389    HB2  LYS  47           2HB      LYS  47   9.796   0.381  -3.281
  390    HB3  LYS  47           1HB      LYS  47  10.900  -0.972  -3.084
  391    HG2  LYS  47           2HG      LYS  47  10.761  -1.171  -5.649
  392    HG3  LYS  47           1HG      LYS  47  10.112   0.468  -5.583
  393    HD2  LYS  47           2HD      LYS  47  12.554  -0.003  -4.003
  394    HD3  LYS  47           1HD      LYS  47  12.746  -0.113  -5.753
  395    HE2  LYS  47           2HE      LYS  47  11.677   2.106  -5.970
  396    HE3  LYS  47           1HE      LYS  47  11.607   2.215  -4.212
  397    HZ1  LYS  47           3HZ      LYS  47  13.610   3.182  -5.657
  398    HZ2  LYS  47           1HZ      LYS  47  14.216   1.632  -5.352
  399    HZ3  LYS  47           2HZ      LYS  47  13.798   2.645  -4.064
  400    H    LEU  48           H        LEU  48  10.134  -3.206  -2.285
  401    HA   LEU  48           HA       LEU  48  11.318  -4.889  -4.157
  402    HB2  LEU  48           2HB      LEU  48  10.357  -5.680  -1.408
  403    HB3  LEU  48           1HB      LEU  48  11.604  -6.476  -2.349
  404    HG   LEU  48           HG       LEU  48  11.981  -3.601  -1.646
  405   HD11  LEU  48          1HD1      LEU  48  11.280  -5.275   0.356
  406   HD12  LEU  48          2HD1      LEU  48  12.380  -3.908   0.545
  407   HD13  LEU  48          3HD1      LEU  48  13.025  -5.533   0.307
  408   HD21  LEU  48          3HD2      LEU  48  13.652  -5.970  -2.322
  409   HD22  LEU  48          1HD2      LEU  48  14.350  -4.699  -1.318
  410   HD23  LEU  48          2HD2      LEU  48  13.740  -4.315  -2.926
  411    H    VAL  49           H        VAL  49   8.108  -5.000  -2.709
  412    HA   VAL  49           HA       VAL  49   7.484  -7.501  -4.047
  413    HB   VAL  49           HB       VAL  49   6.672  -6.677  -1.691
  414   HG11  VAL  49          1HG1      VAL  49   4.441  -5.720  -1.695
  415   HG12  VAL  49          2HG1      VAL  49   4.488  -5.591  -3.453
  416   HG13  VAL  49          3HG1      VAL  49   5.594  -4.632  -2.470
  417   HG21  VAL  49          3HG2      VAL  49   4.507  -7.962  -3.265
  418   HG22  VAL  49          1HG2      VAL  49   5.186  -8.411  -1.701
  419   HG23  VAL  49          2HG2      VAL  49   6.074  -8.765  -3.183
  420    H    ILE  50           H        ILE  50   6.453  -4.116  -4.169
  421    HA   ILE  50           HA       ILE  50   4.775  -4.626  -6.486
  422    HB   ILE  50           HB       ILE  50   5.403  -1.961  -5.217
  423   HG12  ILE  50          2HG1      ILE  50   3.144  -3.895  -4.651
  424   HG13  ILE  50          1HG1      ILE  50   4.430  -3.438  -3.540
  425   HG21  ILE  50          1HG2      ILE  50   3.946  -2.716  -7.544
  426   HG22  ILE  50          2HG2      ILE  50   4.198  -1.108  -6.871
  427   HG23  ILE  50          3HG2      ILE  50   2.816  -2.073  -6.354
  428   HD11  ILE  50          3HD1      ILE  50   2.279  -1.630  -4.612
  429   HD12  ILE  50          1HD1      ILE  50   3.589  -1.136  -3.538
  430   HD13  ILE  50          2HD1      ILE  50   2.381  -2.296  -2.983
  431    H    ASN  51           H        ASN  51   7.895  -4.684  -6.403
  432    HA   ASN  51           HA       ASN  51   8.927  -2.630  -7.965
  433    HB2  ASN  51           2HB      ASN  51  10.616  -4.401  -8.707
  434    HB3  ASN  51           1HB      ASN  51  10.482  -4.111  -6.975
  435   HD21  ASN  51          1HD2      ASN  51  11.616  -6.328  -7.327
  436   HD22  ASN  51          2HD2      ASN  51  10.570  -7.698  -7.212
  437    H    GLU  52           H        GLU  52   7.339  -5.630  -8.942
  438    HA   GLU  52           HA       GLU  52   7.764  -5.628 -11.647
  439    HB2  GLU  52           2HB      GLU  52   5.295  -6.403 -10.097
  440    HB3  GLU  52           1HB      GLU  52   5.501  -6.734 -11.811
  441    HG2  GLU  52           2HG      GLU  52   7.503  -7.669  -9.790
  442    HG3  GLU  52           1HG      GLU  52   6.044  -8.593 -10.146
  443    HA   PRO  53           HA       PRO  53   6.291  -1.581 -12.943
  444    HB2  PRO  53           2HB      PRO  53   5.996  -3.230 -15.427
  445    HB3  PRO  53           1HB      PRO  53   6.657  -1.602 -15.234
  446    HG2  PRO  53           2HG      PRO  53   8.266  -3.717 -15.494
  447    HG3  PRO  53           1HG      PRO  53   8.678  -2.372 -14.415
  448    HD2  PRO  53           2HD      PRO  53   7.788  -5.117 -13.749
  449    HD3  PRO  53           1HD      PRO  53   8.748  -3.975 -12.788
  450    H    SER  54           H        SER  54   4.632  -4.638 -13.511
  451    HA   SER  54           HA       SER  54   2.161  -3.528 -14.346
  452    HB2  SER  54           2HB      SER  54   1.380  -5.903 -13.383
  453    HB3  SER  54           1HB      SER  54   2.229  -5.745 -14.920
  454    HG   SER  54           HG       SER  54   3.443  -7.201 -13.921
  455    H    ARG  55           H        ARG  55   3.477  -4.424 -11.205
  456    HA   ARG  55           HA       ARG  55   1.021  -3.922  -9.799
  457    HB2  ARG  55           2HB      ARG  55   3.831  -4.279  -8.745
  458    HB3  ARG  55           1HB      ARG  55   2.365  -4.285  -7.774
  459    HG2  ARG  55           2HG      ARG  55   1.648  -6.330  -8.673
  460    HG3  ARG  55           1HG      ARG  55   2.801  -6.240 -10.006
  461    HD2  ARG  55           2HD      ARG  55   4.622  -6.325  -8.234
  462    HD3  ARG  55           1HD      ARG  55   3.351  -6.776  -7.099
  463    HE   ARG  55           HE       ARG  55   3.408  -8.419  -9.451
  464   HH11  ARG  55          1HH1      ARG  55   4.769  -7.950  -6.271
  465   HH12  ARG  55          2HH1      ARG  55   5.222  -9.611  -6.083
  466   HH21  ARG  55          1HH2      ARG  55   4.002 -10.604  -9.205
  467   HH22  ARG  55          2HH2      ARG  55   4.786 -11.118  -7.749
  468    H    LEU  56           H        LEU  56   3.215  -1.870 -11.194
  469    HA   LEU  56           HA       LEU  56   3.763   0.090  -9.325
  470    HB2  LEU  56           2HB      LEU  56   3.308   0.174 -12.283
  471    HB3  LEU  56           1HB      LEU  56   3.564   1.661 -11.393
  472    HG   LEU  56           HG       LEU  56   5.496  -0.657 -11.391
  473   HD11  LEU  56          1HD1      LEU  56   5.671   1.925 -12.934
  474   HD12  LEU  56          2HD1      LEU  56   5.240   0.364 -13.630
  475   HD13  LEU  56          3HD1      LEU  56   6.842   0.606 -12.933
  476   HD21  LEU  56          3HD2      LEU  56   6.131   0.469  -9.533
  477   HD22  LEU  56          1HD2      LEU  56   5.374   1.976 -10.053
  478   HD23  LEU  56          2HD2      LEU  56   6.936   1.499 -10.717
  479    HA   PRO  57           HA       PRO  57  -0.401   2.380 -10.724
  480    HB2  PRO  57           2HB      PRO  57  -2.300   0.366 -11.270
  481    HB3  PRO  57           1HB      PRO  57  -1.591   1.494 -12.427
  482    HG2  PRO  57           2HG      PRO  57  -0.850  -1.323 -11.829
  483    HG3  PRO  57           1HG      PRO  57  -0.781  -0.441 -13.365
  484    HD2  PRO  57           2HD      PRO  57   1.435  -0.974 -11.972
  485    HD3  PRO  57           1HD      PRO  57   1.246   0.566 -12.834
  486    H    LEU  58           H        LEU  58  -0.077  -0.675  -9.058
  487    HA   LEU  58           HA       LEU  58  -2.297  -0.601  -7.385
  488    HB2  LEU  58           2HB      LEU  58  -0.457  -2.404  -7.693
  489    HB3  LEU  58           1HB      LEU  58   0.379  -1.543  -6.415
  490    HG   LEU  58           HG       LEU  58  -2.442  -2.323  -5.905
  491   HD11  LEU  58          1HD1      LEU  58  -1.890  -4.402  -6.712
  492   HD12  LEU  58          2HD1      LEU  58  -1.393  -4.543  -5.026
  493   HD13  LEU  58          3HD1      LEU  58  -0.188  -4.239  -6.277
  494   HD21  LEU  58          3HD2      LEU  58   0.047  -2.391  -4.206
  495   HD22  LEU  58          1HD2      LEU  58  -1.613  -2.611  -3.655
  496   HD23  LEU  58          2HD2      LEU  58  -1.093  -1.047  -4.281
  497    H    PHE  59           H        PHE  59   0.828   1.008  -7.079
  498    HA   PHE  59           HA       PHE  59   0.725   1.910  -4.476
  499    HB2  PHE  59           2HB      PHE  59   1.900   3.050  -6.986
  500    HB3  PHE  59           1HB      PHE  59   1.949   3.991  -5.498
  501    HD1  PHE  59           1HD      PHE  59   2.740   2.485  -3.390
  502    HD2  PHE  59           2HD      PHE  59   3.768   1.835  -7.468
  503    HE1  PHE  59           1HE      PHE  59   4.754   1.261  -2.683
  504    HE2  PHE  59           2HE      PHE  59   5.784   0.608  -6.769
  505    HZ   PHE  59           HZ       PHE  59   6.278   0.320  -4.373
  506    H    ASP  60           H        ASP  60  -1.055   3.043  -7.257
  507    HA   ASP  60           HA       ASP  60  -1.879   5.545  -6.416
  508    HB2  ASP  60           2HB      ASP  60  -3.308   3.456  -8.057
  509    HB3  ASP  60           1HB      ASP  60  -3.955   5.074  -7.805
  510    H    ALA  61           H        ALA  61  -3.431   2.423  -5.801
  511    HA   ALA  61           HA       ALA  61  -5.500   3.515  -4.169
  512    HB1  ALA  61           1HB      ALA  61  -5.649   1.371  -5.441
  513    HB2  ALA  61           2HB      ALA  61  -6.144   1.256  -3.753
  514    HB3  ALA  61           3HB      ALA  61  -4.563   0.655  -4.250
  515    H    ILE  62           H        ILE  62  -2.223   2.676  -3.556
  516    HA   ILE  62           HA       ILE  62  -2.506   2.045  -0.789
  517    HB   ILE  62           HB       ILE  62  -0.012   2.961  -2.213
  518   HG12  ILE  62          2HG1      ILE  62  -1.187   0.194  -1.872
  519   HG13  ILE  62          1HG1      ILE  62  -0.943   1.054  -3.387
  520   HG21  ILE  62          1HG2      ILE  62  -0.416   2.624   0.464
  521   HG22  ILE  62          2HG2      ILE  62   1.141   2.475  -0.352
  522   HG23  ILE  62          3HG2      ILE  62   0.181   1.035  -0.016
  523   HD11  ILE  62          3HD1      ILE  62   1.139  -0.100  -1.561
  524   HD12  ILE  62          1HD1      ILE  62   1.520   1.011  -2.876
  525   HD13  ILE  62          2HD1      ILE  62   0.776  -0.549  -3.227
  526    H    ARG  63           H        ARG  63  -1.569   5.000  -2.525
  527    HA   ARG  63           HA       ARG  63  -0.841   6.512  -0.300
  528    HB2  ARG  63           2HB      ARG  63  -2.015   8.377  -2.013
  529    HB3  ARG  63           1HB      ARG  63  -0.322   7.927  -1.935
  530    HG2  ARG  63           2HG      ARG  63  -0.423   6.671  -3.827
  531    HG3  ARG  63           1HG      ARG  63  -2.119   6.254  -3.596
  532    HD2  ARG  63           2HD      ARG  63  -2.721   7.872  -4.987
  533    HD3  ARG  63           1HD      ARG  63  -1.945   9.065  -3.945
  534    HE   ARG  63           HE       ARG  63   0.019   7.820  -5.508
  535   HH11  ARG  63          1HH1      ARG  63  -2.688   9.993  -5.864
  536   HH12  ARG  63          2HH1      ARG  63  -2.025  10.792  -7.249
  537   HH21  ARG  63          1HH2      ARG  63   0.893   8.870  -7.331
  538   HH22  ARG  63          2HH2      ARG  63   0.007  10.155  -8.083
  539    HA   PRO  64           HA       PRO  64  -5.618   8.170  -0.516
  540    HB2  PRO  64           2HB      PRO  64  -6.471   5.301  -0.707
  541    HB3  PRO  64           1HB      PRO  64  -7.339   6.761  -1.198
  542    HG2  PRO  64           2HG      PRO  64  -6.042   5.262  -2.986
  543    HG3  PRO  64           1HG      PRO  64  -6.078   7.029  -3.115
  544    HD2  PRO  64           2HD      PRO  64  -3.845   5.246  -2.394
  545    HD3  PRO  64           1HD      PRO  64  -3.810   6.901  -3.026
  546    H    LEU  65           H        LEU  65  -5.012   4.898   0.849
  547    HA   LEU  65           HA       LEU  65  -6.345   5.482   3.277
  548    HB2  LEU  65           2HB      LEU  65  -5.075   3.431   4.120
  549    HB3  LEU  65           1HB      LEU  65  -6.208   3.212   2.800
  550    HG   LEU  65           HG       LEU  65  -3.494   3.750   1.881
  551   HD11  LEU  65          1HD1      LEU  65  -3.755   1.022   2.979
  552   HD12  LEU  65          2HD1      LEU  65  -3.416   2.313   4.131
  553   HD13  LEU  65          3HD1      LEU  65  -2.325   2.033   2.773
  554   HD21  LEU  65          3HD2      LEU  65  -3.980   1.798   0.477
  555   HD22  LEU  65          1HD2      LEU  65  -5.278   2.989   0.418
  556   HD23  LEU  65          2HD2      LEU  65  -5.466   1.526   1.384
  557    H    ILE  66           H        ILE  66  -3.077   5.971   2.198
  558    HA   ILE  66           HA       ILE  66  -1.910   6.307   4.765
  559    HB   ILE  66           HB       ILE  66  -0.942   6.138   2.181
  560   HG12  ILE  66          2HG1      ILE  66   1.209   6.984   3.782
  561   HG13  ILE  66          1HG1      ILE  66   0.067   6.220   4.882
  562   HG21  ILE  66          1HG2      ILE  66   0.418   8.101   1.782
  563   HG22  ILE  66          2HG2      ILE  66  -0.237   8.875   3.224
  564   HG23  ILE  66          3HG2      ILE  66  -1.288   8.546   1.848
  565   HD11  ILE  66          3HD1      ILE  66   0.874   4.872   2.341
  566   HD12  ILE  66          1HD1      ILE  66   0.232   4.167   3.823
  567   HD13  ILE  66          2HD1      ILE  66   1.884   4.782   3.784
  568    HA   PRO  67           HA       PRO  67  -3.131  10.283   6.189
  569    HB2  PRO  67           2HB      PRO  67  -0.211  10.892   6.361
  570    HB3  PRO  67           1HB      PRO  67  -1.475  11.085   7.581
  571    HG2  PRO  67           2HG      PRO  67   0.228   9.055   7.731
  572    HG3  PRO  67           1HG      PRO  67  -1.487   8.823   8.117
  573    HD2  PRO  67           2HD      PRO  67   0.035   8.015   5.683
  574    HD3  PRO  67           1HD      PRO  67  -1.305   7.190   6.502
  575    H    LEU  68           H        LEU  68  -3.195  12.496   5.613
  576    HA   LEU  68           HA       LEU  68  -3.156  13.077   2.913
  577    HB2  LEU  68           2HB      LEU  68  -2.606  15.461   4.493
  578    HB3  LEU  68           1HB      LEU  68  -3.988  15.073   3.491
  579    HG   LEU  68           HG       LEU  68  -4.720  13.600   5.516
  580   HD11  LEU  68          1HD1      LEU  68  -3.792  15.297   7.508
  581   HD12  LEU  68          2HD1      LEU  68  -2.363  14.934   6.541
  582   HD13  LEU  68          3HD1      LEU  68  -3.311  13.622   7.242
  583   HD21  LEU  68          3HD2      LEU  68  -5.536  15.941   4.578
  584   HD22  LEU  68          1HD2      LEU  68  -4.911  16.497   6.130
  585   HD23  LEU  68          2HD2      LEU  68  -6.170  15.262   6.078
  586    H    LYS  69           H        LYS  69  -0.921  14.712   5.152
  587    HA   LYS  69           HA       LYS  69   0.883  15.608   3.283
  588    HB2  LYS  69           2HB      LYS  69   2.516  15.757   5.102
  589    HB3  LYS  69           1HB      LYS  69   0.929  16.301   5.628
  590    HG2  LYS  69           2HG      LYS  69   1.087  13.538   6.187
  591    HG3  LYS  69           1HG      LYS  69   2.590  14.276   6.742
  592    HD2  LYS  69           2HD      LYS  69   0.034  15.652   7.386
  593    HD3  LYS  69           1HD      LYS  69   0.431  14.180   8.274
  594    HE2  LYS  69           2HE      LYS  69   1.404  15.767   9.615
  595    HE3  LYS  69           1HE      LYS  69   2.756  15.349   8.564
  596    HZ1  LYS  69           3HZ      LYS  69   2.231  17.275   7.195
  597    HZ2  LYS  69           1HZ      LYS  69   2.541  17.735   8.794
  598    HZ3  LYS  69           2HZ      LYS  69   0.949  17.682   8.222
  599    H    HIS  70           H        HIS  70   0.566  12.415   4.641
  600    HA   HIS  70           HA       HIS  70   3.087  11.406   3.833
  601    HB2  HIS  70           2HB      HIS  70   0.471  10.125   4.575
  602    HB3  HIS  70           1HB      HIS  70   1.820   9.153   3.994
  603    HD1  HIS  70           1HD      HIS  70   2.012   7.991   6.307
  604    HD2  HIS  70           2HD      HIS  70   2.625  12.100   6.398
  605    HE1  HIS  70           1HE      HIS  70   3.018   8.469   8.560
  606    HE2  HIS  70           2HE      HIS  70   3.303  10.972   8.625
  607    H    GLN  71           H        GLN  71  -0.045  11.651   2.253
  608    HA   GLN  71           HA       GLN  71   0.445   9.991   0.052
  609    HB2  GLN  71           2HB      GLN  71  -1.319  12.407   0.409
  610    HB3  GLN  71           1HB      GLN  71  -1.267  11.504  -1.098
  611    HG2  GLN  71           2HG      GLN  71  -1.996   9.495   0.064
  612    HG3  GLN  71           1HG      GLN  71  -2.014  10.377   1.591
  613   HE21  GLN  71          1HE2      GLN  71  -3.403  10.380  -1.659
  614   HE22  GLN  71          2HE2      GLN  71  -4.936  11.029  -1.197
  615    H    VAL  72           H        VAL  72   0.837  13.497   0.374
  616    HA   VAL  72           HA       VAL  72   1.862  14.019  -2.159
  617    HB   VAL  72           HB       VAL  72   2.665  15.478   0.357
  618   HG11  VAL  72          1HG1      VAL  72   2.204  16.883  -2.195
  619   HG12  VAL  72          2HG1      VAL  72   3.624  15.839  -2.127
  620   HG13  VAL  72          3HG1      VAL  72   3.433  17.147  -0.959
  621   HG21  VAL  72          3HG2      VAL  72   0.144  15.609  -1.267
  622   HG22  VAL  72          1HG2      VAL  72   0.700  16.980  -0.309
  623   HG23  VAL  72          2HG2      VAL  72   0.327  15.448   0.479
  624    H    GLU  73           H        GLU  73   3.609  13.308   0.864
  625    HA   GLU  73           HA       GLU  73   6.188  13.440  -0.292
  626    HB2  GLU  73           2HB      GLU  73   5.330  13.349   2.242
  627    HB3  GLU  73           1HB      GLU  73   5.724  11.647   2.038
  628    HG2  GLU  73           2HG      GLU  73   7.936  12.022   2.022
  629    HG3  GLU  73           1HG      GLU  73   7.782  13.526   1.115
  630    H    TYR  74           H        TYR  74   3.898  10.795   0.161
  631    HA   TYR  74           HA       TYR  74   5.533   8.644  -0.484
  632    HB2  TYR  74           2HB      TYR  74   3.057   8.656   0.250
  633    HB3  TYR  74           1HB      TYR  74   2.692   8.846  -1.462
  634    HD1  TYR  74           2HD      TYR  74   4.604   6.648   0.870
  635    HD2  TYR  74           1HD      TYR  74   2.448   6.954  -2.786
  636    HE1  TYR  74           2HE      TYR  74   4.772   4.213   0.573
  637    HE2  TYR  74           1HE      TYR  74   2.610   4.519  -3.091
  638    HH   TYR  74           HH       TYR  74   4.660   2.556  -1.161
  639    H    ASP  75           H        ASP  75   3.823  10.915  -2.548
  640    HA   ASP  75           HA       ASP  75   4.566   9.665  -5.006
  641    HB2  ASP  75           2HB      ASP  75   3.392  12.341  -4.284
  642    HB3  ASP  75           1HB      ASP  75   3.874  11.976  -5.938
  643    H    GLN  76           H        GLN  76   5.931  12.160  -2.946
  644    HA   GLN  76           HA       GLN  76   7.813  13.180  -4.789
  645    HB2  GLN  76           2HB      GLN  76   7.540  13.226  -1.810
  646    HB3  GLN  76           1HB      GLN  76   9.033  13.788  -2.549
  647    HG2  GLN  76           2HG      GLN  76   6.879  14.984  -3.944
  648    HG3  GLN  76           1HG      GLN  76   6.578  15.171  -2.217
  649   HE21  GLN  76          1HE2      GLN  76   7.739  16.612  -1.080
  650   HE22  GLN  76          2HE2      GLN  76   8.999  17.594  -1.736
  651    H    LEU  77           H        LEU  77   7.791  10.354  -2.760
  652    HA   LEU  77           HA       LEU  77  10.631   9.878  -3.166
  653    HB2  LEU  77           2HB      LEU  77   8.580   8.200  -1.726
  654    HB3  LEU  77           1HB      LEU  77  10.314   7.944  -1.709
  655    HG   LEU  77           HG       LEU  77   9.335  10.588  -0.779
  656   HD11  LEU  77          1HD1      LEU  77   9.366   8.479   1.277
  657   HD12  LEU  77          2HD1      LEU  77   7.983   8.475   0.183
  658   HD13  LEU  77          3HD1      LEU  77   8.352   9.915   1.132
  659   HD21  LEU  77          3HD2      LEU  77  11.689  10.223  -0.796
  660   HD22  LEU  77          1HD2      LEU  77  11.515   8.674   0.027
  661   HD23  LEU  77          2HD2      LEU  77  11.161  10.174   0.886
  662    H    THR  78           H        THR  78   7.522   8.501  -4.088
  663    HA   THR  78           HA       THR  78   8.633   6.299  -5.517
  664    HB   THR  78           HB       THR  78   6.309   6.096  -6.456
  665    HG1  THR  78           1HG      THR  78   4.767   7.508  -5.796
  666   HG21  THR  78          3HG2      THR  78   5.222   5.468  -4.419
  667   HG22  THR  78          1HG2      THR  78   6.348   6.439  -3.469
  668   HG23  THR  78          2HG2      THR  78   6.923   5.008  -4.326
  669    HA   PRO  79           HA       PRO  79   9.729   8.727  -9.126
  670    HB2  PRO  79           2HB      PRO  79  10.819   6.730 -10.567
  671    HB3  PRO  79           1HB      PRO  79  11.644   7.439  -9.174
  672    HG2  PRO  79           2HG      PRO  79  10.064   4.900  -9.350
  673    HG3  PRO  79           1HG      PRO  79  11.613   5.200  -8.538
  674    HD2  PRO  79           2HD      PRO  79   9.227   5.131  -7.225
  675    HD3  PRO  79           1HD      PRO  79  10.606   6.109  -6.685
  676    H    ARG  80           H        ARG  80   8.827   9.118 -11.112
  677    HA   ARG  80           HA       ARG  80   6.675   7.291 -11.956
  678    HB2  ARG  80           2HB      ARG  80   6.815  10.237 -11.726
  679    HB3  ARG  80           1HB      ARG  80   6.005   9.620 -13.159
  680    HG2  ARG  80           2HG      ARG  80   4.579   8.225 -11.642
  681    HG3  ARG  80           1HG      ARG  80   5.295   9.096 -10.284
  682    HD2  ARG  80           2HD      ARG  80   3.979  10.864 -10.616
  683    HD3  ARG  80           1HD      ARG  80   4.356  10.907 -12.337
  684    HE   ARG  80           HE       ARG  80   2.023   9.791 -11.107
  685   HH11  ARG  80          1HH1      ARG  80   4.139   9.582 -13.876
  686   HH12  ARG  80          2HH1      ARG  80   2.929   8.893 -14.906
  687   HH21  ARG  80          1HH2      ARG  80   0.431   8.882 -12.460
  688   HH22  ARG  80          2HH2      ARG  80   0.825   8.495 -14.102
  Start of MODEL   12
    1    H1   MET   1           1HT      MET   1 -17.919   6.368   5.509
    2    H2   MET   1           2HT      MET   1 -17.813   7.879   6.314
    3    H3   MET   1           3HT      MET   1 -19.113   6.812   6.656
    4    HA   MET   1           HA       MET   1 -17.554   6.731   8.406
    5    HB2  MET   1           2HB      MET   1 -17.121   4.315   8.355
    6    HB3  MET   1           1HB      MET   1 -18.731   4.684   7.752
    7    HG2  MET   1           2HG      MET   1 -16.664   4.566   5.685
    8    HG3  MET   1           1HG      MET   1 -16.938   3.048   6.536
    9    HE1  MET   1           2HE      MET   1 -18.156   1.448   4.970
   10    HE2  MET   1           3HE      MET   1 -17.406   2.521   3.789
   11    HE3  MET   1           1HE      MET   1 -19.091   2.036   3.594
   12    H    ASP   2           H        ASP   2 -15.384   5.210   8.749
   13    HA   ASP   2           HA       ASP   2 -13.315   6.712   7.321
   14    HB2  ASP   2           2HB      ASP   2 -13.533   5.473  10.003
   15    HB3  ASP   2           1HB      ASP   2 -11.946   5.398   9.245
   16    H    ARG   3           H        ARG   3 -14.702   4.487   6.073
   17    HA   ARG   3           HA       ARG   3 -12.366   2.970   5.277
   18    HB2  ARG   3           2HB      ARG   3 -13.330   1.700   7.198
   19    HB3  ARG   3           1HB      ARG   3 -14.825   1.530   6.285
   20    HG2  ARG   3           2HG      ARG   3 -12.684   0.655   4.638
   21    HG3  ARG   3           1HG      ARG   3 -12.511  -0.104   6.221
   22    HD2  ARG   3           2HD      ARG   3 -15.162  -0.409   5.827
   23    HD3  ARG   3           1HD      ARG   3 -14.590  -0.457   4.160
   24    HE   ARG   3           HE       ARG   3 -13.015  -2.151   5.784
   25   HH11  ARG   3          1HH1      ARG   3 -16.174  -1.944   4.317
   26   HH12  ARG   3          2HH1      ARG   3 -16.375  -3.661   4.211
   27   HH21  ARG   3          1HH2      ARG   3 -13.276  -4.409   5.645
   28   HH22  ARG   3          2HH2      ARG   3 -14.731  -5.060   4.965
   29    H    LYS   4           H        LYS   4 -12.898   4.316   3.399
   30    HA   LYS   4           HA       LYS   4 -15.126   3.204   1.825
   31    HB2  LYS   4           2HB      LYS   4 -15.104   5.306   0.549
   32    HB3  LYS   4           1HB      LYS   4 -15.407   5.583   2.258
   33    HG2  LYS   4           2HG      LYS   4 -12.785   5.930   2.292
   34    HG3  LYS   4           1HG      LYS   4 -13.067   6.324   0.597
   35    HD2  LYS   4           2HD      LYS   4 -14.358   8.169   1.104
   36    HD3  LYS   4           1HD      LYS   4 -14.797   7.552   2.698
   37    HE2  LYS   4           2HE      LYS   4 -11.929   8.032   2.325
   38    HE3  LYS   4           1HE      LYS   4 -12.928   9.481   2.221
   39    HZ1  LYS   4           3HZ      LYS   4 -13.285   7.586   4.450
   40    HZ2  LYS   4           1HZ      LYS   4 -13.657   9.236   4.383
   41    HZ3  LYS   4           2HZ      LYS   4 -12.045   8.736   4.502
   42    H    VAL   5           H        VAL   5 -11.777   4.371   1.613
   43    HA   VAL   5           HA       VAL   5 -11.417   3.413  -1.061
   44    HB   VAL   5           HB       VAL   5  -9.226   4.073   0.906
   45   HG11  VAL   5          1HG1      VAL   5  -8.674   4.872  -1.760
   46   HG12  VAL   5          2HG1      VAL   5  -9.247   3.203  -1.798
   47   HG13  VAL   5          3HG1      VAL   5  -7.867   3.640  -0.792
   48   HG21  VAL   5          3HG2      VAL   5  -9.732   6.239   0.833
   49   HG22  VAL   5          1HG2      VAL   5 -11.252   5.805   0.053
   50   HG23  VAL   5          2HG2      VAL   5  -9.843   6.207  -0.927
   51    H    ALA   6           H        ALA   6 -11.073   2.068   2.119
   52    HA   ALA   6           HA       ALA   6  -9.258   0.012   1.666
   53    HB1  ALA   6           1HB      ALA   6 -11.623  -0.518   3.391
   54    HB2  ALA   6           2HB      ALA   6 -10.536   0.800   3.829
   55    HB3  ALA   6           3HB      ALA   6  -9.915  -0.844   3.685
   56    H    ARG   7           H        ARG   7 -12.717   0.167   1.011
   57    HA   ARG   7           HA       ARG   7 -13.104  -2.522   0.307
   58    HB2  ARG   7           2HB      ARG   7 -14.684  -0.242   0.453
   59    HB3  ARG   7           1HB      ARG   7 -14.723  -0.669  -1.252
   60    HG2  ARG   7           2HG      ARG   7 -15.922  -2.546  -0.896
   61    HG3  ARG   7           1HG      ARG   7 -15.140  -2.884   0.650
   62    HD2  ARG   7           2HD      ARG   7 -16.451  -1.082   1.686
   63    HD3  ARG   7           1HD      ARG   7 -17.250  -0.789   0.142
   64    HE   ARG   7           HE       ARG   7 -17.738  -3.408   0.591
   65   HH11  ARG   7          1HH1      ARG   7 -18.181  -0.539   2.529
   66   HH12  ARG   7          2HH1      ARG   7 -19.545  -1.177   3.384
   67   HH21  ARG   7          1HH2      ARG   7 -19.530  -4.248   1.716
   68   HH22  ARG   7          2HH2      ARG   7 -20.311  -3.282   2.923
   69    H    GLU   8           H        GLU   8 -12.553   0.306  -1.761
   70    HA   GLU   8           HA       GLU   8 -12.332  -1.121  -4.176
   71    HB2  GLU   8           2HB      GLU   8 -11.701   1.615  -3.243
   72    HB3  GLU   8           1HB      GLU   8 -10.821   1.072  -4.664
   73    HG2  GLU   8           2HG      GLU   8 -13.342   0.334  -5.312
   74    HG3  GLU   8           1HG      GLU   8 -13.648   1.777  -4.346
   75    H    PHE   9           H        PHE   9 -10.023  -0.299  -1.677
   76    HA   PHE   9           HA       PHE   9  -7.646  -0.885  -3.038
   77    HB2  PHE   9           2HB      PHE   9  -7.817   0.245  -0.809
   78    HB3  PHE   9           1HB      PHE   9  -8.197  -1.318  -0.095
   79    HD1  PHE   9           1HD      PHE   9  -6.477  -3.171  -0.299
   80    HD2  PHE   9           2HD      PHE   9  -5.609   0.910  -1.136
   81    HE1  PHE   9           1HE      PHE   9  -4.075  -3.632  -0.030
   82    HE2  PHE   9           2HE      PHE   9  -3.205   0.457  -0.870
   83    HZ   PHE   9           HZ       PHE   9  -2.436  -1.816  -0.317
   84    H    ARG  10           H        ARG  10  -9.626  -2.957  -0.921
   85    HA   ARG  10           HA       ARG  10  -8.125  -5.293  -1.186
   86    HB2  ARG  10           2HB      ARG  10 -10.296  -4.630   0.250
   87    HB3  ARG  10           1HB      ARG  10 -11.074  -5.567  -1.016
   88    HG2  ARG  10           2HG      ARG  10  -9.032  -7.213  -0.365
   89    HG3  ARG  10           1HG      ARG  10  -9.345  -6.437   1.190
   90    HD2  ARG  10           2HD      ARG  10 -11.655  -7.104   1.113
   91    HD3  ARG  10           1HD      ARG  10 -11.460  -7.737  -0.520
   92    HE   ARG  10           HE       ARG  10 -10.623  -9.659   0.377
   93   HH11  ARG  10          1HH1      ARG  10 -10.420  -7.139   2.783
   94   HH12  ARG  10          2HH1      ARG  10  -9.895  -8.208   4.041
   95   HH21  ARG  10          1HH2      ARG  10  -9.934 -11.068   2.031
   96   HH22  ARG  10          2HH2      ARG  10  -9.619 -10.439   3.613
   97    H    HIS  11           H        HIS  11 -10.776  -4.030  -3.158
   98    HA   HIS  11           HA       HIS  11 -10.940  -6.286  -4.881
   99    HB2  HIS  11           2HB      HIS  11 -12.167  -3.649  -4.678
  100    HB3  HIS  11           1HB      HIS  11 -11.867  -4.113  -6.348
  101    HD1  HIS  11           1HD      HIS  11 -12.771  -6.728  -6.838
  102    HD2  HIS  11           2HD      HIS  11 -14.554  -4.537  -3.791
  103    HE1  HIS  11           1HE      HIS  11 -14.992  -7.835  -6.425
  104    HE2  HIS  11           2HE      HIS  11 -16.019  -6.536  -4.526
  105    H    LYS  12           H        LYS  12  -9.114  -3.279  -4.949
  106    HA   LYS  12           HA       LYS  12  -8.151  -3.529  -7.600
  107    HB2  LYS  12           2HB      LYS  12  -7.917  -1.669  -5.484
  108    HB3  LYS  12           1HB      LYS  12  -6.280  -2.126  -5.929
  109    HG2  LYS  12           2HG      LYS  12  -8.310  -1.276  -7.969
  110    HG3  LYS  12           1HG      LYS  12  -7.283  -0.123  -7.114
  111    HD2  LYS  12           2HD      LYS  12  -5.294  -1.257  -7.949
  112    HD3  LYS  12           1HD      LYS  12  -6.305  -2.445  -8.774
  113    HE2  LYS  12           2HE      LYS  12  -5.798  -0.972 -10.482
  114    HE3  LYS  12           1HE      LYS  12  -7.359  -0.371  -9.924
  115    HZ1  LYS  12           3HZ      LYS  12  -5.243   1.183 -10.252
  116    HZ2  LYS  12           1HZ      LYS  12  -5.007   0.752  -8.632
  117    HZ3  LYS  12           2HZ      LYS  12  -6.446   1.506  -9.107
  118    H    VAL  13           H        VAL  13  -6.473  -4.077  -4.496
  119    HA   VAL  13           HA       VAL  13  -4.129  -5.149  -5.490
  120    HB   VAL  13           HB       VAL  13  -5.495  -6.049  -2.950
  121   HG11  VAL  13          1HG1      VAL  13  -2.682  -6.196  -3.971
  122   HG12  VAL  13          2HG1      VAL  13  -3.682  -7.471  -3.274
  123   HG13  VAL  13          3HG1      VAL  13  -3.022  -6.201  -2.241
  124   HG21  VAL  13          3HG2      VAL  13  -3.639  -4.163  -2.232
  125   HG22  VAL  13          1HG2      VAL  13  -5.377  -3.895  -2.355
  126   HG23  VAL  13          2HG2      VAL  13  -4.323  -3.485  -3.708
  127    H    ASP  14           H        ASP  14  -7.165  -6.814  -4.728
  128    HA   ASP  14           HA       ASP  14  -6.273  -9.433  -5.207
  129    HB2  ASP  14           2HB      ASP  14  -8.902  -8.074  -5.024
  130    HB3  ASP  14           1HB      ASP  14  -8.882  -9.612  -5.882
  131    H    PHE  15           H        PHE  15  -7.646  -6.989  -7.354
  132    HA   PHE  15           HA       PHE  15  -7.793  -8.656  -9.648
  133    HB2  PHE  15           2HB      PHE  15  -8.759  -6.193  -9.035
  134    HB3  PHE  15           1HB      PHE  15  -7.407  -5.756 -10.075
  135    HD1  PHE  15           1HD      PHE  15  -7.295  -7.541 -12.196
  136    HD2  PHE  15           2HD      PHE  15 -10.764  -6.209 -10.123
  137    HE1  PHE  15           1HE      PHE  15  -8.664  -8.029 -14.182
  138    HE2  PHE  15           2HE      PHE  15 -12.140  -6.695 -12.104
  139    HZ   PHE  15           HZ       PHE  15 -11.090  -7.606 -14.138
  140    H    LEU  16           H        LEU  16  -5.360  -6.387  -8.437
  141    HA   LEU  16           HA       LEU  16  -3.629  -6.728 -10.695
  142    HB2  LEU  16           2HB      LEU  16  -2.754  -5.688  -8.022
  143    HB3  LEU  16           1HB      LEU  16  -2.138  -5.275  -9.610
  144    HG   LEU  16           HG       LEU  16  -4.968  -4.584  -9.172
  145   HD11  LEU  16          1HD1      LEU  16  -3.333  -4.071  -7.040
  146   HD12  LEU  16          2HD1      LEU  16  -4.786  -3.165  -7.456
  147   HD13  LEU  16          3HD1      LEU  16  -3.205  -2.585  -7.978
  148   HD21  LEU  16          3HD2      LEU  16  -3.764  -2.358 -10.038
  149   HD22  LEU  16          1HD2      LEU  16  -4.256  -3.666 -11.114
  150   HD23  LEU  16          2HD2      LEU  16  -2.580  -3.550 -10.574
  151    H    ILE  17           H        ILE  17  -3.100  -7.480  -7.266
  152    HA   ILE  17           HA       ILE  17  -1.044  -9.379  -7.893
  153    HB   ILE  17           HB       ILE  17  -2.378  -8.968  -5.222
  154   HG12  ILE  17          2HG1      ILE  17   0.006  -7.528  -6.404
  155   HG13  ILE  17          1HG1      ILE  17  -1.573  -6.818  -6.087
  156   HG21  ILE  17          1HG2      ILE  17   0.368  -9.550  -4.989
  157   HG22  ILE  17          2HG2      ILE  17  -0.300 -10.695  -6.152
  158   HG23  ILE  17          3HG2      ILE  17  -1.001 -10.565  -4.539
  159   HD11  ILE  17          3HD1      ILE  17   0.664  -7.287  -4.293
  160   HD12  ILE  17          1HD1      ILE  17  -0.879  -7.847  -3.647
  161   HD13  ILE  17          2HD1      ILE  17  -0.692  -6.168  -4.153
  162    H    GLU  18           H        GLU  18  -3.987  -9.803  -5.949
  163    HA   GLU  18           HA       GLU  18  -5.556 -11.461  -5.909
  164    HB2  GLU  18           2HB      GLU  18  -4.915 -11.430  -8.527
  165    HB3  GLU  18           1HB      GLU  18  -4.368 -13.048  -8.109
  166    HG2  GLU  18           2HG      GLU  18  -7.024 -12.383  -7.087
  167    HG3  GLU  18           1HG      GLU  18  -6.899 -12.379  -8.845
  168    H    ASN  19           H        ASN  19  -2.369 -11.778  -5.287
  169    HA   ASN  19           HA       ASN  19  -2.428 -14.627  -4.680
  170    HB2  ASN  19           2HB      ASN  19  -0.293 -12.548  -4.853
  171    HB3  ASN  19           1HB      ASN  19  -0.013 -13.948  -3.822
  172   HD21  ASN  19          1HD2      ASN  19   1.174 -15.392  -4.817
  173   HD22  ASN  19          2HD2      ASN  19   1.057 -15.843  -6.481
  174    H    ASP  20           H        ASP  20  -1.657 -15.344  -2.529
  175    HA   ASP  20           HA       ASP  20  -2.967 -13.767  -0.454
  176    HB2  ASP  20           2HB      ASP  20  -2.253 -16.628  -0.804
  177    HB3  ASP  20           1HB      ASP  20  -2.253 -16.007   0.844
  178    H    ALA  21           H        ALA  21   0.182 -15.110  -1.264
  179    HA   ALA  21           HA       ALA  21   1.475 -14.419   1.155
  180    HB1  ALA  21           1HB      ALA  21   3.471 -14.434  -0.735
  181    HB2  ALA  21           2HB      ALA  21   2.244 -15.486  -1.442
  182    HB3  ALA  21           3HB      ALA  21   2.888 -15.835   0.162
  183    H    GLU  22           H        GLU  22   1.384 -12.829  -2.012
  184    HA   GLU  22           HA       GLU  22   2.977 -10.629  -1.375
  185    HB2  GLU  22           2HB      GLU  22   0.835 -11.119  -3.408
  186    HB3  GLU  22           1HB      GLU  22   1.488  -9.499  -3.214
  187    HG2  GLU  22           2HG      GLU  22   2.595 -10.738  -5.006
  188    HG3  GLU  22           1HG      GLU  22   3.712 -10.293  -3.717
  189    H    LYS  23           H        LYS  23  -0.517 -11.081  -1.105
  190    HA   LYS  23           HA       LYS  23  -1.204  -8.506  -0.273
  191    HB2  LYS  23           2HB      LYS  23  -2.435 -11.204  -0.014
  192    HB3  LYS  23           1HB      LYS  23  -3.069  -9.920   1.006
  193    HG2  LYS  23           2HG      LYS  23  -3.255  -8.568  -1.172
  194    HG3  LYS  23           1HG      LYS  23  -3.071 -10.126  -1.979
  195    HD2  LYS  23           2HD      LYS  23  -5.014 -10.256   0.165
  196    HD3  LYS  23           1HD      LYS  23  -5.432  -9.013  -1.014
  197    HE2  LYS  23           2HE      LYS  23  -5.272 -10.642  -2.813
  198    HE3  LYS  23           1HE      LYS  23  -4.786 -11.887  -1.664
  199    HZ1  LYS  23           3HZ      LYS  23  -7.223 -11.782  -2.388
  200    HZ2  LYS  23           1HZ      LYS  23  -7.346 -10.455  -1.343
  201    HZ3  LYS  23           2HZ      LYS  23  -6.894 -11.968  -0.739
  202    H    ASP  24           H        ASP  24  -0.093 -11.308   1.568
  203    HA   ASP  24           HA       ASP  24  -0.479 -10.214   4.138
  204    HB2  ASP  24           2HB      ASP  24   1.068 -12.478   2.991
  205    HB3  ASP  24           1HB      ASP  24   1.558 -11.903   4.582
  206    H    TYR  25           H        TYR  25   2.173 -10.040   1.836
  207    HA   TYR  25           HA       TYR  25   4.097  -8.889   3.530
  208    HB2  TYR  25           2HB      TYR  25   4.165  -9.789   0.999
  209    HB3  TYR  25           1HB      TYR  25   4.060  -8.061   0.677
  210    HD1  TYR  25           1HD      TYR  25   5.714  -6.669   2.370
  211    HD2  TYR  25           2HD      TYR  25   6.296 -10.647   0.977
  212    HE1  TYR  25           1HE      TYR  25   8.132  -6.448   2.763
  213    HE2  TYR  25           2HE      TYR  25   8.715 -10.436   1.367
  214    HH   TYR  25           HH       TYR  25  10.215  -9.005   2.899
  215    H    LEU  26           H        LEU  26   1.621  -7.441   1.453
  216    HA   LEU  26           HA       LEU  26   2.351  -4.756   1.838
  217    HB2  LEU  26           2HB      LEU  26  -0.529  -5.451   1.559
  218    HB3  LEU  26           1HB      LEU  26   0.391  -4.180   0.779
  219    HG   LEU  26           HG       LEU  26   0.321  -7.103   0.055
  220   HD11  LEU  26          1HD1      LEU  26  -0.259  -5.940  -2.197
  221   HD12  LEU  26          2HD1      LEU  26  -0.685  -4.573  -1.168
  222   HD13  LEU  26          3HD1      LEU  26  -1.500  -6.123  -0.956
  223   HD21  LEU  26          3HD2      LEU  26   2.339  -6.946  -0.859
  224   HD22  LEU  26          1HD2      LEU  26   2.505  -5.315  -0.212
  225   HD23  LEU  26          2HD2      LEU  26   1.814  -5.560  -1.815
  226    H    TYR  27           H        TYR  27   0.026  -6.796   3.550
  227    HA   TYR  27           HA       TYR  27  -0.920  -4.898   5.362
  228    HB2  TYR  27           2HB      TYR  27  -0.777  -7.874   5.318
  229    HB3  TYR  27           1HB      TYR  27  -1.153  -7.095   6.852
  230    HD1  TYR  27           2HD      TYR  27  -2.162  -6.427   3.311
  231    HD2  TYR  27           1HD      TYR  27  -3.410  -7.238   7.297
  232    HE1  TYR  27           2HE      TYR  27  -4.510  -6.206   2.615
  233    HE2  TYR  27           1HE      TYR  27  -5.761  -7.021   6.612
  234    HH   TYR  27           HH       TYR  27  -7.121  -7.144   4.631
  235    H    ASP  28           H        ASP  28   1.975  -6.875   5.420
  236    HA   ASP  28           HA       ASP  28   2.696  -6.299   8.111
  237    HB2  ASP  28           2HB      ASP  28   3.863  -7.713   5.829
  238    HB3  ASP  28           1HB      ASP  28   5.067  -6.890   6.817
  239    H    VAL  29           H        VAL  29   3.505  -4.864   4.986
  240    HA   VAL  29           HA       VAL  29   5.478  -3.076   5.878
  241    HB   VAL  29           HB       VAL  29   3.563  -2.570   3.602
  242   HG11  VAL  29          1HG1      VAL  29   4.757  -0.690   3.458
  243   HG12  VAL  29          2HG1      VAL  29   6.081  -1.706   2.888
  244   HG13  VAL  29          3HG1      VAL  29   5.971  -1.275   4.595
  245   HG21  VAL  29          3HG2      VAL  29   4.325  -4.457   2.689
  246   HG22  VAL  29          1HG2      VAL  29   5.565  -4.650   3.930
  247   HG23  VAL  29          2HG2      VAL  29   5.875  -3.633   2.522
  248    H    LEU  30           H        LEU  30   1.967  -2.716   5.569
  249    HA   LEU  30           HA       LEU  30   1.927   0.008   6.402
  250    HB2  LEU  30           2HB      LEU  30  -0.160  -2.118   6.064
  251    HB3  LEU  30           1HB      LEU  30  -0.567  -0.586   6.815
  252    HG   LEU  30           HG       LEU  30   0.768  -0.610   4.135
  253   HD11  LEU  30          1HD1      LEU  30  -2.173  -0.503   4.155
  254   HD12  LEU  30          2HD1      LEU  30  -1.463  -2.088   4.461
  255   HD13  LEU  30          3HD1      LEU  30  -1.066  -1.216   2.981
  256   HD21  LEU  30          3HD2      LEU  30   0.600   1.566   4.737
  257   HD22  LEU  30          1HD2      LEU  30  -0.752   1.274   5.831
  258   HD23  LEU  30          2HD2      LEU  30  -1.030   1.373   4.092
  259    H    ARG  31           H        ARG  31   1.491  -3.087   8.038
  260    HA   ARG  31           HA       ARG  31   0.608  -2.124  10.512
  261    HB2  ARG  31           2HB      ARG  31   0.679  -4.536   9.695
  262    HB3  ARG  31           1HB      ARG  31   2.377  -4.539  10.154
  263    HG2  ARG  31           2HG      ARG  31   1.731  -3.995  12.464
  264    HG3  ARG  31           1HG      ARG  31   0.033  -4.067  11.986
  265    HD2  ARG  31           2HD      ARG  31   0.112  -6.231  12.518
  266    HD3  ARG  31           1HD      ARG  31   1.071  -6.452  11.058
  267    HE   ARG  31           HE       ARG  31   2.893  -6.849  12.371
  268   HH11  ARG  31          1HH1      ARG  31   0.477  -5.230  14.296
  269   HH12  ARG  31          2HH1      ARG  31   1.360  -5.399  15.775
  270   HH21  ARG  31          1HH2      ARG  31   4.058  -7.074  14.315
  271   HH22  ARG  31          2HH2      ARG  31   3.395  -6.446  15.786
  272    H    MET  32           H        MET  32   3.839  -2.494   9.184
  273    HA   MET  32           HA       MET  32   5.105  -1.704  11.668
  274    HB2  MET  32           2HB      MET  32   5.984  -2.745   9.053
  275    HB3  MET  32           1HB      MET  32   7.093  -1.607   9.806
  276    HG2  MET  32           2HG      MET  32   5.992  -3.942  11.321
  277    HG3  MET  32           1HG      MET  32   7.401  -4.103  10.273
  278    HE1  MET  32           3HE      MET  32   8.972  -4.585  13.340
  279    HE2  MET  32           1HE      MET  32   7.325  -5.014  12.879
  280    HE3  MET  32           2HE      MET  32   7.607  -3.960  14.266
  281    H    TYR  33           H        TYR  33   4.171  -0.270   8.628
  282    HA   TYR  33           HA       TYR  33   5.724   2.067   8.734
  283    HB2  TYR  33           2HB      TYR  33   4.585   1.428   6.696
  284    HB3  TYR  33           1HB      TYR  33   3.017   1.562   7.485
  285    HD1  TYR  33           1HD      TYR  33   5.986   3.833   7.348
  286    HD2  TYR  33           2HD      TYR  33   1.837   3.314   6.562
  287    HE1  TYR  33           1HE      TYR  33   5.833   6.181   6.636
  288    HE2  TYR  33           2HE      TYR  33   1.673   5.661   5.847
  289    HH   TYR  33           HH       TYR  33   3.469   7.415   4.858
  290    H    HIS  34           H        HIS  34   2.687   1.199  10.252
  291    HA   HIS  34           HA       HIS  34   2.047   3.843  11.129
  292    HB2  HIS  34           2HB      HIS  34   1.000   1.099  11.728
  293    HB3  HIS  34           1HB      HIS  34   0.521   2.455  12.743
  294    HD1  HIS  34           1HD      HIS  34  -1.634   3.406  12.025
  295    HD2  HIS  34           2HD      HIS  34   0.533   1.925   8.805
  296    HE1  HIS  34           1HE      HIS  34  -3.072   3.815  10.004
  297    HE2  HIS  34           2HE      HIS  34  -1.702   2.992   8.056
  298    H    GLN  35           H        GLN  35   3.535   1.008  12.648
  299    HA   GLN  35           HA       GLN  35   3.864   2.285  15.185
  300    HB2  GLN  35           2HB      GLN  35   4.382  -0.331  14.024
  301    HB3  GLN  35           1HB      GLN  35   5.683   0.182  15.088
  302    HG2  GLN  35           2HG      GLN  35   2.852   0.400  15.999
  303    HG3  GLN  35           1HG      GLN  35   3.671  -1.159  16.031
  304   HE21  GLN  35          1HE2      GLN  35   4.987  -1.610  17.676
  305   HE22  GLN  35          2HE2      GLN  35   5.466  -0.493  18.904
  306    H    THR  36           H        THR  36   5.924   1.707  12.388
  307    HA   THR  36           HA       THR  36   8.258   2.838  13.629
  308    HB   THR  36           HB       THR  36   9.328   2.529  11.475
  309    HG1  THR  36           1HG      THR  36   7.639   3.202  10.129
  310   HG21  THR  36          3HG2      THR  36   7.960   0.402  12.806
  311   HG22  THR  36          1HG2      THR  36   9.513   0.387  11.971
  312   HG23  THR  36          2HG2      THR  36   8.026   0.089  11.071
  313    H    MET  37           H        MET  37   5.842   3.907  11.280
  314    HA   MET  37           HA       MET  37   5.260   5.967  10.517
  315    HB2  MET  37           2HB      MET  37   5.608   6.309  13.164
  316    HB3  MET  37           1HB      MET  37   6.846   7.406  12.570
  317    HG2  MET  37           2HG      MET  37   5.231   8.921  12.439
  318    HG3  MET  37           1HG      MET  37   4.679   8.042  11.015
  319    HE1  MET  37           3HE      MET  37   1.937   5.781  12.233
  320    HE2  MET  37           1HE      MET  37   3.290   6.028  11.130
  321    HE3  MET  37           2HE      MET  37   1.890   7.097  11.062
  322    H    ASP  38           H        ASP  38   7.019   5.085   8.920
  323    HA   ASP  38           HA       ASP  38   8.731   7.351   8.318
  324    HB2  ASP  38           2HB      ASP  38   9.755   4.863   9.395
  325    HB3  ASP  38           1HB      ASP  38  10.414   5.177   7.793
  326    H    VAL  39           H        VAL  39   7.968   7.836   6.361
  327    HA   VAL  39           HA       VAL  39   6.766   6.070   4.563
  328    HB   VAL  39           HB       VAL  39   8.194   8.616   3.801
  329   HG11  VAL  39          1HG1      VAL  39   6.534   8.718   2.016
  330   HG12  VAL  39          2HG1      VAL  39   5.829   7.200   2.576
  331   HG13  VAL  39          3HG1      VAL  39   7.469   7.225   1.927
  332   HG21  VAL  39          3HG2      VAL  39   5.621   9.367   4.071
  333   HG22  VAL  39          1HG2      VAL  39   6.833   9.548   5.340
  334   HG23  VAL  39          2HG2      VAL  39   5.733   8.169   5.361
  335    H    ALA  40           H        ALA  40  10.122   7.022   4.959
  336    HA   ALA  40           HA       ALA  40  11.182   6.090   2.559
  337    HB1  ALA  40           1HB      ALA  40  13.302   5.765   3.930
  338    HB2  ALA  40           2HB      ALA  40  12.358   6.321   5.313
  339    HB3  ALA  40           3HB      ALA  40  12.594   7.380   3.923
  340    H    VAL  41           H        VAL  41  10.574   4.362   5.591
  341    HA   VAL  41           HA       VAL  41  11.661   1.888   4.665
  342    HB   VAL  41           HB       VAL  41   9.719   2.290   6.941
  343   HG11  VAL  41          1HG1      VAL  41  10.548  -0.042   5.861
  344   HG12  VAL  41          2HG1      VAL  41  10.128   0.162   7.562
  345   HG13  VAL  41          3HG1      VAL  41  11.816   0.226   7.058
  346   HG21  VAL  41          3HG2      VAL  41  12.733   2.331   7.063
  347   HG22  VAL  41          1HG2      VAL  41  11.608   2.570   8.401
  348   HG23  VAL  41          2HG2      VAL  41  11.711   3.768   7.112
  349    H    LEU  42           H        LEU  42   8.454   3.317   4.771
  350    HA   LEU  42           HA       LEU  42   6.929   1.051   4.181
  351    HB2  LEU  42           2HB      LEU  42   5.993   3.211   4.905
  352    HB3  LEU  42           1HB      LEU  42   6.419   3.909   3.353
  353    HG   LEU  42           HG       LEU  42   4.905   2.094   2.332
  354   HD11  LEU  42          1HD1      LEU  42   3.467   0.909   3.638
  355   HD12  LEU  42          2HD1      LEU  42   3.452   2.120   4.919
  356   HD13  LEU  42          3HD1      LEU  42   4.826   1.028   4.756
  357   HD21  LEU  42          3HD2      LEU  42   3.281   3.655   2.171
  358   HD22  LEU  42          1HD2      LEU  42   4.489   4.675   2.952
  359   HD23  LEU  42          2HD2      LEU  42   3.215   3.924   3.913
  360    H    VAL  43           H        VAL  43   8.252   3.501   1.955
  361    HA   VAL  43           HA       VAL  43   7.366   2.319  -0.419
  362    HB   VAL  43           HB       VAL  43   9.908   3.915  -0.108
  363   HG11  VAL  43          1HG1      VAL  43   9.939   4.142  -2.349
  364   HG12  VAL  43          2HG1      VAL  43   8.181   4.212  -2.474
  365   HG13  VAL  43          3HG1      VAL  43   8.994   2.654  -2.311
  366   HG21  VAL  43          3HG2      VAL  43   8.566   5.510   0.730
  367   HG22  VAL  43          1HG2      VAL  43   7.098   4.697   0.188
  368   HG23  VAL  43          2HG2      VAL  43   8.020   5.695  -0.936
  369    H    GLY  44           H        GLY  44  10.326   1.821   1.446
  370    HA2  GLY  44           2HA      GLY  44  11.731   0.255  -0.395
  371    HA3  GLY  44           1HA      GLY  44  11.921   0.174   1.350
  372    H    ASP  45           H        ASP  45   9.805  -0.919   2.372
  373    HA   ASP  45           HA       ASP  45   9.946  -3.627   1.698
  374    HB2  ASP  45           2HB      ASP  45   8.006  -2.025   3.348
  375    HB3  ASP  45           1HB      ASP  45   7.780  -3.753   3.104
  376    H    LEU  46           H        LEU  46   7.386  -1.251   1.008
  377    HA   LEU  46           HA       LEU  46   5.655  -2.965  -0.355
  378    HB2  LEU  46           2HB      LEU  46   6.025  -0.065  -0.101
  379    HB3  LEU  46           1HB      LEU  46   5.263  -0.559  -1.600
  380    HG   LEU  46           HG       LEU  46   4.207  -1.645   0.973
  381   HD11  LEU  46          1HD1      LEU  46   4.183   1.176   0.154
  382   HD12  LEU  46          2HD1      LEU  46   3.941   0.448   1.742
  383   HD13  LEU  46          3HD1      LEU  46   2.610   0.503   0.587
  384   HD21  LEU  46          3HD2      LEU  46   2.706  -0.730  -1.458
  385   HD22  LEU  46          1HD2      LEU  46   2.213  -1.888  -0.223
  386   HD23  LEU  46          2HD2      LEU  46   3.469  -2.317  -1.383
  387    H    LYS  47           H        LYS  47   8.531  -1.286  -1.431
  388    HA   LYS  47           HA       LYS  47   8.096  -1.729  -4.219
  389    HB2  LYS  47           2HB      LYS  47  10.310  -0.696  -2.529
  390    HB3  LYS  47           1HB      LYS  47  10.740  -1.318  -4.117
  391    HG2  LYS  47           2HG      LYS  47   8.545   0.691  -3.778
  392    HG3  LYS  47           1HG      LYS  47  10.238   1.180  -3.887
  393    HD2  LYS  47           2HD      LYS  47   9.514  -0.725  -5.956
  394    HD3  LYS  47           1HD      LYS  47   8.507   0.723  -6.007
  395    HE2  LYS  47           2HE      LYS  47  10.383   2.137  -6.257
  396    HE3  LYS  47           1HE      LYS  47  11.505   0.848  -5.824
  397    HZ1  LYS  47           3HZ      LYS  47   9.949   1.139  -8.326
  398    HZ2  LYS  47           1HZ      LYS  47  10.701  -0.313  -7.891
  399    HZ3  LYS  47           2HZ      LYS  47  11.630   1.078  -8.145
  400    H    LEU  48           H        LEU  48   9.960  -3.366  -1.696
  401    HA   LEU  48           HA       LEU  48  11.306  -5.222  -3.276
  402    HB2  LEU  48           2HB      LEU  48  10.252  -5.474  -0.460
  403    HB3  LEU  48           1HB      LEU  48  11.323  -6.644  -1.208
  404    HG   LEU  48           HG       LEU  48  12.158  -3.776  -1.081
  405   HD11  LEU  48          1HD1      LEU  48  11.865  -3.838   1.151
  406   HD12  LEU  48          2HD1      LEU  48  13.354  -4.785   1.112
  407   HD13  LEU  48          3HD1      LEU  48  11.792  -5.600   1.202
  408   HD21  LEU  48          3HD2      LEU  48  13.487  -6.453  -1.267
  409   HD22  LEU  48          1HD2      LEU  48  14.380  -5.034  -0.719
  410   HD23  LEU  48          2HD2      LEU  48  13.650  -5.051  -2.325
  411    H    VAL  49           H        VAL  49   8.186  -5.611  -1.594
  412    HA   VAL  49           HA       VAL  49   7.627  -8.177  -2.591
  413    HB   VAL  49           HB       VAL  49   6.485  -6.854  -0.678
  414   HG11  VAL  49          1HG1      VAL  49   4.696  -6.045  -2.960
  415   HG12  VAL  49          2HG1      VAL  49   5.713  -4.965  -2.007
  416   HG13  VAL  49          3HG1      VAL  49   4.365  -5.806  -1.245
  417   HG21  VAL  49          3HG2      VAL  49   4.255  -8.137  -1.308
  418   HG22  VAL  49          1HG2      VAL  49   5.722  -8.992  -0.829
  419   HG23  VAL  49          2HG2      VAL  49   5.308  -8.841  -2.536
  420    H    ILE  50           H        ILE  50   6.671  -4.970  -3.717
  421    HA   ILE  50           HA       ILE  50   5.106  -5.802  -5.894
  422    HB   ILE  50           HB       ILE  50   6.613  -3.236  -5.404
  423   HG12  ILE  50          2HG1      ILE  50   3.636  -3.688  -5.391
  424   HG13  ILE  50          1HG1      ILE  50   4.621  -3.967  -3.958
  425   HG21  ILE  50          1HG2      ILE  50   5.243  -4.151  -7.816
  426   HG22  ILE  50          2HG2      ILE  50   6.380  -2.825  -7.591
  427   HG23  ILE  50          3HG2      ILE  50   4.672  -2.595  -7.219
  428   HD11  ILE  50          3HD1      ILE  50   5.446  -1.514  -4.517
  429   HD12  ILE  50          1HD1      ILE  50   3.994  -1.828  -3.566
  430   HD13  ILE  50          2HD1      ILE  50   3.858  -1.434  -5.280
  431    H    ASN  51           H        ASN  51   8.035  -3.963  -6.520
  432    HA   ASN  51           HA       ASN  51   9.624  -4.133  -8.138
  433    HB2  ASN  51           2HB      ASN  51   9.471  -6.777  -6.830
  434    HB3  ASN  51           1HB      ASN  51  10.320  -6.742  -8.372
  435   HD21  ASN  51          1HD2      ASN  51  10.874  -6.725  -5.243
  436   HD22  ASN  51          2HD2      ASN  51  12.274  -5.715  -5.152
  437    H    GLU  52           H        GLU  52   6.783  -4.443  -8.990
  438    HA   GLU  52           HA       GLU  52   7.367  -5.452 -11.659
  439    HB2  GLU  52           2HB      GLU  52   5.218  -6.532  -9.861
  440    HB3  GLU  52           1HB      GLU  52   5.040  -6.585 -11.608
  441    HG2  GLU  52           2HG      GLU  52   7.560  -7.636 -10.468
  442    HG3  GLU  52           1HG      GLU  52   6.093  -8.576 -10.208
  443    HA   PRO  53           HA       PRO  53   5.412  -1.519 -12.554
  444    HB2  PRO  53           2HB      PRO  53   5.053  -2.875 -15.187
  445    HB3  PRO  53           1HB      PRO  53   5.698  -1.270 -14.827
  446    HG2  PRO  53           2HG      PRO  53   7.331  -3.265 -15.480
  447    HG3  PRO  53           1HG      PRO  53   7.781  -2.094 -14.226
  448    HD2  PRO  53           2HD      PRO  53   6.841  -4.911 -13.941
  449    HD3  PRO  53           1HD      PRO  53   8.012  -4.005 -12.962
  450    H    SER  54           H        SER  54   4.023  -4.677 -13.126
  451    HA   SER  54           HA       SER  54   1.422  -3.818 -13.844
  452    HB2  SER  54           2HB      SER  54   2.686  -6.379 -13.033
  453    HB3  SER  54           1HB      SER  54   0.939  -6.256 -12.813
  454    HG   SER  54           HG       SER  54   1.739  -7.038 -14.923
  455    H    ARG  55           H        ARG  55   3.052  -4.208 -10.800
  456    HA   ARG  55           HA       ARG  55   0.567  -3.999  -9.293
  457    HB2  ARG  55           2HB      ARG  55   3.287  -3.985  -8.042
  458    HB3  ARG  55           1HB      ARG  55   1.774  -4.596  -7.393
  459    HG2  ARG  55           2HG      ARG  55   1.878  -6.548  -8.686
  460    HG3  ARG  55           1HG      ARG  55   3.118  -5.879  -9.749
  461    HD2  ARG  55           2HD      ARG  55   4.765  -5.995  -8.030
  462    HD3  ARG  55           1HD      ARG  55   3.550  -6.384  -6.813
  463    HE   ARG  55           HE       ARG  55   4.804  -8.197  -8.655
  464   HH11  ARG  55          1HH1      ARG  55   1.982  -7.630  -6.681
  465   HH12  ARG  55          2HH1      ARG  55   1.578  -9.309  -6.555
  466   HH21  ARG  55          1HH2      ARG  55   4.275 -10.406  -8.490
  467   HH22  ARG  55          2HH2      ARG  55   2.881 -10.886  -7.580
  468    H    LEU  56           H        LEU  56   2.727  -1.872 -10.710
  469    HA   LEU  56           HA       LEU  56   3.207   0.116  -8.880
  470    HB2  LEU  56           2HB      LEU  56   2.822   0.044 -11.810
  471    HB3  LEU  56           1HB      LEU  56   2.686   1.618 -11.056
  472    HG   LEU  56           HG       LEU  56   5.074  -0.194 -10.727
  473   HD11  LEU  56          1HD1      LEU  56   5.017   0.379 -13.023
  474   HD12  LEU  56          2HD1      LEU  56   6.174   1.470 -12.260
  475   HD13  LEU  56          3HD1      LEU  56   4.556   2.044 -12.667
  476   HD21  LEU  56          3HD2      LEU  56   6.160   1.830  -9.897
  477   HD22  LEU  56          1HD2      LEU  56   4.753   1.413  -8.919
  478   HD23  LEU  56          2HD2      LEU  56   4.652   2.724 -10.094
  479    HA   PRO  57           HA       PRO  57  -1.214   2.029 -10.123
  480    HB2  PRO  57           2HB      PRO  57  -2.540  -0.636 -10.320
  481    HB3  PRO  57           1HB      PRO  57  -2.889   0.860 -11.193
  482    HG2  PRO  57           2HG      PRO  57  -1.596  -1.136 -12.386
  483    HG3  PRO  57           1HG      PRO  57  -1.142   0.552 -12.685
  484    HD2  PRO  57           2HD      PRO  57   0.229  -1.517 -11.034
  485    HD3  PRO  57           1HD      PRO  57   0.920  -0.199 -11.999
  486    H    LEU  58           H        LEU  58  -0.472  -0.819  -8.239
  487    HA   LEU  58           HA       LEU  58  -2.523  -0.801  -6.373
  488    HB2  LEU  58           2HB      LEU  58  -0.676  -2.500  -6.632
  489    HB3  LEU  58           1HB      LEU  58   0.364  -1.400  -5.749
  490    HG   LEU  58           HG       LEU  58  -1.940  -1.704  -4.164
  491   HD11  LEU  58          1HD1      LEU  58  -2.693  -3.653  -5.195
  492   HD12  LEU  58          2HD1      LEU  58  -1.752  -4.237  -3.823
  493   HD13  LEU  58          3HD1      LEU  58  -1.058  -4.266  -5.444
  494   HD21  LEU  58          3HD2      LEU  58  -0.418  -2.131  -2.553
  495   HD22  LEU  58          1HD2      LEU  58   0.719  -1.600  -3.791
  496   HD23  LEU  58          2HD2      LEU  58   0.441  -3.322  -3.528
  497    H    PHE  59           H        PHE  59   0.497   1.055  -6.383
  498    HA   PHE  59           HA       PHE  59   0.415   2.204  -3.888
  499    HB2  PHE  59           2HB      PHE  59   1.305   3.393  -6.517
  500    HB3  PHE  59           1HB      PHE  59   1.583   4.171  -4.962
  501    HD1  PHE  59           2HD      PHE  59   2.288   1.871  -3.274
  502    HD2  PHE  59           1HD      PHE  59   3.412   2.805  -7.270
  503    HE1  PHE  59           2HE      PHE  59   4.357   0.569  -2.992
  504    HE2  PHE  59           1HE      PHE  59   5.482   1.505  -6.996
  505    HZ   PHE  59           HZ       PHE  59   5.958   0.386  -4.855
  506    H    ASP  60           H        ASP  60  -1.549   2.936  -6.677
  507    HA   ASP  60           HA       ASP  60  -2.514   5.447  -6.039
  508    HB2  ASP  60           2HB      ASP  60  -3.007   3.721  -8.038
  509    HB3  ASP  60           1HB      ASP  60  -4.485   3.504  -7.105
  510    H    ALA  61           H        ALA  61  -3.908   2.316  -5.131
  511    HA   ALA  61           HA       ALA  61  -5.920   3.451  -3.458
  512    HB1  ALA  61           1HB      ALA  61  -4.945   0.617  -3.272
  513    HB2  ALA  61           2HB      ALA  61  -5.934   1.174  -4.621
  514    HB3  ALA  61           3HB      ALA  61  -6.563   1.252  -2.975
  515    H    ILE  62           H        ILE  62  -2.600   2.613  -2.963
  516    HA   ILE  62           HA       ILE  62  -2.721   2.248  -0.142
  517    HB   ILE  62           HB       ILE  62  -0.344   3.039  -1.828
  518   HG12  ILE  62          2HG1      ILE  62  -1.217   0.291  -0.911
  519   HG13  ILE  62          1HG1      ILE  62  -1.453   0.923  -2.539
  520   HG21  ILE  62          1HG2      ILE  62   0.843   3.086   0.048
  521   HG22  ILE  62          2HG2      ILE  62   0.304   1.460   0.464
  522   HG23  ILE  62          3HG2      ILE  62  -0.642   2.858   0.972
  523   HD11  ILE  62          3HD1      ILE  62   0.719  -0.510  -1.608
  524   HD12  ILE  62          1HD1      ILE  62   1.300   1.152  -1.704
  525   HD13  ILE  62          2HD1      ILE  62   0.610   0.373  -3.129
  526    H    ARG  63           H        ARG  63  -2.392   5.041  -2.220
  527    HA   ARG  63           HA       ARG  63  -1.392   6.847  -0.298
  528    HB2  ARG  63           2HB      ARG  63  -2.647   7.042  -2.966
  529    HB3  ARG  63           1HB      ARG  63  -2.780   8.475  -1.955
  530    HG2  ARG  63           2HG      ARG  63  -0.195   8.035  -1.618
  531    HG3  ARG  63           1HG      ARG  63  -0.383   7.224  -3.172
  532    HD2  ARG  63           2HD      ARG  63  -1.359  10.022  -2.653
  533    HD3  ARG  63           1HD      ARG  63   0.257   9.668  -3.261
  534    HE   ARG  63           HE       ARG  63  -2.158   9.665  -4.754
  535   HH11  ARG  63          1HH1      ARG  63   0.921   8.048  -4.471
  536   HH12  ARG  63          2HH1      ARG  63   0.962   7.566  -6.134
  537   HH21  ARG  63          1HH2      ARG  63  -2.107   9.032  -6.940
  538   HH22  ARG  63          2HH2      ARG  63  -0.757   8.124  -7.536
  539    HA   PRO  64           HA       PRO  64  -6.240   8.210  -0.018
  540    HB2  PRO  64           2HB      PRO  64  -7.004   5.309  -0.115
  541    HB3  PRO  64           1HB      PRO  64  -7.961   6.734  -0.545
  542    HG2  PRO  64           2HG      PRO  64  -6.791   5.264  -2.430
  543    HG3  PRO  64           1HG      PRO  64  -6.861   7.031  -2.560
  544    HD2  PRO  64           2HD      PRO  64  -4.554   5.275  -1.972
  545    HD3  PRO  64           1HD      PRO  64  -4.587   6.900  -2.680
  546    H    LEU  65           H        LEU  65  -5.354   4.981   1.261
  547    HA   LEU  65           HA       LEU  65  -6.451   5.477   3.824
  548    HB2  LEU  65           2HB      LEU  65  -4.902   3.511   4.479
  549    HB3  LEU  65           1HB      LEU  65  -6.246   3.222   3.392
  550    HG   LEU  65           HG       LEU  65  -3.890   3.889   1.877
  551   HD11  LEU  65          1HD1      LEU  65  -3.520   1.348   3.391
  552   HD12  LEU  65          2HD1      LEU  65  -2.947   2.866   4.082
  553   HD13  LEU  65          3HD1      LEU  65  -2.338   2.322   2.520
  554   HD21  LEU  65          3HD2      LEU  65  -5.841   2.728   0.998
  555   HD22  LEU  65          1HD2      LEU  65  -5.543   1.377   2.094
  556   HD23  LEU  65          2HD2      LEU  65  -4.388   1.744   0.812
  557    H    ILE  66           H        ILE  66  -3.344   6.059   2.384
  558    HA   ILE  66           HA       ILE  66  -1.992   6.613   4.849
  559    HB   ILE  66           HB       ILE  66  -1.308   6.549   1.999
  560   HG12  ILE  66          2HG1      ILE  66   0.633   6.231   4.250
  561   HG13  ILE  66          1HG1      ILE  66  -0.647   5.037   4.054
  562   HG21  ILE  66          1HG2      ILE  66   0.753   7.972   2.366
  563   HG22  ILE  66          2HG2      ILE  66  -0.077   8.633   3.775
  564   HG23  ILE  66          3HG2      ILE  66  -0.774   8.831   2.167
  565   HD11  ILE  66          3HD1      ILE  66   0.410   5.337   1.510
  566   HD12  ILE  66          1HD1      ILE  66   0.694   4.004   2.628
  567   HD13  ILE  66          2HD1      ILE  66   1.810   5.369   2.584
  568    HA   PRO  67           HA       PRO  67  -3.492  10.696   5.684
  569    HB2  PRO  67           2HB      PRO  67  -1.018  11.705   6.582
  570    HB3  PRO  67           1HB      PRO  67  -2.291  10.993   7.573
  571    HG2  PRO  67           2HG      PRO  67   0.200   9.766   6.520
  572    HG3  PRO  67           1HG      PRO  67  -0.670   9.435   8.027
  573    HD2  PRO  67           2HD      PRO  67  -0.765   7.743   5.947
  574    HD3  PRO  67           1HD      PRO  67  -2.176   8.010   6.992
  575    H    LEU  68           H        LEU  68  -3.283  12.849   4.964
  576    HA   LEU  68           HA       LEU  68  -2.689  13.220   2.307
  577    HB2  LEU  68           2HB      LEU  68  -2.261  15.740   3.499
  578    HB3  LEU  68           1HB      LEU  68  -3.701  15.152   2.698
  579    HG   LEU  68           HG       LEU  68  -4.470  14.244   4.907
  580   HD11  LEU  68          1HD1      LEU  68  -2.239  14.148   5.973
  581   HD12  LEU  68          2HD1      LEU  68  -3.422  15.035   6.933
  582   HD13  LEU  68          3HD1      LEU  68  -2.207  15.910   6.002
  583   HD21  LEU  68          3HD2      LEU  68  -3.974  17.197   4.610
  584   HD22  LEU  68          1HD2      LEU  68  -5.044  16.495   5.822
  585   HD23  LEU  68          2HD2      LEU  68  -5.399  16.289   4.107
  586    H    LYS  69           H        LYS  69  -0.748  14.792   4.854
  587    HA   LYS  69           HA       LYS  69   1.382  15.616   3.404
  588    HB2  LYS  69           2HB      LYS  69   0.891  14.983   6.183
  589    HB3  LYS  69           1HB      LYS  69   2.554  14.617   5.744
  590    HG2  LYS  69           2HG      LYS  69   3.069  16.755   5.906
  591    HG3  LYS  69           1HG      LYS  69   1.911  17.138   4.632
  592    HD2  LYS  69           2HD      LYS  69   0.224  17.647   6.142
  593    HD3  LYS  69           1HD      LYS  69   0.970  16.714   7.441
  594    HE2  LYS  69           2HE      LYS  69   2.881  18.459   7.253
  595    HE3  LYS  69           1HE      LYS  69   1.674  19.438   6.417
  596    HZ1  LYS  69           3HZ      LYS  69   1.664  19.983   8.732
  597    HZ2  LYS  69           1HZ      LYS  69   1.479  18.361   9.176
  598    HZ3  LYS  69           2HZ      LYS  69   0.226  19.167   8.377
  599    H    HIS  70           H        HIS  70   1.063  12.394   4.869
  600    HA   HIS  70           HA       HIS  70   3.517  11.414   3.840
  601    HB2  HIS  70           2HB      HIS  70   1.062   9.919   4.782
  602    HB3  HIS  70           1HB      HIS  70   2.629   9.183   4.464
  603    HD1  HIS  70           1HD      HIS  70   2.639   8.442   6.999
  604    HD2  HIS  70           2HD      HIS  70   2.766  12.546   6.350
  605    HE1  HIS  70           1HE      HIS  70   3.347   9.448   9.192
  606    HE2  HIS  70           2HE      HIS  70   3.341  11.936   8.797
  607    H    GLN  71           H        GLN  71   0.280  11.615   2.566
  608    HA   GLN  71           HA       GLN  71   0.493   9.737   0.488
  609    HB2  GLN  71           2HB      GLN  71  -1.377  11.723   1.343
  610    HB3  GLN  71           1HB      GLN  71  -1.121  11.912  -0.386
  611    HG2  GLN  71           2HG      GLN  71  -1.484   9.335  -0.438
  612    HG3  GLN  71           1HG      GLN  71  -2.259   9.609   1.121
  613   HE21  GLN  71          1HE2      GLN  71  -4.284  10.355   1.170
  614   HE22  GLN  71          2HE2      GLN  71  -5.192  10.848  -0.215
  615    H    VAL  72           H        VAL  72   0.955  13.252   0.451
  616    HA   VAL  72           HA       VAL  72   1.794  13.504  -2.196
  617    HB   VAL  72           HB       VAL  72   2.764  15.195   0.111
  618   HG11  VAL  72          1HG1      VAL  72   3.514  16.688  -1.400
  619   HG12  VAL  72          2HG1      VAL  72   2.190  16.377  -2.523
  620   HG13  VAL  72          3HG1      VAL  72   3.572  15.284  -2.463
  621   HG21  VAL  72          3HG2      VAL  72   0.116  14.983  -1.182
  622   HG22  VAL  72          1HG2      VAL  72   0.728  16.616  -0.903
  623   HG23  VAL  72          2HG2      VAL  72   0.547  15.498   0.449
  624    H    GLU  73           H        GLU  73   3.723  13.058   0.762
  625    HA   GLU  73           HA       GLU  73   6.229  13.044  -0.549
  626    HB2  GLU  73           2HB      GLU  73   5.441  11.781   2.086
  627    HB3  GLU  73           1HB      GLU  73   7.090  12.053   1.540
  628    HG2  GLU  73           2HG      GLU  73   5.027  14.144   2.186
  629    HG3  GLU  73           1HG      GLU  73   6.480  13.759   3.106
  630    H    TYR  74           H        TYR  74   3.908  10.511   0.220
  631    HA   TYR  74           HA       TYR  74   5.462   8.266  -0.303
  632    HB2  TYR  74           2HB      TYR  74   3.093   8.289   0.576
  633    HB3  TYR  74           1HB      TYR  74   2.553   8.572  -1.075
  634    HD1  TYR  74           2HD      TYR  74   4.590   6.184   0.944
  635    HD2  TYR  74           1HD      TYR  74   2.067   6.753  -2.434
  636    HE1  TYR  74           2HE      TYR  74   4.593   3.759   0.541
  637    HE2  TYR  74           1HE      TYR  74   2.062   4.329  -2.847
  638    HH   TYR  74           HH       TYR  74   4.184   2.272  -1.749
  639    H    ASP  75           H        ASP  75   3.670  10.370  -2.484
  640    HA   ASP  75           HA       ASP  75   4.319   8.904  -4.849
  641    HB2  ASP  75           2HB      ASP  75   2.659  11.114  -4.163
  642    HB3  ASP  75           1HB      ASP  75   3.734  11.637  -5.454
  643    H    GLN  76           H        GLN  76   5.787  11.520  -3.040
  644    HA   GLN  76           HA       GLN  76   7.575  12.418  -5.037
  645    HB2  GLN  76           2HB      GLN  76   6.942  13.134  -2.419
  646    HB3  GLN  76           1HB      GLN  76   8.632  12.651  -2.340
  647    HG2  GLN  76           2HG      GLN  76   8.101  14.342  -4.627
  648    HG3  GLN  76           1HG      GLN  76   7.641  15.116  -3.110
  649   HE21  GLN  76          1HE2      GLN  76   9.310  14.976  -1.361
  650   HE22  GLN  76          2HE2      GLN  76  10.958  15.196  -1.824
  651    H    LEU  77           H        LEU  77   7.679   9.768  -2.763
  652    HA   LEU  77           HA       LEU  77  10.471   9.211  -3.340
  653    HB2  LEU  77           2HB      LEU  77   8.503   7.702  -1.625
  654    HB3  LEU  77           1HB      LEU  77  10.223   7.383  -1.728
  655    HG   LEU  77           HG       LEU  77   9.224  10.068  -0.842
  656   HD11  LEU  77          1HD1      LEU  77   9.130   7.511   0.631
  657   HD12  LEU  77          2HD1      LEU  77   8.156   8.969   0.819
  658   HD13  LEU  77          3HD1      LEU  77   9.781   8.901   1.499
  659   HD21  LEU  77          3HD2      LEU  77  11.673   8.636   0.101
  660   HD22  LEU  77          1HD2      LEU  77  11.352  10.368   0.010
  661   HD23  LEU  77          2HD2      LEU  77  11.667   9.450  -1.463
  662    H    THR  78           H        THR  78   7.311   7.696  -3.814
  663    HA   THR  78           HA       THR  78   8.243   5.389  -5.128
  664    HB   THR  78           HB       THR  78   5.927   5.121  -5.901
  665    HG1  THR  78           1HG      THR  78   5.540   7.352  -6.346
  666   HG21  THR  78          3HG2      THR  78   5.988   4.331  -3.757
  667   HG22  THR  78          1HG2      THR  78   4.761   5.590  -3.618
  668   HG23  THR  78          2HG2      THR  78   6.410   5.901  -3.073
  669    HA   PRO  79           HA       PRO  79   9.704   7.136  -8.967
  670    HB2  PRO  79           2HB      PRO  79   9.033   4.413  -9.968
  671    HB3  PRO  79           1HB      PRO  79  10.535   5.329 -10.123
  672    HG2  PRO  79           2HG      PRO  79  10.354   3.307  -8.404
  673    HG3  PRO  79           1HG      PRO  79  11.245   4.782  -7.984
  674    HD2  PRO  79           2HD      PRO  79   8.542   3.880  -7.091
  675    HD3  PRO  79           1HD      PRO  79   9.799   4.747  -6.187
  676    H    ARG  80           H        ARG  80   8.884   7.676 -11.040
  677    HA   ARG  80           HA       ARG  80   6.076   7.010 -11.549
  678    HB2  ARG  80           2HB      ARG  80   6.703   9.391 -10.415
  679    HB3  ARG  80           1HB      ARG  80   6.832   9.810 -12.118
  680    HG2  ARG  80           2HG      ARG  80   4.420   8.315 -11.294
  681    HG3  ARG  80           1HG      ARG  80   4.557   9.985 -10.742
  682    HD2  ARG  80           2HD      ARG  80   3.958  10.725 -12.746
  683    HD3  ARG  80           1HD      ARG  80   5.299   9.860 -13.494
  684    HE   ARG  80           HE       ARG  80   3.818   8.286 -14.225
  685   HH11  ARG  80          1HH1      ARG  80   2.323  10.099 -11.645
  686   HH12  ARG  80          2HH1      ARG  80   0.775   9.349 -11.847
  687   HH21  ARG  80          1HH2      ARG  80   1.783   7.301 -14.493
  688   HH22  ARG  80          2HH2      ARG  80   0.467   7.760 -13.463
  Start of MODEL   13
    1    H1   MET   1           1HT      MET   1  -8.769  11.467   1.224
    2    H2   MET   1           2HT      MET   1  -9.582   9.956   1.166
    3    H3   MET   1           3HT      MET   1  -8.089  10.162   0.343
    4    HA   MET   1           HA       MET   1  -7.575   8.985   2.232
    5    HB2  MET   1           2HB      MET   1  -6.236  11.074   1.648
    6    HB3  MET   1           1HB      MET   1  -7.080  11.871   2.967
    7    HG2  MET   1           2HG      MET   1  -6.134   9.529   4.095
    8    HG3  MET   1           1HG      MET   1  -4.831  10.052   3.031
    9    HE1  MET   1           2HE      MET   1  -6.121  11.859   6.983
   10    HE2  MET   1           3HE      MET   1  -5.866  10.160   6.581
   11    HE3  MET   1           1HE      MET   1  -7.235  11.034   5.893
   12    H    ASP   2           H        ASP   2  -9.495   8.181   3.202
   13    HA   ASP   2           HA       ASP   2  -9.891   8.948   5.864
   14    HB2  ASP   2           2HB      ASP   2 -11.349  10.552   4.033
   15    HB3  ASP   2           1HB      ASP   2 -12.509   9.498   4.832
   16    H    ARG   3           H        ARG   3 -12.071   7.854   3.258
   17    HA   ARG   3           HA       ARG   3 -12.019   5.149   4.265
   18    HB2  ARG   3           2HB      ARG   3 -14.218   6.997   4.872
   19    HB3  ARG   3           1HB      ARG   3 -14.740   5.480   4.154
   20    HG2  ARG   3           2HG      ARG   3 -13.866   4.212   5.913
   21    HG3  ARG   3           1HG      ARG   3 -12.869   5.547   6.495
   22    HD2  ARG   3           2HD      ARG   3 -14.506   5.924   7.968
   23    HD3  ARG   3           1HD      ARG   3 -15.415   6.582   6.608
   24    HE   ARG   3           HE       ARG   3 -15.862   4.069   7.953
   25   HH11  ARG   3          1HH1      ARG   3 -16.428   5.937   5.058
   26   HH12  ARG   3          2HH1      ARG   3 -17.825   5.029   4.596
   27   HH21  ARG   3          1HH2      ARG   3 -17.702   2.874   7.345
   28   HH22  ARG   3          2HH2      ARG   3 -18.550   3.291   5.893
   29    H    LYS   4           H        LYS   4 -14.091   4.020   2.992
   30    HA   LYS   4           HA       LYS   4 -14.979   3.400   0.982
   31    HB2  LYS   4           2HB      LYS   4 -14.867   6.120   0.722
   32    HB3  LYS   4           1HB      LYS   4 -13.876   5.596  -0.633
   33    HG2  LYS   4           2HG      LYS   4 -16.296   4.040  -0.471
   34    HG3  LYS   4           1HG      LYS   4 -16.652   5.766  -0.535
   35    HD2  LYS   4           2HD      LYS   4 -14.717   4.470  -2.435
   36    HD3  LYS   4           1HD      LYS   4 -16.452   4.520  -2.758
   37    HE2  LYS   4           2HE      LYS   4 -15.959   7.109  -2.097
   38    HE3  LYS   4           1HE      LYS   4 -14.440   6.659  -2.871
   39    HZ1  LYS   4           3HZ      LYS   4 -15.954   7.531  -4.497
   40    HZ2  LYS   4           1HZ      LYS   4 -17.156   6.427  -4.050
   41    HZ3  LYS   4           2HZ      LYS   4 -15.735   5.880  -4.790
   42    H    VAL   5           H        VAL   5 -11.858   5.032   0.360
   43    HA   VAL   5           HA       VAL   5 -10.980   3.404  -1.697
   44    HB   VAL   5           HB       VAL   5  -9.149   4.557   0.405
   45   HG11  VAL   5          1HG1      VAL   5  -8.752   3.221  -2.105
   46   HG12  VAL   5          2HG1      VAL   5  -7.559   3.762  -0.926
   47   HG13  VAL   5          3HG1      VAL   5  -8.117   4.864  -2.185
   48   HG21  VAL   5          3HG2      VAL   5 -10.880   5.900  -1.554
   49   HG22  VAL   5          1HG2      VAL   5  -9.196   6.424  -1.563
   50   HG23  VAL   5          2HG2      VAL   5 -10.142   6.520  -0.077
   51    H    ALA   6           H        ALA   6 -11.130   2.741   1.706
   52    HA   ALA   6           HA       ALA   6  -9.227   0.711   1.927
   53    HB1  ALA   6           1HB      ALA   6 -11.773   0.481   3.446
   54    HB2  ALA   6           2HB      ALA   6 -10.761   1.901   3.709
   55    HB3  ALA   6           3HB      ALA   6 -10.109   0.287   3.995
   56    H    ARG   7           H        ARG   7 -12.668   0.517   1.115
   57    HA   ARG   7           HA       ARG   7 -12.749  -2.288   0.802
   58    HB2  ARG   7           2HB      ARG   7 -14.756  -0.864   1.115
   59    HB3  ARG   7           1HB      ARG   7 -14.514  -0.207  -0.498
   60    HG2  ARG   7           2HG      ARG   7 -14.750  -2.532  -1.388
   61    HG3  ARG   7           1HG      ARG   7 -15.211  -3.036   0.241
   62    HD2  ARG   7           2HD      ARG   7 -17.191  -1.820   0.190
   63    HD3  ARG   7           1HD      ARG   7 -16.624  -0.766  -1.104
   64    HE   ARG   7           HE       ARG   7 -17.347  -2.310  -2.638
   65   HH11  ARG   7          1HH1      ARG   7 -17.303  -3.781   0.526
   66   HH12  ARG   7          2HH1      ARG   7 -18.125  -5.214   0.008
   67   HH21  ARG   7          1HH2      ARG   7 -18.427  -4.194  -3.321
   68   HH22  ARG   7          2HH2      ARG   7 -18.763  -5.450  -2.177
   69    H    GLU   8           H        GLU   8 -12.604   0.307  -1.611
   70    HA   GLU   8           HA       GLU   8 -12.325  -1.323  -3.865
   71    HB2  GLU   8           2HB      GLU   8 -12.014   1.507  -3.229
   72    HB3  GLU   8           1HB      GLU   8 -10.887   0.975  -4.471
   73    HG2  GLU   8           2HG      GLU   8 -13.286  -0.150  -5.241
   74    HG3  GLU   8           1HG      GLU   8 -13.743   1.436  -4.623
   75    H    PHE   9           H        PHE   9  -9.983  -0.162  -1.538
   76    HA   PHE   9           HA       PHE   9  -7.626  -0.738  -2.941
   77    HB2  PHE   9           2HB      PHE   9  -7.607   0.594  -0.901
   78    HB3  PHE   9           1HB      PHE   9  -8.168  -0.787   0.037
   79    HD1  PHE   9           2HD      PHE   9  -5.550  -0.705  -2.594
   80    HD2  PHE   9           1HD      PHE   9  -6.434  -1.148   1.545
   81    HE1  PHE   9           2HE      PHE   9  -3.216  -1.357  -2.170
   82    HE2  PHE   9           1HE      PHE   9  -4.101  -1.800   1.977
   83    HZ   PHE   9           HZ       PHE   9  -2.490  -1.907   0.118
   84    H    ARG  10           H        ARG  10  -9.460  -2.716  -0.619
   85    HA   ARG  10           HA       ARG  10  -7.841  -4.985  -0.689
   86    HB2  ARG  10           2HB      ARG  10 -10.825  -4.750  -0.264
   87    HB3  ARG  10           1HB      ARG  10  -9.901  -6.215   0.029
   88    HG2  ARG  10           2HG      ARG  10  -8.799  -3.879   1.374
   89    HG3  ARG  10           1HG      ARG  10 -10.448  -4.262   1.869
   90    HD2  ARG  10           2HD      ARG  10  -9.726  -6.602   2.271
   91    HD3  ARG  10           1HD      ARG  10  -8.071  -6.118   1.899
   92    HE   ARG  10           HE       ARG  10  -8.779  -4.404   3.862
   93   HH11  ARG  10          1HH1      ARG  10  -8.922  -7.879   3.578
   94   HH12  ARG  10          2HH1      ARG  10  -8.712  -8.152   5.276
   95   HH21  ARG  10          1HH2      ARG  10  -8.505  -4.760   6.096
   96   HH22  ARG  10          2HH2      ARG  10  -8.477  -6.380   6.705
   97    H    HIS  11           H        HIS  11 -10.627  -4.107  -2.703
   98    HA   HIS  11           HA       HIS  11 -10.634  -6.482  -4.243
   99    HB2  HIS  11           2HB      HIS  11 -11.984  -3.878  -4.306
  100    HB3  HIS  11           1HB      HIS  11 -11.720  -4.571  -5.903
  101    HD1  HIS  11           1HD      HIS  11 -12.532  -7.256  -5.981
  102    HD2  HIS  11           2HD      HIS  11 -14.292  -4.724  -3.197
  103    HE1  HIS  11           1HE      HIS  11 -14.682  -8.378  -5.317
  104    HE2  HIS  11           2HE      HIS  11 -15.681  -6.875  -3.559
  105    H    LYS  12           H        LYS  12  -9.075  -3.342  -4.656
  106    HA   LYS  12           HA       LYS  12  -8.101  -3.688  -7.252
  107    HB2  LYS  12           2HB      LYS  12  -7.944  -1.731  -5.303
  108    HB3  LYS  12           1HB      LYS  12  -6.273  -2.244  -5.490
  109    HG2  LYS  12           2HG      LYS  12  -7.345  -1.965  -8.082
  110    HG3  LYS  12           1HG      LYS  12  -7.830  -0.541  -7.157
  111    HD2  LYS  12           2HD      LYS  12  -5.650   0.126  -6.790
  112    HD3  LYS  12           1HD      LYS  12  -5.009  -1.503  -7.004
  113    HE2  LYS  12           2HE      LYS  12  -4.459  -0.924  -9.080
  114    HE3  LYS  12           1HE      LYS  12  -6.181  -0.871  -9.450
  115    HZ1  LYS  12           3HZ      LYS  12  -5.697   1.240  -9.996
  116    HZ2  LYS  12           1HZ      LYS  12  -4.308   1.305  -9.033
  117    HZ3  LYS  12           2HZ      LYS  12  -5.831   1.521  -8.333
  118    H    VAL  13           H        VAL  13  -6.349  -4.153  -4.180
  119    HA   VAL  13           HA       VAL  13  -4.007  -5.206  -5.195
  120    HB   VAL  13           HB       VAL  13  -5.351  -6.005  -2.607
  121   HG11  VAL  13          1HG1      VAL  13  -3.625  -7.549  -2.942
  122   HG12  VAL  13          2HG1      VAL  13  -2.904  -6.311  -1.914
  123   HG13  VAL  13          3HG1      VAL  13  -2.552  -6.336  -3.641
  124   HG21  VAL  13          3HG2      VAL  13  -4.688  -3.484  -3.308
  125   HG22  VAL  13          1HG2      VAL  13  -3.163  -4.033  -2.611
  126   HG23  VAL  13          2HG2      VAL  13  -4.642  -4.089  -1.651
  127    H    ASP  14           H        ASP  14  -6.964  -6.950  -4.263
  128    HA   ASP  14           HA       ASP  14  -6.042  -9.543  -4.739
  129    HB2  ASP  14           2HB      ASP  14  -8.326  -8.581  -3.756
  130    HB3  ASP  14           1HB      ASP  14  -8.873  -8.891  -5.401
  131    H    PHE  15           H        PHE  15  -7.491  -7.173  -6.917
  132    HA   PHE  15           HA       PHE  15  -7.656  -8.894  -9.168
  133    HB2  PHE  15           2HB      PHE  15  -8.270  -6.153  -8.548
  134    HB3  PHE  15           1HB      PHE  15  -7.399  -6.228 -10.076
  135    HD1  PHE  15           1HD      PHE  15  -9.841  -8.600  -8.574
  136    HD2  PHE  15           2HD      PHE  15  -8.970  -5.885 -11.733
  137    HE1  PHE  15           1HE      PHE  15 -11.916  -9.270  -9.716
  138    HE2  PHE  15           2HE      PHE  15 -11.043  -6.550 -12.880
  139    HZ   PHE  15           HZ       PHE  15 -12.518  -8.243 -11.871
  140    H    LEU  16           H        LEU  16  -5.264  -6.493  -8.119
  141    HA   LEU  16           HA       LEU  16  -3.568  -6.864 -10.380
  142    HB2  LEU  16           2HB      LEU  16  -2.708  -5.771  -7.715
  143    HB3  LEU  16           1HB      LEU  16  -2.038  -5.416  -9.296
  144    HG   LEU  16           HG       LEU  16  -4.883  -4.695  -8.855
  145   HD11  LEU  16          1HD1      LEU  16  -3.576  -2.435  -8.014
  146   HD12  LEU  16          2HD1      LEU  16  -2.707  -3.720  -7.177
  147   HD13  LEU  16          3HD1      LEU  16  -4.453  -3.562  -6.980
  148   HD21  LEU  16          3HD2      LEU  16  -4.232  -2.780 -10.227
  149   HD22  LEU  16          1HD2      LEU  16  -3.792  -4.303 -11.000
  150   HD23  LEU  16          2HD2      LEU  16  -2.556  -3.329 -10.203
  151    H    ILE  17           H        ILE  17  -2.898  -7.570  -6.964
  152    HA   ILE  17           HA       ILE  17  -0.860  -9.465  -7.664
  153    HB   ILE  17           HB       ILE  17  -2.056  -9.020  -4.933
  154   HG12  ILE  17          2HG1      ILE  17   0.234  -7.568  -6.278
  155   HG13  ILE  17          1HG1      ILE  17  -1.327  -6.873  -5.855
  156   HG21  ILE  17          1HG2      ILE  17  -0.412 -10.308  -4.114
  157   HG22  ILE  17          2HG2      ILE  17   0.790  -9.654  -5.227
  158   HG23  ILE  17          3HG2      ILE  17  -0.304 -10.930  -5.761
  159   HD11  ILE  17          3HD1      ILE  17   0.785  -7.861  -3.959
  160   HD12  ILE  17          1HD1      ILE  17  -0.820  -7.315  -3.475
  161   HD13  ILE  17          2HD1      ILE  17   0.300  -6.190  -4.244
  162    H    GLU  18           H        GLU  18  -3.721  -9.852  -5.596
  163    HA   GLU  18           HA       GLU  18  -5.285 -11.512  -5.462
  164    HB2  GLU  18           2HB      GLU  18  -4.834 -11.534  -8.071
  165    HB3  GLU  18           1HB      GLU  18  -4.081 -13.079  -7.697
  166    HG2  GLU  18           2HG      GLU  18  -6.306 -13.562  -6.448
  167    HG3  GLU  18           1HG      GLU  18  -6.938 -12.260  -7.457
  168    H    ASN  19           H        ASN  19  -2.079 -11.804  -4.917
  169    HA   ASN  19           HA       ASN  19  -2.133 -14.632  -4.207
  170    HB2  ASN  19           2HB      ASN  19  -0.055 -12.683  -4.842
  171    HB3  ASN  19           1HB      ASN  19   0.327 -13.636  -3.413
  172   HD21  ASN  19          1HD2      ASN  19   0.272 -13.549  -6.776
  173   HD22  ASN  19          2HD2      ASN  19   0.659 -15.208  -7.077
  174    H    ASP  20           H        ASP  20  -2.896 -15.164  -2.276
  175    HA   ASP  20           HA       ASP  20  -3.460 -13.420  -0.191
  176    HB2  ASP  20           2HB      ASP  20  -3.935 -16.069  -0.685
  177    HB3  ASP  20           1HB      ASP  20  -2.799 -16.158   0.659
  178    H    ALA  21           H        ALA  21  -0.542 -15.254  -0.868
  179    HA   ALA  21           HA       ALA  21   0.747 -14.789   1.608
  180    HB1  ALA  21           1HB      ALA  21   1.279 -16.379  -0.496
  181    HB2  ALA  21           2HB      ALA  21   2.464 -15.972   0.746
  182    HB3  ALA  21           3HB      ALA  21   2.446 -15.085  -0.780
  183    H    GLU  22           H        GLU  22   1.222 -13.274  -1.567
  184    HA   GLU  22           HA       GLU  22   3.004 -11.287  -0.720
  185    HB2  GLU  22           2HB      GLU  22   1.224 -11.655  -3.086
  186    HB3  GLU  22           1HB      GLU  22   1.927 -10.066  -2.818
  187    HG2  GLU  22           2HG      GLU  22   3.967 -10.724  -3.448
  188    HG3  GLU  22           1HG      GLU  22   3.838 -12.269  -2.610
  189    H    LYS  23           H        LYS  23  -0.502 -11.409  -0.752
  190    HA   LYS  23           HA       LYS  23  -0.952  -8.665  -0.206
  191    HB2  LYS  23           2HB      LYS  23  -2.613 -11.153   0.123
  192    HB3  LYS  23           1HB      LYS  23  -3.198  -9.591   0.683
  193    HG2  LYS  23           2HG      LYS  23  -2.702  -8.775  -1.695
  194    HG3  LYS  23           1HG      LYS  23  -2.619 -10.486  -2.114
  195    HD2  LYS  23           2HD      LYS  23  -4.964  -9.721  -0.521
  196    HD3  LYS  23           1HD      LYS  23  -4.895  -8.996  -2.127
  197    HE2  LYS  23           2HE      LYS  23  -5.847 -10.912  -2.802
  198    HE3  LYS  23           1HE      LYS  23  -4.216 -11.571  -2.672
  199    HZ1  LYS  23           3HZ      LYS  23  -6.535 -12.005  -0.971
  200    HZ2  LYS  23           1HZ      LYS  23  -5.047 -11.875  -0.175
  201    HZ3  LYS  23           2HZ      LYS  23  -5.269 -13.056  -1.365
  202    H    ASP  24           H        ASP  24  -0.343 -11.468   1.818
  203    HA   ASP  24           HA       ASP  24  -0.978 -10.165   4.280
  204    HB2  ASP  24           2HB      ASP  24   0.205 -12.761   3.465
  205    HB3  ASP  24           1HB      ASP  24   0.635 -12.178   5.068
  206    H    TYR  25           H        TYR  25   1.855 -10.472   2.279
  207    HA   TYR  25           HA       TYR  25   3.747  -9.599   4.218
  208    HB2  TYR  25           2HB      TYR  25   3.953 -10.736   1.762
  209    HB3  TYR  25           1HB      TYR  25   4.317  -9.059   1.368
  210    HD1  TYR  25           1HD      TYR  25   6.317  -7.979   2.251
  211    HD2  TYR  25           2HD      TYR  25   5.451 -12.049   3.136
  212    HE1  TYR  25           1HE      TYR  25   8.628  -8.295   3.027
  213    HE2  TYR  25           2HE      TYR  25   7.759 -12.377   3.918
  214    HH   TYR  25           HH       TYR  25   9.725 -10.159   4.832
  215    H    LEU  26           H        LEU  26   2.074  -7.967   1.535
  216    HA   LEU  26           HA       LEU  26   3.192  -5.424   2.007
  217    HB2  LEU  26           2HB      LEU  26   1.616  -4.582   0.459
  218    HB3  LEU  26           1HB      LEU  26   2.040  -6.190  -0.095
  219    HG   LEU  26           HG       LEU  26  -0.113  -6.900   1.215
  220   HD11  LEU  26          1HD1      LEU  26  -0.268  -3.966   1.165
  221   HD12  LEU  26          2HD1      LEU  26  -1.039  -5.129   2.244
  222   HD13  LEU  26          3HD1      LEU  26  -1.726  -4.813   0.651
  223   HD21  LEU  26          3HD2      LEU  26   0.359  -6.949  -1.272
  224   HD22  LEU  26          1HD2      LEU  26  -0.454  -5.387  -1.359
  225   HD23  LEU  26          2HD2      LEU  26  -1.335  -6.809  -0.801
  226    H    TYR  27           H        TYR  27   0.386  -7.069   3.323
  227    HA   TYR  27           HA       TYR  27  -0.736  -4.764   4.578
  228    HB2  TYR  27           2HB      TYR  27  -1.525  -7.421   4.177
  229    HB3  TYR  27           1HB      TYR  27  -1.397  -7.246   5.923
  230    HD1  TYR  27           2HD      TYR  27  -2.944  -5.705   2.913
  231    HD2  TYR  27           1HD      TYR  27  -3.104  -6.202   7.135
  232    HE1  TYR  27           2HE      TYR  27  -5.138  -4.595   2.954
  233    HE2  TYR  27           1HE      TYR  27  -5.298  -5.094   7.189
  234    HH   TYR  27           HH       TYR  27  -6.570  -3.404   4.503
  235    H    ASP  28           H        ASP  28   1.596  -7.206   5.508
  236    HA   ASP  28           HA       ASP  28   1.669  -6.630   8.272
  237    HB2  ASP  28           2HB      ASP  28   2.762  -8.566   6.742
  238    HB3  ASP  28           1HB      ASP  28   4.172  -7.533   6.966
  239    H    VAL  29           H        VAL  29   3.599  -5.457   5.537
  240    HA   VAL  29           HA       VAL  29   5.329  -3.819   7.050
  241    HB   VAL  29           HB       VAL  29   4.489  -3.427   4.173
  242   HG11  VAL  29          1HG1      VAL  29   6.549  -2.202   5.912
  243   HG12  VAL  29          2HG1      VAL  29   5.649  -1.516   4.559
  244   HG13  VAL  29          3HG1      VAL  29   7.020  -2.582   4.254
  245   HG21  VAL  29          3HG2      VAL  29   5.347  -5.707   4.646
  246   HG22  VAL  29          1HG2      VAL  29   6.837  -4.984   5.250
  247   HG23  VAL  29          2HG2      VAL  29   6.384  -4.784   3.559
  248    H    LEU  30           H        LEU  30   2.261  -3.162   5.405
  249    HA   LEU  30           HA       LEU  30   2.181  -0.394   5.838
  250    HB2  LEU  30           2HB      LEU  30   0.156  -2.505   5.277
  251    HB3  LEU  30           1HB      LEU  30  -0.419  -0.941   5.823
  252    HG   LEU  30           HG       LEU  30   1.473  -1.112   3.507
  253   HD11  LEU  30          1HD1      LEU  30  -0.783  -2.570   3.421
  254   HD12  LEU  30          2HD1      LEU  30  -0.089  -1.761   2.017
  255   HD13  LEU  30          3HD1      LEU  30  -1.410  -1.004   2.907
  256   HD21  LEU  30          3HD2      LEU  30   0.199   0.933   2.855
  257   HD22  LEU  30          1HD2      LEU  30   1.090   1.082   4.369
  258   HD23  LEU  30          2HD2      LEU  30  -0.654   0.826   4.394
  259    H    ARG  31           H        ARG  31   0.916  -3.077   7.790
  260    HA   ARG  31           HA       ARG  31  -0.311  -1.573   9.789
  261    HB2  ARG  31           2HB      ARG  31   0.735  -4.336   9.560
  262    HB3  ARG  31           1HB      ARG  31   0.490  -3.727  11.192
  263    HG2  ARG  31           2HG      ARG  31  -1.843  -3.215  10.639
  264    HG3  ARG  31           1HG      ARG  31  -1.590  -3.869   9.020
  265    HD2  ARG  31           2HD      ARG  31  -2.626  -5.570  10.334
  266    HD3  ARG  31           1HD      ARG  31  -0.945  -6.035  10.082
  267    HE   ARG  31           HE       ARG  31  -0.871  -4.744  12.455
  268   HH11  ARG  31          1HH1      ARG  31  -2.846  -7.344  11.224
  269   HH12  ARG  31          2HH1      ARG  31  -3.067  -8.078  12.776
  270   HH21  ARG  31          1HH2      ARG  31  -1.158  -5.708  14.497
  271   HH22  ARG  31          2HH2      ARG  31  -2.110  -7.149  14.635
  272    H    MET  32           H        MET  32   3.008  -2.772   9.568
  273    HA   MET  32           HA       MET  32   3.824  -1.662  12.067
  274    HB2  MET  32           2HB      MET  32   5.309  -2.786   9.703
  275    HB3  MET  32           1HB      MET  32   6.161  -2.063  11.059
  276    HG2  MET  32           2HG      MET  32   4.265  -3.900  12.095
  277    HG3  MET  32           1HG      MET  32   5.148  -4.696  10.795
  278    HE1  MET  32           3HE      MET  32   5.651  -2.121  13.463
  279    HE2  MET  32           1HE      MET  32   7.163  -2.535  14.269
  280    HE3  MET  32           2HE      MET  32   5.679  -3.385  14.692
  281    H    TYR  33           H        TYR  33   3.744  -0.543   8.764
  282    HA   TYR  33           HA       TYR  33   5.486   1.646   8.979
  283    HB2  TYR  33           2HB      TYR  33   4.838   0.962   6.799
  284    HB3  TYR  33           1HB      TYR  33   3.126   1.078   7.187
  285    HD1  TYR  33           2HD      TYR  33   6.006   3.450   7.509
  286    HD2  TYR  33           1HD      TYR  33   2.122   2.724   5.933
  287    HE1  TYR  33           2HE      TYR  33   5.955   5.733   6.595
  288    HE2  TYR  33           1HE      TYR  33   2.062   5.003   5.016
  289    HH   TYR  33           HH       TYR  33   4.702   6.897   4.620
  290    H    HIS  34           H        HIS  34   2.105   1.244   9.821
  291    HA   HIS  34           HA       HIS  34   1.509   3.984  10.212
  292    HB2  HIS  34           2HB      HIS  34   0.210   1.402  10.760
  293    HB3  HIS  34           1HB      HIS  34  -0.218   2.682  11.891
  294    HD1  HIS  34           1HD      HIS  34  -2.027   1.332   9.562
  295    HD2  HIS  34           2HD      HIS  34  -0.284   5.104   9.560
  296    HE1  HIS  34           1HE      HIS  34  -3.390   2.701   7.954
  297    HE2  HIS  34           2HE      HIS  34  -2.264   4.954   7.903
  298    H    GLN  35           H        GLN  35   2.433   1.402  12.478
  299    HA   GLN  35           HA       GLN  35   2.489   3.158  14.733
  300    HB2  GLN  35           2HB      GLN  35   3.326   0.319  14.248
  301    HB3  GLN  35           1HB      GLN  35   3.776   1.131  15.742
  302    HG2  GLN  35           2HG      GLN  35   1.643   1.179  16.528
  303    HG3  GLN  35           1HG      GLN  35   0.931   1.234  14.914
  304   HE21  GLN  35          1HE2      GLN  35   3.201  -1.012  16.456
  305   HE22  GLN  35          2HE2      GLN  35   2.249  -2.429  16.190
  306    H    THR  36           H        THR  36   4.951   1.699  12.658
  307    HA   THR  36           HA       THR  36   7.152   2.852  14.059
  308    HB   THR  36           HB       THR  36   8.519   2.024  12.245
  309    HG1  THR  36           1HG      THR  36   6.057   1.731  10.880
  310   HG21  THR  36          3HG2      THR  36   8.208   0.084  13.305
  311   HG22  THR  36          1HG2      THR  36   7.190  -0.316  11.922
  312   HG23  THR  36          2HG2      THR  36   6.460   0.301  13.405
  313    H    MET  37           H        MET  37   5.183   3.815  11.324
  314    HA   MET  37           HA       MET  37   5.020   5.758  10.157
  315    HB2  MET  37           2HB      MET  37   6.377   6.743  12.660
  316    HB3  MET  37           1HB      MET  37   5.953   7.832  11.345
  317    HG2  MET  37           2HG      MET  37   3.820   6.055  12.360
  318    HG3  MET  37           1HG      MET  37   4.351   7.363  13.415
  319    HE1  MET  37           3HE      MET  37   1.126   7.187  11.243
  320    HE2  MET  37           1HE      MET  37   2.417   6.060  10.830
  321    HE3  MET  37           2HE      MET  37   1.945   7.319   9.687
  322    H    ASP  38           H        ASP  38   6.900   4.166   9.154
  323    HA   ASP  38           HA       ASP  38   9.173   5.954   8.581
  324    HB2  ASP  38           2HB      ASP  38   9.029   2.967   8.859
  325    HB3  ASP  38           1HB      ASP  38  10.290   3.707   7.878
  326    H    VAL  39           H        VAL  39   8.391   6.979   6.785
  327    HA   VAL  39           HA       VAL  39   6.980   5.684   4.695
  328    HB   VAL  39           HB       VAL  39   8.528   8.266   4.479
  329   HG11  VAL  39          1HG1      VAL  39   7.648   8.460   2.447
  330   HG12  VAL  39          2HG1      VAL  39   6.025   8.143   3.061
  331   HG13  VAL  39          3HG1      VAL  39   7.069   6.800   2.594
  332   HG21  VAL  39          3HG2      VAL  39   7.199   8.919   6.182
  333   HG22  VAL  39          1HG2      VAL  39   6.044   7.611   5.924
  334   HG23  VAL  39          2HG2      VAL  39   5.984   9.052   4.910
  335    H    ALA  40           H        ALA  40  10.369   6.669   5.070
  336    HA   ALA  40           HA       ALA  40  11.262   5.938   2.521
  337    HB1  ALA  40           1HB      ALA  40  12.575   7.308   4.068
  338    HB2  ALA  40           2HB      ALA  40  13.500   5.925   3.488
  339    HB3  ALA  40           3HB      ALA  40  12.811   5.906   5.110
  340    H    VAL  41           H        VAL  41  10.949   4.055   5.493
  341    HA   VAL  41           HA       VAL  41  12.173   1.704   4.428
  342    HB   VAL  41           HB       VAL  41  10.298   1.882   6.787
  343   HG11  VAL  41          1HG1      VAL  41  12.354  -0.143   5.932
  344   HG12  VAL  41          2HG1      VAL  41  10.621  -0.383   6.152
  345   HG13  VAL  41          3HG1      VAL  41  11.654  -0.092   7.551
  346   HG21  VAL  41          3HG2      VAL  41  12.327   3.452   6.790
  347   HG22  VAL  41          1HG2      VAL  41  13.292   1.985   6.953
  348   HG23  VAL  41          2HG2      VAL  41  12.099   2.398   8.185
  349    H    LEU  42           H        LEU  42   8.869   2.866   4.752
  350    HA   LEU  42           HA       LEU  42   7.565   0.480   4.005
  351    HB2  LEU  42           2HB      LEU  42   6.384   2.295   5.104
  352    HB3  LEU  42           1HB      LEU  42   6.688   3.355   3.742
  353    HG   LEU  42           HG       LEU  42   5.374   1.447   2.436
  354   HD11  LEU  42          1HD1      LEU  42   5.202   0.398   4.920
  355   HD12  LEU  42          2HD1      LEU  42   4.024   0.111   3.639
  356   HD13  LEU  42          3HD1      LEU  42   3.715   1.344   4.859
  357   HD21  LEU  42          3HD2      LEU  42   4.361   3.436   2.148
  358   HD22  LEU  42          1HD2      LEU  42   4.562   3.902   3.836
  359   HD23  LEU  42          2HD2      LEU  42   3.245   2.828   3.369
  360    H    VAL  43           H        VAL  43   8.625   3.291   2.121
  361    HA   VAL  43           HA       VAL  43   7.597   2.478  -0.358
  362    HB   VAL  43           HB       VAL  43  10.115   4.090   0.060
  363   HG11  VAL  43          1HG1      VAL  43  10.101   3.894  -2.185
  364   HG12  VAL  43          2HG1      VAL  43   8.874   5.156  -2.086
  365   HG13  VAL  43          3HG1      VAL  43   8.390   3.468  -2.244
  366   HG21  VAL  43          3HG2      VAL  43   7.518   4.682   0.978
  367   HG22  VAL  43          1HG2      VAL  43   7.797   5.698  -0.436
  368   HG23  VAL  43          2HG2      VAL  43   8.918   5.752   0.924
  369    H    GLY  44           H        GLY  44  10.772   1.919   1.137
  370    HA2  GLY  44           2HA      GLY  44  12.006   0.627  -1.009
  371    HA3  GLY  44           1HA      GLY  44  12.405   0.371   0.682
  372    H    ASP  45           H        ASP  45  10.548  -0.970   1.831
  373    HA   ASP  45           HA       ASP  45  10.689  -3.569   0.870
  374    HB2  ASP  45           2HB      ASP  45   9.956  -2.579   3.207
  375    HB3  ASP  45           1HB      ASP  45   8.339  -2.755   2.530
  376    H    LEU  46           H        LEU  46   7.968  -1.289   0.666
  377    HA   LEU  46           HA       LEU  46   6.202  -2.940  -0.723
  378    HB2  LEU  46           2HB      LEU  46   6.521   0.050  -0.649
  379    HB3  LEU  46           1HB      LEU  46   5.245  -0.725  -1.569
  380    HG   LEU  46           HG       LEU  46   5.641  -0.846   1.420
  381   HD11  LEU  46          1HD1      LEU  46   4.691   1.249   0.550
  382   HD12  LEU  46          2HD1      LEU  46   3.532   0.336   1.517
  383   HD13  LEU  46          3HD1      LEU  46   3.416   0.324  -0.243
  384   HD21  LEU  46          3HD2      LEU  46   4.848  -2.988   0.776
  385   HD22  LEU  46          1HD2      LEU  46   3.705  -2.293  -0.373
  386   HD23  LEU  46          2HD2      LEU  46   3.450  -2.083   1.359
  387    H    LYS  47           H        LYS  47   8.978  -1.159  -1.827
  388    HA   LYS  47           HA       LYS  47   8.301  -1.224  -4.604
  389    HB2  LYS  47           2HB      LYS  47   9.930   0.371  -3.452
  390    HB3  LYS  47           1HB      LYS  47  11.081  -0.959  -3.469
  391    HG2  LYS  47           2HG      LYS  47  11.001  -1.041  -5.884
  392    HG3  LYS  47           1HG      LYS  47   9.769   0.222  -5.908
  393    HD2  LYS  47           2HD      LYS  47  12.532   0.575  -4.753
  394    HD3  LYS  47           1HD      LYS  47  12.082   1.029  -6.399
  395    HE2  LYS  47           2HE      LYS  47  11.343   2.981  -5.645
  396    HE3  LYS  47           1HE      LYS  47  10.153   2.142  -4.652
  397    HZ1  LYS  47           3HZ      LYS  47  12.948   2.551  -3.768
  398    HZ2  LYS  47           1HZ      LYS  47  11.610   2.113  -2.830
  399    HZ3  LYS  47           2HZ      LYS  47  11.726   3.679  -3.456
  400    H    LEU  48           H        LEU  48  10.619  -3.057  -2.614
  401    HA   LEU  48           HA       LEU  48  11.563  -4.782  -4.567
  402    HB2  LEU  48           2HB      LEU  48  11.108  -5.320  -1.633
  403    HB3  LEU  48           1HB      LEU  48  12.058  -6.341  -2.694
  404    HG   LEU  48           HG       LEU  48  13.003  -3.628  -2.857
  405   HD11  LEU  48          1HD1      LEU  48  11.999  -3.539  -0.563
  406   HD12  LEU  48          2HD1      LEU  48  13.736  -3.244  -0.631
  407   HD13  LEU  48          3HD1      LEU  48  13.126  -4.808  -0.093
  408   HD21  LEU  48          3HD2      LEU  48  15.020  -4.994  -1.762
  409   HD22  LEU  48          1HD2      LEU  48  14.595  -5.116  -3.469
  410   HD23  LEU  48          2HD2      LEU  48  14.040  -6.346  -2.333
  411    H    VAL  49           H        VAL  49   8.588  -4.922  -2.709
  412    HA   VAL  49           HA       VAL  49   7.918  -7.540  -3.779
  413    HB   VAL  49           HB       VAL  49   7.370  -6.577  -1.397
  414   HG11  VAL  49          1HG1      VAL  49   6.097  -4.644  -2.170
  415   HG12  VAL  49          2HG1      VAL  49   5.111  -5.719  -1.179
  416   HG13  VAL  49          3HG1      VAL  49   4.926  -5.721  -2.933
  417   HG21  VAL  49          3HG2      VAL  49   6.727  -8.803  -2.609
  418   HG22  VAL  49          1HG2      VAL  49   5.118  -8.081  -2.635
  419   HG23  VAL  49          2HG2      VAL  49   5.940  -8.345  -1.097
  420    H    ILE  50           H        ILE  50   6.718  -4.215  -3.996
  421    HA   ILE  50           HA       ILE  50   4.833  -4.976  -6.086
  422    HB   ILE  50           HB       ILE  50   5.338  -2.206  -4.999
  423   HG12  ILE  50          2HG1      ILE  50   3.372  -4.320  -4.092
  424   HG13  ILE  50          1HG1      ILE  50   4.690  -3.636  -3.149
  425   HG21  ILE  50          1HG2      ILE  50   3.817  -1.519  -6.459
  426   HG22  ILE  50          2HG2      ILE  50   2.662  -2.718  -5.878
  427   HG23  ILE  50          3HG2      ILE  50   3.799  -3.138  -7.157
  428   HD11  ILE  50          3HD1      ILE  50   3.278  -1.409  -3.816
  429   HD12  ILE  50          1HD1      ILE  50   3.116  -2.305  -2.305
  430   HD13  ILE  50          2HD1      ILE  50   2.003  -2.615  -3.638
  431    H    ASN  51           H        ASN  51   7.877  -4.901  -6.404
  432    HA   ASN  51           HA       ASN  51   8.639  -2.801  -8.069
  433    HB2  ASN  51           2HB      ASN  51  10.463  -4.213  -8.791
  434    HB3  ASN  51           1HB      ASN  51  10.189  -4.480  -7.072
  435   HD21  ASN  51          1HD2      ASN  51   9.166  -6.413  -6.407
  436   HD22  ASN  51          2HD2      ASN  51   9.185  -7.817  -7.413
  437    H    GLU  52           H        GLU  52   7.034  -5.849  -8.828
  438    HA   GLU  52           HA       GLU  52   7.170  -5.890 -11.564
  439    HB2  GLU  52           2HB      GLU  52   5.666  -7.197  -9.567
  440    HB3  GLU  52           1HB      GLU  52   4.507  -6.618 -10.756
  441    HG2  GLU  52           2HG      GLU  52   6.953  -8.204 -11.479
  442    HG3  GLU  52           1HG      GLU  52   5.389  -8.936 -11.124
  443    HA   PRO  53           HA       PRO  53   5.444  -1.888 -12.705
  444    HB2  PRO  53           2HB      PRO  53   5.057  -3.507 -15.191
  445    HB3  PRO  53           1HB      PRO  53   5.674  -1.861 -15.010
  446    HG2  PRO  53           2HG      PRO  53   7.334  -3.909 -15.420
  447    HG3  PRO  53           1HG      PRO  53   7.769  -2.577 -14.336
  448    HD2  PRO  53           2HD      PRO  53   6.990  -5.362 -13.685
  449    HD3  PRO  53           1HD      PRO  53   8.007  -4.231 -12.774
  450    H    SER  54           H        SER  54   3.900  -5.016 -13.197
  451    HA   SER  54           HA       SER  54   1.330  -4.023 -13.862
  452    HB2  SER  54           2HB      SER  54   1.974  -6.320 -14.385
  453    HB3  SER  54           1HB      SER  54   2.143  -6.686 -12.669
  454    HG   SER  54           HG       SER  54   0.039  -7.117 -13.976
  455    H    ARG  55           H        ARG  55   2.971  -4.633 -10.847
  456    HA   ARG  55           HA       ARG  55   0.573  -4.354  -9.253
  457    HB2  ARG  55           2HB      ARG  55   3.486  -4.570  -8.477
  458    HB3  ARG  55           1HB      ARG  55   2.150  -4.529  -7.334
  459    HG2  ARG  55           2HG      ARG  55   1.395  -6.636  -7.944
  460    HG3  ARG  55           1HG      ARG  55   2.248  -6.598  -9.491
  461    HD2  ARG  55           2HD      ARG  55   4.396  -6.592  -8.162
  462    HD3  ARG  55           1HD      ARG  55   3.418  -6.941  -6.739
  463    HE   ARG  55           HE       ARG  55   2.680  -8.863  -8.502
  464   HH11  ARG  55          1HH1      ARG  55   5.762  -7.786  -7.272
  465   HH12  ARG  55          2HH1      ARG  55   6.502  -9.344  -7.409
  466   HH21  ARG  55          1HH2      ARG  55   3.652 -10.915  -8.681
  467   HH22  ARG  55          2HH2      ARG  55   5.305 -11.122  -8.210
  468    H    LEU  56           H        LEU  56   2.830  -2.247 -10.671
  469    HA   LEU  56           HA       LEU  56   3.241  -0.215  -8.899
  470    HB2  LEU  56           2HB      LEU  56   2.749  -0.217 -11.850
  471    HB3  LEU  56           1HB      LEU  56   2.943   1.302 -11.000
  472    HG   LEU  56           HG       LEU  56   4.984  -0.920 -10.971
  473   HD11  LEU  56          1HD1      LEU  56   4.495   0.262 -13.210
  474   HD12  LEU  56          2HD1      LEU  56   6.165   0.151 -12.656
  475   HD13  LEU  56          3HD1      LEU  56   5.270   1.659 -12.464
  476   HD21  LEU  56          3HD2      LEU  56   6.221   0.345  -9.588
  477   HD22  LEU  56          1HD2      LEU  56   4.685   1.113  -9.191
  478   HD23  LEU  56          2HD2      LEU  56   5.758   1.849 -10.383
  479    HA   PRO  57           HA       PRO  57  -1.046   1.869 -10.356
  480    HB2  PRO  57           2HB      PRO  57  -2.826  -0.336 -10.621
  481    HB3  PRO  57           1HB      PRO  57  -2.324   0.797 -11.875
  482    HG2  PRO  57           2HG      PRO  57  -1.302  -1.918 -11.262
  483    HG3  PRO  57           1HG      PRO  57  -1.361  -1.057 -12.810
  484    HD2  PRO  57           2HD      PRO  57   0.943  -1.407 -11.493
  485    HD3  PRO  57           1HD      PRO  57   0.611   0.094 -12.384
  486    H    LEU  58           H        LEU  58  -0.566  -1.056  -8.480
  487    HA   LEU  58           HA       LEU  58  -2.696  -0.865  -6.699
  488    HB2  LEU  58           2HB      LEU  58  -0.988  -2.735  -6.946
  489    HB3  LEU  58           1HB      LEU  58   0.071  -1.770  -5.934
  490    HG   LEU  58           HG       LEU  58  -2.672  -2.444  -4.953
  491   HD11  LEU  58          1HD1      LEU  58  -1.084  -4.458  -5.826
  492   HD12  LEU  58          2HD1      LEU  58  -2.236  -4.596  -4.498
  493   HD13  LEU  58          3HD1      LEU  58  -0.533  -4.290  -4.160
  494   HD21  LEU  58          3HD2      LEU  58  -0.007  -1.799  -3.730
  495   HD22  LEU  58          1HD2      LEU  58  -1.324  -2.501  -2.790
  496   HD23  LEU  58          2HD2      LEU  58  -1.534  -0.932  -3.567
  497    H    PHE  59           H        PHE  59   0.473   0.694  -6.625
  498    HA   PHE  59           HA       PHE  59   0.482   1.796  -4.105
  499    HB2  PHE  59           2HB      PHE  59   1.561   2.772  -6.730
  500    HB3  PHE  59           1HB      PHE  59   1.737   3.747  -5.275
  501    HD1  PHE  59           2HD      PHE  59   2.497   2.128  -3.172
  502    HD2  PHE  59           1HD      PHE  59   3.437   1.600  -7.288
  503    HE1  PHE  59           2HE      PHE  59   4.495   0.836  -2.546
  504    HE2  PHE  59           1HE      PHE  59   5.436   0.306  -6.670
  505    HZ   PHE  59           HZ       PHE  59   5.968  -0.078  -4.296
  506    H    ASP  60           H        ASP  60  -1.396   2.750  -6.881
  507    HA   ASP  60           HA       ASP  60  -2.128   5.331  -6.217
  508    HB2  ASP  60           2HB      ASP  60  -3.742   3.162  -7.562
  509    HB3  ASP  60           1HB      ASP  60  -4.245   4.848  -7.483
  510    H    ALA  61           H        ALA  61  -3.776   2.324  -5.308
  511    HA   ALA  61           HA       ALA  61  -5.692   3.620  -3.640
  512    HB1  ALA  61           1HB      ALA  61  -6.176   1.286  -2.859
  513    HB2  ALA  61           2HB      ALA  61  -4.868   0.736  -3.907
  514    HB3  ALA  61           3HB      ALA  61  -6.282   1.526  -4.603
  515    H    ILE  62           H        ILE  62  -2.423   2.682  -3.166
  516    HA   ILE  62           HA       ILE  62  -2.562   2.275  -0.338
  517    HB   ILE  62           HB       ILE  62  -0.134   2.973  -1.991
  518   HG12  ILE  62          2HG1      ILE  62  -1.303   0.276  -1.268
  519   HG13  ILE  62          1HG1      ILE  62  -1.229   0.979  -2.881
  520   HG21  ILE  62          1HG2      ILE  62  -0.474   1.790   0.756
  521   HG22  ILE  62          2HG2      ILE  62   0.335   3.294   0.316
  522   HG23  ILE  62          3HG2      ILE  62   1.043   1.746  -0.141
  523   HD11  ILE  62          3HD1      ILE  62   0.694  -0.620  -1.538
  524   HD12  ILE  62          1HD1      ILE  62   1.398   0.966  -1.851
  525   HD13  ILE  62          2HD1      ILE  62   0.734   0.017  -3.182
  526    H    ARG  63           H        ARG  63  -1.941   5.043  -2.426
  527    HA   ARG  63           HA       ARG  63  -0.901   6.787  -0.495
  528    HB2  ARG  63           2HB      ARG  63  -1.595   6.944  -3.199
  529    HB3  ARG  63           1HB      ARG  63  -2.574   8.173  -2.409
  530    HG2  ARG  63           2HG      ARG  63  -0.635   9.242  -1.514
  531    HG3  ARG  63           1HG      ARG  63   0.404   7.928  -2.071
  532    HD2  ARG  63           2HD      ARG  63   0.530   9.917  -3.521
  533    HD3  ARG  63           1HD      ARG  63  -0.055   8.489  -4.375
  534    HE   ARG  63           HE       ARG  63  -2.339   9.692  -3.614
  535   HH11  ARG  63          1HH1      ARG  63   0.505  10.881  -5.249
  536   HH12  ARG  63          2HH1      ARG  63  -0.360  12.086  -6.141
  537   HH21  ARG  63          1HH2      ARG  63  -3.479  11.274  -4.786
  538   HH22  ARG  63          2HH2      ARG  63  -2.621  12.310  -5.878
  539    HA   PRO  64           HA       PRO  64  -5.613   8.406  -0.085
  540    HB2  PRO  64           2HB      PRO  64  -6.696   5.634  -0.441
  541    HB3  PRO  64           1HB      PRO  64  -7.458   7.189  -0.800
  542    HG2  PRO  64           2HG      PRO  64  -6.432   5.726  -2.755
  543    HG3  PRO  64           1HG      PRO  64  -6.232   7.488  -2.750
  544    HD2  PRO  64           2HD      PRO  64  -4.252   5.356  -2.138
  545    HD3  PRO  64           1HD      PRO  64  -4.007   6.952  -2.865
  546    H    LEU  65           H        LEU  65  -5.048   5.001   0.841
  547    HA   LEU  65           HA       LEU  65  -6.121   5.285   3.435
  548    HB2  LEU  65           2HB      LEU  65  -5.007   3.111   3.894
  549    HB3  LEU  65           1HB      LEU  65  -6.021   3.112   2.464
  550    HG   LEU  65           HG       LEU  65  -3.823   3.538   1.166
  551   HD11  LEU  65          1HD1      LEU  65  -1.917   2.336   2.423
  552   HD12  LEU  65          2HD1      LEU  65  -2.825   2.757   3.876
  553   HD13  LEU  65          3HD1      LEU  65  -2.249   4.027   2.798
  554   HD21  LEU  65          3HD2      LEU  65  -3.321   1.076   1.212
  555   HD22  LEU  65          1HD2      LEU  65  -5.004   1.498   0.894
  556   HD23  LEU  65          2HD2      LEU  65  -4.524   0.929   2.493
  557    H    ILE  66           H        ILE  66  -3.136   6.278   2.134
  558    HA   ILE  66           HA       ILE  66  -1.661   6.110   4.607
  559    HB   ILE  66           HB       ILE  66  -0.940   6.324   1.931
  560   HG12  ILE  66          2HG1      ILE  66   1.367   6.866   3.440
  561   HG13  ILE  66          1HG1      ILE  66   0.307   5.955   4.510
  562   HG21  ILE  66          1HG2      ILE  66   0.317   8.305   1.625
  563   HG22  ILE  66          2HG2      ILE  66   0.079   8.799   3.300
  564   HG23  ILE  66          3HG2      ILE  66  -1.281   8.806   2.177
  565   HD11  ILE  66          3HD1      ILE  66   0.944   4.096   3.508
  566   HD12  ILE  66          1HD1      ILE  66   1.933   5.019   2.377
  567   HD13  ILE  66          2HD1      ILE  66   0.244   4.679   1.999
  568    HA   PRO  67           HA       PRO  67  -2.591   9.933   6.563
  569    HB2  PRO  67           2HB      PRO  67   0.304  10.607   6.500
  570    HB3  PRO  67           1HB      PRO  67  -0.803  10.521   7.874
  571    HG2  PRO  67           2HG      PRO  67   0.999   8.605   7.462
  572    HG3  PRO  67           1HG      PRO  67  -0.632   8.215   8.038
  573    HD2  PRO  67           2HD      PRO  67   0.537   7.911   5.304
  574    HD3  PRO  67           1HD      PRO  67  -0.593   6.852   6.173
  575    H    LEU  68           H        LEU  68  -2.692  12.201   6.262
  576    HA   LEU  68           HA       LEU  68  -2.955  13.092   3.659
  577    HB2  LEU  68           2HB      LEU  68  -2.217  15.307   5.371
  578    HB3  LEU  68           1HB      LEU  68  -3.741  14.966   4.582
  579    HG   LEU  68           HG       LEU  68  -4.153  13.336   6.550
  580   HD11  LEU  68          1HD1      LEU  68  -2.244  15.157   7.972
  581   HD12  LEU  68          2HD1      LEU  68  -1.706  13.623   7.286
  582   HD13  LEU  68          3HD1      LEU  68  -2.961  13.643   8.527
  583   HD21  LEU  68          3HD2      LEU  68  -4.094  16.236   7.303
  584   HD22  LEU  68          1HD2      LEU  68  -5.295  15.007   7.705
  585   HD23  LEU  68          2HD2      LEU  68  -5.188  15.630   6.059
  586    H    LYS  69           H        LYS  69  -0.404  14.305   5.842
  587    HA   LYS  69           HA       LYS  69   1.168  15.443   3.845
  588    HB2  LYS  69           2HB      LYS  69   2.171  14.274   6.445
  589    HB3  LYS  69           1HB      LYS  69   2.952  15.519   5.482
  590    HG2  LYS  69           2HG      LYS  69   0.341  15.769   6.958
  591    HG3  LYS  69           1HG      LYS  69   1.881  16.507   7.399
  592    HD2  LYS  69           2HD      LYS  69   1.324  17.226   4.714
  593    HD3  LYS  69           1HD      LYS  69  -0.145  17.498   5.653
  594    HE2  LYS  69           2HE      LYS  69   1.752  18.517   7.315
  595    HE3  LYS  69           1HE      LYS  69   2.437  18.892   5.734
  596    HZ1  LYS  69           3HZ      LYS  69   0.135  19.808   5.206
  597    HZ2  LYS  69           1HZ      LYS  69   1.114  20.717   6.244
  598    HZ3  LYS  69           2HZ      LYS  69  -0.140  19.774   6.873
  599    H    HIS  70           H        HIS  70   1.105  12.170   5.112
  600    HA   HIS  70           HA       HIS  70   3.474  11.243   3.912
  601    HB2  HIS  70           2HB      HIS  70   0.971   9.797   4.782
  602    HB3  HIS  70           1HB      HIS  70   2.406   8.967   4.190
  603    HD1  HIS  70           1HD      HIS  70   3.265   7.885   6.273
  604    HD2  HIS  70           2HD      HIS  70   2.401  11.913   6.823
  605    HE1  HIS  70           1HE      HIS  70   4.106   8.445   8.576
  606    HE2  HIS  70           2HE      HIS  70   3.507  10.869   8.915
  607    H    GLN  71           H        GLN  71   0.219  11.645   2.686
  608    HA   GLN  71           HA       GLN  71   0.400  10.028   0.403
  609    HB2  GLN  71           2HB      GLN  71  -1.327  12.217   1.329
  610    HB3  GLN  71           1HB      GLN  71  -1.210  12.086  -0.418
  611    HG2  GLN  71           2HG      GLN  71  -1.628   9.505   0.241
  612    HG3  GLN  71           1HG      GLN  71  -2.504  10.318   1.537
  613   HE21  GLN  71          1HE2      GLN  71  -2.027  10.926  -1.931
  614   HE22  GLN  71          2HE2      GLN  71  -3.705  11.078  -2.309
  615    H    VAL  72           H        VAL  72   0.897  13.527   0.699
  616    HA   VAL  72           HA       VAL  72   1.763  14.019  -1.896
  617    HB   VAL  72           HB       VAL  72   2.771  15.465   0.555
  618   HG11  VAL  72          1HG1      VAL  72   2.166  16.896  -1.948
  619   HG12  VAL  72          2HG1      VAL  72   3.545  15.797  -2.008
  620   HG13  VAL  72          3HG1      VAL  72   3.504  17.097  -0.817
  621   HG21  VAL  72          3HG2      VAL  72   0.151  15.667  -0.900
  622   HG22  VAL  72          1HG2      VAL  72   0.803  17.008   0.041
  623   HG23  VAL  72          2HG2      VAL  72   0.440  15.473   0.829
  624    H    GLU  73           H        GLU  73   3.671  13.206   0.994
  625    HA   GLU  73           HA       GLU  73   6.187  13.333  -0.282
  626    HB2  GLU  73           2HB      GLU  73   5.476  13.148   2.279
  627    HB3  GLU  73           1HB      GLU  73   5.766  11.440   1.983
  628    HG2  GLU  73           2HG      GLU  73   7.817  12.109   2.727
  629    HG3  GLU  73           1HG      GLU  73   8.021  12.291   0.984
  630    H    TYR  74           H        TYR  74   3.907  10.672   0.213
  631    HA   TYR  74           HA       TYR  74   5.482   8.562  -0.675
  632    HB2  TYR  74           2HB      TYR  74   2.988   8.655   0.211
  633    HB3  TYR  74           1HB      TYR  74   2.610   8.680  -1.507
  634    HD1  TYR  74           1HD      TYR  74   5.033   6.811   0.651
  635    HD2  TYR  74           2HD      TYR  74   1.981   6.617  -2.308
  636    HE1  TYR  74           1HE      TYR  74   5.272   4.365   0.572
  637    HE2  TYR  74           2HE      TYR  74   2.211   4.170  -2.392
  638    HH   TYR  74           HH       TYR  74   3.057   2.340  -0.709
  639    H    ASP  75           H        ASP  75   3.632  10.952  -2.464
  640    HA   ASP  75           HA       ASP  75   4.136   9.820  -5.038
  641    HB2  ASP  75           2HB      ASP  75   2.316  11.576  -4.192
  642    HB3  ASP  75           1HB      ASP  75   3.534  12.724  -4.739
  643    H    GLN  76           H        GLN  76   5.756  12.128  -2.954
  644    HA   GLN  76           HA       GLN  76   7.477  13.249  -4.896
  645    HB2  GLN  76           2HB      GLN  76   7.224  13.269  -1.983
  646    HB3  GLN  76           1HB      GLN  76   8.893  13.363  -2.527
  647    HG2  GLN  76           2HG      GLN  76   8.228  15.266  -3.993
  648    HG3  GLN  76           1HG      GLN  76   6.638  15.223  -3.231
  649   HE21  GLN  76          1HE2      GLN  76   8.860  17.238  -3.272
  650   HE22  GLN  76          2HE2      GLN  76   9.138  17.610  -1.608
  651    H    LEU  77           H        LEU  77   7.632  10.330  -2.969
  652    HA   LEU  77           HA       LEU  77  10.344   9.769  -3.878
  653    HB2  LEU  77           2HB      LEU  77   8.656   7.967  -2.172
  654    HB3  LEU  77           1HB      LEU  77  10.405   8.031  -2.289
  655    HG   LEU  77           HG       LEU  77   8.949  10.420  -1.243
  656   HD11  LEU  77          1HD1      LEU  77   9.416   7.851   0.242
  657   HD12  LEU  77          2HD1      LEU  77   7.914   8.758   0.070
  658   HD13  LEU  77          3HD1      LEU  77   9.227   9.405   1.054
  659   HD21  LEU  77          3HD2      LEU  77  11.134  10.115   0.271
  660   HD22  LEU  77          1HD2      LEU  77  11.150  10.953  -1.281
  661   HD23  LEU  77          2HD2      LEU  77  11.672   9.271  -1.181
  662    H    THR  78           H        THR  78   7.060   8.554  -4.215
  663    HA   THR  78           HA       THR  78   7.997   6.613  -6.202
  664    HB   THR  78           HB       THR  78   5.999   5.382  -5.844
  665    HG1  THR  78           1HG      THR  78   5.083   7.721  -4.558
  666   HG21  THR  78          3HG2      THR  78   5.901   4.977  -3.451
  667   HG22  THR  78          1HG2      THR  78   6.828   6.449  -3.156
  668   HG23  THR  78          2HG2      THR  78   7.569   5.095  -4.011
  669    HA   PRO  79           HA       PRO  79   6.626   9.782  -9.164
  670    HB2  PRO  79           2HB      PRO  79   7.181   7.445 -10.937
  671    HB3  PRO  79           1HB      PRO  79   7.664   9.136 -11.120
  672    HG2  PRO  79           2HG      PRO  79   9.421   7.308 -10.318
  673    HG3  PRO  79           1HG      PRO  79   9.417   8.935  -9.613
  674    HD2  PRO  79           2HD      PRO  79   8.443   6.365  -8.458
  675    HD3  PRO  79           1HD      PRO  79   9.202   7.751  -7.651
  676    H    ARG  80           H        ARG  80   4.938   9.835 -10.834
  677    HA   ARG  80           HA       ARG  80   2.725   8.056 -10.112
  678    HB2  ARG  80           2HB      ARG  80   2.592  10.643 -10.103
  679    HB3  ARG  80           1HB      ARG  80   2.483  10.494 -11.853
  680    HG2  ARG  80           2HG      ARG  80   0.531   8.934 -11.465
  681    HG3  ARG  80           1HG      ARG  80   0.571   9.463  -9.783
  682    HD2  ARG  80           2HD      ARG  80  -0.832  11.068 -10.486
  683    HD3  ARG  80           1HD      ARG  80   0.633  11.843 -11.085
  684    HE   ARG  80           HE       ARG  80  -0.556  10.018 -12.959
  685   HH11  ARG  80          1HH1      ARG  80  -0.575  13.293 -11.752
  686   HH12  ARG  80          2HH1      ARG  80  -1.240  13.957 -13.206
  687   HH21  ARG  80          1HH2      ARG  80  -1.431  10.891 -14.871
  688   HH22  ARG  80          2HH2      ARG  80  -1.727  12.594 -14.977
  Start of MODEL   14
    1    H1   MET   1           1HT      MET   1 -19.631   8.486   5.732
    2    H2   MET   1           2HT      MET   1 -19.165   8.191   7.357
    3    H3   MET   1           3HT      MET   1 -18.916   6.987   6.158
    4    HA   MET   1           HA       MET   1 -17.370   8.396   5.033
    5    HB2  MET   1           2HB      MET   1 -18.662  10.420   6.257
    6    HB3  MET   1           1HB      MET   1 -17.285  10.264   7.339
    7    HG2  MET   1           2HG      MET   1 -15.774  10.901   5.735
    8    HG3  MET   1           1HG      MET   1 -16.816  10.406   4.403
    9    HE1  MET   1           2HE      MET   1 -17.462  12.295   2.832
   10    HE2  MET   1           3HE      MET   1 -18.679  13.438   3.401
   11    HE3  MET   1           1HE      MET   1 -18.924  11.706   3.624
   12    H    ASP   2           H        ASP   2 -17.130   6.097   6.335
   13    HA   ASP   2           HA       ASP   2 -15.036   6.512   8.363
   14    HB2  ASP   2           2HB      ASP   2 -17.147   4.468   8.006
   15    HB3  ASP   2           1HB      ASP   2 -15.585   3.869   8.558
   16    H    ARG   3           H        ARG   3 -15.878   4.584   5.506
   17    HA   ARG   3           HA       ARG   3 -13.160   4.615   4.600
   18    HB2  ARG   3           2HB      ARG   3 -12.768   2.221   4.624
   19    HB3  ARG   3           1HB      ARG   3 -13.073   2.786   6.260
   20    HG2  ARG   3           2HG      ARG   3 -15.162   1.509   4.512
   21    HG3  ARG   3           1HG      ARG   3 -14.171   0.630   5.679
   22    HD2  ARG   3           2HD      ARG   3 -15.031   2.337   7.391
   23    HD3  ARG   3           1HD      ARG   3 -16.252   2.732   6.183
   24    HE   ARG   3           HE       ARG   3 -17.307   0.750   6.642
   25   HH11  ARG   3          1HH1      ARG   3 -14.112   0.690   8.044
   26   HH12  ARG   3          2HH1      ARG   3 -14.388  -0.775   8.923
   27   HH21  ARG   3          1HH2      ARG   3 -17.674  -1.177   7.800
   28   HH22  ARG   3          2HH2      ARG   3 -16.411  -1.836   8.786
   29    H    LYS   4           H        LYS   4 -13.081   4.456   2.432
   30    HA   LYS   4           HA       LYS   4 -15.395   3.310   1.029
   31    HB2  LYS   4           2HB      LYS   4 -15.237   5.173  -0.626
   32    HB3  LYS   4           1HB      LYS   4 -15.762   5.681   0.973
   33    HG2  LYS   4           2HG      LYS   4 -13.405   6.375   1.435
   34    HG3  LYS   4           1HG      LYS   4 -13.044   6.044  -0.261
   35    HD2  LYS   4           2HD      LYS   4 -14.490   7.751  -1.007
   36    HD3  LYS   4           1HD      LYS   4 -15.259   7.897   0.576
   37    HE2  LYS   4           2HE      LYS   4 -13.809   9.764   0.326
   38    HE3  LYS   4           1HE      LYS   4 -13.047   8.664   1.473
   39    HZ1  LYS   4           3HZ      LYS   4 -11.985   7.808  -0.808
   40    HZ2  LYS   4           1HZ      LYS   4 -11.273   9.004   0.154
   41    HZ3  LYS   4           2HZ      LYS   4 -12.199   9.441  -1.193
   42    H    VAL   5           H        VAL   5 -12.082   4.554   0.647
   43    HA   VAL   5           HA       VAL   5 -11.570   3.193  -1.783
   44    HB   VAL   5           HB       VAL   5  -9.459   4.018   0.202
   45   HG11  VAL   5          1HG1      VAL   5  -8.488   4.612  -2.234
   46   HG12  VAL   5          2HG1      VAL   5  -9.531   3.251  -2.645
   47   HG13  VAL   5          3HG1      VAL   5  -8.254   3.052  -1.446
   48   HG21  VAL   5          3HG2      VAL   5 -10.797   5.954   0.027
   49   HG22  VAL   5          1HG2      VAL   5 -11.051   5.717  -1.703
   50   HG23  VAL   5          2HG2      VAL   5  -9.464   6.198  -1.102
   51    H    ALA   6           H        ALA   6 -11.443   2.240   1.549
   52    HA   ALA   6           HA       ALA   6  -9.653   0.113   1.445
   53    HB1  ALA   6           1HB      ALA   6 -12.060  -0.223   3.128
   54    HB2  ALA   6           2HB      ALA   6 -11.078   1.214   3.410
   55    HB3  ALA   6           3HB      ALA   6 -10.355  -0.389   3.542
   56    H    ARG   7           H        ARG   7 -13.139   0.149   0.824
   57    HA   ARG   7           HA       ARG   7 -13.457  -2.597   0.370
   58    HB2  ARG   7           2HB      ARG   7 -15.316  -0.970   0.704
   59    HB3  ARG   7           1HB      ARG   7 -15.016  -0.351  -0.915
   60    HG2  ARG   7           2HG      ARG   7 -15.431  -3.257  -0.737
   61    HG3  ARG   7           1HG      ARG   7 -16.827  -2.258  -0.325
   62    HD2  ARG   7           2HD      ARG   7 -15.432  -1.345  -2.717
   63    HD3  ARG   7           1HD      ARG   7 -16.049  -2.990  -2.863
   64    HE   ARG   7           HE       ARG   7 -17.981  -1.155  -1.809
   65   HH11  ARG   7          1HH1      ARG   7 -16.549  -2.398  -4.738
   66   HH12  ARG   7          2HH1      ARG   7 -17.924  -2.020  -5.719
   67   HH21  ARG   7          1HH2      ARG   7 -19.792  -0.656  -3.098
   68   HH22  ARG   7          2HH2      ARG   7 -19.766  -1.030  -4.788
   69    H    GLU   8           H        GLU   8 -13.058   0.030  -1.981
   70    HA   GLU   8           HA       GLU   8 -12.860  -1.641  -4.243
   71    HB2  GLU   8           2HB      GLU   8 -12.756   1.156  -3.689
   72    HB3  GLU   8           1HB      GLU   8 -11.356   0.748  -4.671
   73    HG2  GLU   8           2HG      GLU   8 -14.158  -0.057  -5.396
   74    HG3  GLU   8           1HG      GLU   8 -13.415   1.453  -5.923
   75    H    PHE   9           H        PHE   9 -10.544  -0.560  -1.876
   76    HA   PHE   9           HA       PHE   9  -8.177  -1.137  -3.287
   77    HB2  PHE   9           2HB      PHE   9  -8.229   0.223  -1.233
   78    HB3  PHE   9           1HB      PHE   9  -8.677  -1.202  -0.303
   79    HD1  PHE   9           2HD      PHE   9  -7.024  -3.206  -0.428
   80    HD2  PHE   9           1HD      PHE   9  -6.009   0.802  -1.436
   81    HE1  PHE   9           2HE      PHE   9  -4.645  -3.726  -0.084
   82    HE2  PHE   9           1HE      PHE   9  -3.626   0.288  -1.095
   83    HZ   PHE   9           HZ       PHE   9  -2.943  -1.979  -0.418
   84    H    ARG  10           H        ARG  10  -9.932  -3.059  -0.850
   85    HA   ARG  10           HA       ARG  10  -8.330  -5.332  -0.957
   86    HB2  ARG  10           2HB      ARG  10 -10.371  -4.654   0.584
   87    HB3  ARG  10           1HB      ARG  10 -11.275  -5.634  -0.563
   88    HG2  ARG  10           2HG      ARG  10 -10.600  -6.929   1.384
   89    HG3  ARG  10           1HG      ARG  10  -9.846  -7.543  -0.089
   90    HD2  ARG  10           2HD      ARG  10  -7.753  -6.698   0.485
   91    HD3  ARG  10           1HD      ARG  10  -8.428  -5.558   1.649
   92    HE   ARG  10           HE       ARG  10  -7.736  -8.308   2.114
   93   HH11  ARG  10          1HH1      ARG  10  -9.716  -5.639   3.175
   94   HH12  ARG  10          2HH1      ARG  10  -9.887  -6.244   4.789
   95   HH21  ARG  10          1HH2      ARG  10  -7.960  -9.107   4.235
   96   HH22  ARG  10          2HH2      ARG  10  -8.889  -8.213   5.391
   97    H    HIS  11           H        HIS  11 -11.218  -4.510  -2.846
   98    HA   HIS  11           HA       HIS  11 -11.474  -6.906  -4.252
   99    HB2  HIS  11           2HB      HIS  11 -12.343  -4.098  -4.689
  100    HB3  HIS  11           1HB      HIS  11 -12.394  -5.176  -6.079
  101    HD1  HIS  11           1HD      HIS  11 -13.272  -7.738  -4.430
  102    HD2  HIS  11           2HD      HIS  11 -15.070  -3.995  -4.285
  103    HE1  HIS  11           1HE      HIS  11 -15.623  -8.152  -3.641
  104    HE2  HIS  11           2HE      HIS  11 -16.719  -5.884  -3.653
  105    H    LYS  12           H        LYS  12  -9.785  -3.925  -5.243
  106    HA   LYS  12           HA       LYS  12  -8.780  -4.951  -7.658
  107    HB2  LYS  12           2HB      LYS  12  -7.299  -3.038  -7.680
  108    HB3  LYS  12           1HB      LYS  12  -8.887  -2.543  -7.117
  109    HG2  LYS  12           2HG      LYS  12  -8.155  -2.079  -5.017
  110    HG3  LYS  12           1HG      LYS  12  -6.878  -3.294  -5.072
  111    HD2  LYS  12           2HD      LYS  12  -5.765  -1.222  -5.112
  112    HD3  LYS  12           1HD      LYS  12  -5.736  -1.798  -6.780
  113    HE2  LYS  12           2HE      LYS  12  -8.038  -0.404  -6.804
  114    HE3  LYS  12           1HE      LYS  12  -7.143   0.506  -5.586
  115    HZ1  LYS  12           3HZ      LYS  12  -5.287   0.258  -7.469
  116    HZ2  LYS  12           1HZ      LYS  12  -6.361   1.562  -7.395
  117    HZ3  LYS  12           2HZ      LYS  12  -6.670   0.270  -8.442
  118    H    VAL  13           H        VAL  13  -7.594  -5.162  -4.369
  119    HA   VAL  13           HA       VAL  13  -4.947  -5.919  -4.903
  120    HB   VAL  13           HB       VAL  13  -6.719  -6.698  -2.581
  121   HG11  VAL  13          1HG1      VAL  13  -3.840  -7.223  -3.156
  122   HG12  VAL  13          2HG1      VAL  13  -5.043  -8.257  -2.384
  123   HG13  VAL  13          3HG1      VAL  13  -4.340  -6.908  -1.493
  124   HG21  VAL  13          3HG2      VAL  13  -6.291  -4.697  -1.690
  125   HG22  VAL  13          1HG2      VAL  13  -5.710  -4.218  -3.284
  126   HG23  VAL  13          2HG2      VAL  13  -4.573  -4.809  -2.074
  127    H    ASP  14           H        ASP  14  -7.822  -7.939  -4.319
  128    HA   ASP  14           HA       ASP  14  -6.565 -10.416  -4.704
  129    HB2  ASP  14           2HB      ASP  14  -9.440  -9.556  -5.058
  130    HB3  ASP  14           1HB      ASP  14  -8.913 -11.230  -5.209
  131    H    PHE  15           H        PHE  15  -8.238  -8.271  -6.974
  132    HA   PHE  15           HA       PHE  15  -7.994  -9.993  -9.217
  133    HB2  PHE  15           2HB      PHE  15  -9.635  -8.105  -9.005
  134    HB3  PHE  15           1HB      PHE  15  -8.297  -6.986  -9.241
  135    HD1  PHE  15           1HD      PHE  15  -9.158 -10.193 -10.931
  136    HD2  PHE  15           2HD      PHE  15  -8.561  -5.996 -11.301
  137    HE1  PHE  15           1HE      PHE  15  -9.445 -10.372 -13.368
  138    HE2  PHE  15           2HE      PHE  15  -8.846  -6.166 -13.738
  139    HZ   PHE  15           HZ       PHE  15  -9.289  -8.356 -14.775
  140    H    LEU  16           H        LEU  16  -5.950  -7.497  -7.842
  141    HA   LEU  16           HA       LEU  16  -4.134  -7.514 -10.092
  142    HB2  LEU  16           2HB      LEU  16  -4.266  -6.058  -7.487
  143    HB3  LEU  16           1HB      LEU  16  -2.756  -6.098  -8.375
  144    HG   LEU  16           HG       LEU  16  -5.089  -5.311  -9.984
  145   HD11  LEU  16          1HD1      LEU  16  -5.786  -3.510  -8.872
  146   HD12  LEU  16          2HD1      LEU  16  -4.147  -3.046  -8.420
  147   HD13  LEU  16          3HD1      LEU  16  -5.024  -4.235  -7.457
  148   HD21  LEU  16          3HD2      LEU  16  -3.268  -3.397 -10.338
  149   HD22  LEU  16          1HD2      LEU  16  -3.177  -4.959 -11.152
  150   HD23  LEU  16          2HD2      LEU  16  -2.215  -4.662  -9.705
  151    H    ILE  17           H        ILE  17  -3.477  -7.941  -6.635
  152    HA   ILE  17           HA       ILE  17  -1.086  -9.330  -6.949
  153    HB   ILE  17           HB       ILE  17  -2.956  -9.772  -4.630
  154   HG12  ILE  17          2HG1      ILE  17  -2.848  -7.374  -4.953
  155   HG13  ILE  17          1HG1      ILE  17  -1.847  -7.804  -3.571
  156   HG21  ILE  17          1HG2      ILE  17  -0.583 -10.922  -5.126
  157   HG22  ILE  17          2HG2      ILE  17  -1.175 -10.578  -3.500
  158   HG23  ILE  17          3HG2      ILE  17  -0.042  -9.472  -4.279
  159   HD11  ILE  17          3HD1      ILE  17  -1.127  -6.304  -5.821
  160   HD12  ILE  17          1HD1      ILE  17  -0.259  -7.834  -5.946
  161   HD13  ILE  17          2HD1      ILE  17  -0.091  -6.842  -4.498
  162    H    GLU  18           H        GLU  18  -4.254 -10.682  -6.093
  163    HA   GLU  18           HA       GLU  18  -5.265 -12.647  -6.678
  164    HB2  GLU  18           2HB      GLU  18  -3.627 -12.250  -8.812
  165    HB3  GLU  18           1HB      GLU  18  -3.008 -13.778  -8.201
  166    HG2  GLU  18           2HG      GLU  18  -5.430 -14.567  -8.212
  167    HG3  GLU  18           1HG      GLU  18  -5.764 -13.140  -9.190
  168    H    ASN  19           H        ASN  19  -2.453 -12.318  -4.952
  169    HA   ASN  19           HA       ASN  19  -2.459 -15.138  -4.143
  170    HB2  ASN  19           2HB      ASN  19  -0.317 -13.784  -5.024
  171    HB3  ASN  19           1HB      ASN  19  -0.228 -13.359  -3.316
  172   HD21  ASN  19          1HD2      ASN  19   1.387 -14.546  -2.556
  173   HD22  ASN  19          2HD2      ASN  19   1.525 -16.261  -2.702
  174    H    ASP  20           H        ASP  20  -1.801 -15.436  -1.785
  175    HA   ASP  20           HA       ASP  20  -3.400 -13.579  -0.169
  176    HB2  ASP  20           2HB      ASP  20  -3.889 -16.107  -0.261
  177    HB3  ASP  20           1HB      ASP  20  -2.442 -16.290   0.727
  178    H    ALA  21           H        ALA  21  -0.294 -15.247  -0.267
  179    HA   ALA  21           HA       ALA  21   0.718 -14.177   2.150
  180    HB1  ALA  21           1HB      ALA  21   2.612 -14.882  -0.014
  181    HB2  ALA  21           2HB      ALA  21   1.537 -16.154   0.566
  182    HB3  ALA  21           3HB      ALA  21   2.618 -15.333   1.691
  183    H    GLU  22           H        GLU  22   0.921 -13.141  -1.214
  184    HA   GLU  22           HA       GLU  22   2.750 -11.038  -0.836
  185    HB2  GLU  22           2HB      GLU  22   0.603 -11.449  -2.918
  186    HB3  GLU  22           1HB      GLU  22   1.785 -10.148  -2.985
  187    HG2  GLU  22           2HG      GLU  22   2.643 -13.008  -2.785
  188    HG3  GLU  22           1HG      GLU  22   2.222 -12.282  -4.336
  189    H    LYS  23           H        LYS  23  -0.793 -11.024  -0.989
  190    HA   LYS  23           HA       LYS  23  -1.153  -8.285  -0.529
  191    HB2  LYS  23           2HB      LYS  23  -3.449  -8.886   0.148
  192    HB3  LYS  23           1HB      LYS  23  -2.964  -9.687  -1.340
  193    HG2  LYS  23           2HG      LYS  23  -2.802 -11.762  -0.322
  194    HG3  LYS  23           1HG      LYS  23  -2.683 -11.068   1.295
  195    HD2  LYS  23           2HD      LYS  23  -4.874 -12.106   0.907
  196    HD3  LYS  23           1HD      LYS  23  -5.010 -10.371   1.193
  197    HE2  LYS  23           2HE      LYS  23  -4.716 -10.580  -1.556
  198    HE3  LYS  23           1HE      LYS  23  -5.758 -11.938  -1.134
  199    HZ1  LYS  23           3HZ      LYS  23  -7.383 -10.432  -1.200
  200    HZ2  LYS  23           1HZ      LYS  23  -6.322  -9.117  -1.111
  201    HZ3  LYS  23           2HZ      LYS  23  -6.812  -9.908   0.302
  202    H    ASP  24           H        ASP  24  -0.581 -10.956   1.653
  203    HA   ASP  24           HA       ASP  24  -1.239  -9.540   4.044
  204    HB2  ASP  24           2HB      ASP  24  -0.327 -12.190   3.326
  205    HB3  ASP  24           1HB      ASP  24   0.584 -11.577   4.702
  206    H    TYR  25           H        TYR  25   1.623  -9.935   2.087
  207    HA   TYR  25           HA       TYR  25   3.509  -8.976   3.971
  208    HB2  TYR  25           2HB      TYR  25   3.687 -10.127   1.508
  209    HB3  TYR  25           1HB      TYR  25   4.063  -8.452   1.120
  210    HD1  TYR  25           2HD      TYR  25   4.903 -10.542   4.099
  211    HD2  TYR  25           1HD      TYR  25   6.347  -8.307   0.780
  212    HE1  TYR  25           2HE      TYR  25   7.209 -10.885   4.879
  213    HE2  TYR  25           1HE      TYR  25   8.657  -8.645   1.549
  214    HH   TYR  25           HH       TYR  25   9.702 -10.804   3.344
  215    H    LEU  26           H        LEU  26   1.573  -7.417   1.459
  216    HA   LEU  26           HA       LEU  26   2.723  -4.840   1.753
  217    HB2  LEU  26           2HB      LEU  26  -0.106  -5.086   0.884
  218    HB3  LEU  26           1HB      LEU  26   1.187  -4.110   0.218
  219    HG   LEU  26           HG       LEU  26   0.643  -7.031  -0.258
  220   HD11  LEU  26          1HD1      LEU  26  -0.600  -5.860  -1.791
  221   HD12  LEU  26          2HD1      LEU  26   0.919  -6.058  -2.668
  222   HD13  LEU  26          3HD1      LEU  26   0.553  -4.526  -1.871
  223   HD21  LEU  26          3HD2      LEU  26   2.816  -6.261  -1.833
  224   HD22  LEU  26          1HD2      LEU  26   2.826  -7.389  -0.477
  225   HD23  LEU  26          2HD2      LEU  26   3.191  -5.685  -0.208
  226    H    TYR  27           H        TYR  27  -0.187  -6.345   3.071
  227    HA   TYR  27           HA       TYR  27  -1.102  -4.104   4.511
  228    HB2  TYR  27           2HB      TYR  27  -1.597  -7.060   4.734
  229    HB3  TYR  27           1HB      TYR  27  -2.280  -5.942   5.912
  230    HD1  TYR  27           2HD      TYR  27  -1.882  -5.789   2.194
  231    HD2  TYR  27           1HD      TYR  27  -4.539  -5.680   5.517
  232    HE1  TYR  27           2HE      TYR  27  -3.759  -5.337   0.672
  233    HE2  TYR  27           1HE      TYR  27  -6.422  -5.230   4.004
  234    HH   TYR  27           HH       TYR  27  -6.832  -4.340   1.786
  235    H    ASP  28           H        ASP  28   1.189  -6.646   5.267
  236    HA   ASP  28           HA       ASP  28   1.405  -6.157   8.039
  237    HB2  ASP  28           2HB      ASP  28   2.954  -7.632   5.993
  238    HB3  ASP  28           1HB      ASP  28   3.858  -7.127   7.417
  239    H    VAL  29           H        VAL  29   3.231  -4.943   5.251
  240    HA   VAL  29           HA       VAL  29   5.115  -3.427   6.664
  241    HB   VAL  29           HB       VAL  29   3.975  -2.751   3.949
  242   HG11  VAL  29          1HG1      VAL  29   5.972  -1.564   3.549
  243   HG12  VAL  29          2HG1      VAL  29   6.753  -2.240   4.979
  244   HG13  VAL  29          3HG1      VAL  29   5.443  -1.073   5.159
  245   HG21  VAL  29          3HG2      VAL  29   5.093  -4.449   3.004
  246   HG22  VAL  29          1HG2      VAL  29   5.109  -5.149   4.622
  247   HG23  VAL  29          2HG2      VAL  29   6.498  -4.228   4.046
  248    H    LEU  30           H        LEU  30   1.903  -2.583   5.427
  249    HA   LEU  30           HA       LEU  30   1.951   0.145   6.070
  250    HB2  LEU  30           2HB      LEU  30  -0.198  -1.873   5.613
  251    HB3  LEU  30           1HB      LEU  30  -0.642  -0.318   6.293
  252    HG   LEU  30           HG       LEU  30   1.021  -0.333   3.823
  253   HD11  LEU  30          1HD1      LEU  30  -0.765  -2.021   3.446
  254   HD12  LEU  30          2HD1      LEU  30  -0.878  -0.612   2.392
  255   HD13  LEU  30          3HD1      LEU  30  -1.960  -0.766   3.777
  256   HD21  LEU  30          3HD2      LEU  30  -0.025   1.727   3.412
  257   HD22  LEU  30          1HD2      LEU  30   0.282   1.713   5.150
  258   HD23  LEU  30          2HD2      LEU  30  -1.339   1.382   4.536
  259    H    ARG  31           H        ARG  31   0.836  -2.657   7.945
  260    HA   ARG  31           HA       ARG  31  -0.125  -1.306  10.180
  261    HB2  ARG  31           2HB      ARG  31  -0.156  -3.848   9.542
  262    HB3  ARG  31           1HB      ARG  31   1.329  -3.907  10.482
  263    HG2  ARG  31           2HG      ARG  31  -0.172  -2.647  12.258
  264    HG3  ARG  31           1HG      ARG  31  -1.464  -3.454  11.367
  265    HD2  ARG  31           2HD      ARG  31  -0.632  -5.585  11.867
  266    HD3  ARG  31           1HD      ARG  31   0.949  -4.956  12.330
  267    HE   ARG  31           HE       ARG  31  -0.741  -3.835  14.133
  268   HH11  ARG  31          1HH1      ARG  31  -0.142  -7.116  13.106
  269   HH12  ARG  31          2HH1      ARG  31  -0.554  -7.804  14.640
  270   HH21  ARG  31          1HH2      ARG  31  -1.283  -4.737  16.152
  271   HH22  ARG  31          2HH2      ARG  31  -1.202  -6.455  16.369
  272    H    MET  32           H        MET  32   3.140  -2.355   9.381
  273    HA   MET  32           HA       MET  32   4.252  -1.445  11.874
  274    HB2  MET  32           2HB      MET  32   5.309  -2.666   9.372
  275    HB3  MET  32           1HB      MET  32   6.432  -1.753  10.369
  276    HG2  MET  32           2HG      MET  32   4.815  -3.606  11.915
  277    HG3  MET  32           1HG      MET  32   5.766  -4.405  10.666
  278    HE1  MET  32           3HE      MET  32   5.908  -1.775  13.536
  279    HE2  MET  32           1HE      MET  32   7.251  -2.413  14.485
  280    HE3  MET  32           2HE      MET  32   5.787  -3.373  14.274
  281    H    TYR  33           H        TYR  33   3.785  -0.170   8.662
  282    HA   TYR  33           HA       TYR  33   5.590   1.977   8.747
  283    HB2  TYR  33           2HB      TYR  33   4.585   1.337   6.655
  284    HB3  TYR  33           1HB      TYR  33   2.967   1.637   7.280
  285    HD1  TYR  33           2HD      TYR  33   6.074   3.709   7.399
  286    HD2  TYR  33           1HD      TYR  33   2.056   3.368   6.044
  287    HE1  TYR  33           2HE      TYR  33   6.174   6.011   6.540
  288    HE2  TYR  33           1HE      TYR  33   2.144   5.669   5.182
  289    HH   TYR  33           HH       TYR  33   4.593   7.263   4.443
  290    H    HIS  34           H        HIS  34   2.386   1.556  10.081
  291    HA   HIS  34           HA       HIS  34   1.896   4.299  10.650
  292    HB2  HIS  34           2HB      HIS  34   0.672   1.700  11.456
  293    HB3  HIS  34           1HB      HIS  34   0.292   3.129  12.412
  294    HD1  HIS  34           1HD      HIS  34  -1.529   1.388  10.283
  295    HD2  HIS  34           2HD      HIS  34  -0.030   5.242   9.886
  296    HE1  HIS  34           1HE      HIS  34  -3.018   2.518   8.602
  297    HE2  HIS  34           2HE      HIS  34  -2.037   4.820   8.311
  298    H    GLN  35           H        GLN  35   3.178   1.599  12.560
  299    HA   GLN  35           HA       GLN  35   3.511   3.167  14.928
  300    HB2  GLN  35           2HB      GLN  35   4.313   0.415  14.074
  301    HB3  GLN  35           1HB      GLN  35   5.037   1.116  15.515
  302    HG2  GLN  35           2HG      GLN  35   3.281   0.441  16.670
  303    HG3  GLN  35           1HG      GLN  35   2.284   1.565  15.749
  304   HE21  GLN  35          1HE2      GLN  35   0.760   0.768  14.455
  305   HE22  GLN  35          2HE2      GLN  35   0.558  -0.903  14.059
  306    H    THR  36           H        THR  36   5.634   2.089  12.327
  307    HA   THR  36           HA       THR  36   7.984   3.244  13.513
  308    HB   THR  36           HB       THR  36   9.064   2.652  11.361
  309    HG1  THR  36           1HG      THR  36   7.916   2.170   9.673
  310   HG21  THR  36          3HG2      THR  36   7.705   0.155  11.640
  311   HG22  THR  36          1HG2      THR  36   8.010   0.854  13.229
  312   HG23  THR  36          2HG2      THR  36   9.347   0.597  12.108
  313    H    MET  37           H        MET  37   5.669   4.173  11.029
  314    HA   MET  37           HA       MET  37   5.266   6.146   9.973
  315    HB2  MET  37           2HB      MET  37   6.861   7.186  12.316
  316    HB3  MET  37           1HB      MET  37   6.100   8.236  11.128
  317    HG2  MET  37           2HG      MET  37   4.348   6.215  12.344
  318    HG3  MET  37           1HG      MET  37   4.947   7.465  13.432
  319    HE1  MET  37           3HE      MET  37   2.660   6.304  10.917
  320    HE2  MET  37           1HE      MET  37   1.623   7.663  10.479
  321    HE3  MET  37           2HE      MET  37   1.574   7.005  12.115
  322    H    ASP  38           H        ASP  38   7.580   4.535   9.239
  323    HA   ASP  38           HA       ASP  38   9.454   6.585   8.288
  324    HB2  ASP  38           2HB      ASP  38   9.693   3.691   8.915
  325    HB3  ASP  38           1HB      ASP  38  10.669   4.297   7.580
  326    H    VAL  39           H        VAL  39   8.507   7.413   6.482
  327    HA   VAL  39           HA       VAL  39   7.094   5.908   4.557
  328    HB   VAL  39           HB       VAL  39   8.514   8.516   4.029
  329   HG11  VAL  39          1HG1      VAL  39   6.223   7.053   2.766
  330   HG12  VAL  39          2HG1      VAL  39   7.671   7.716   2.009
  331   HG13  VAL  39          3HG1      VAL  39   6.403   8.798   2.583
  332   HG21  VAL  39          3HG2      VAL  39   5.910   9.160   4.630
  333   HG22  VAL  39          1HG2      VAL  39   7.297   9.378   5.696
  334   HG23  VAL  39          2HG2      VAL  39   6.299   7.931   5.833
  335    H    ALA  40           H        ALA  40  10.470   6.902   4.806
  336    HA   ALA  40           HA       ALA  40  11.328   6.179   2.248
  337    HB1  ALA  40           1HB      ALA  40  13.259   6.951   3.028
  338    HB2  ALA  40           2HB      ALA  40  13.374   5.621   4.180
  339    HB3  ALA  40           3HB      ALA  40  12.516   7.098   4.620
  340    H    VAL  41           H        VAL  41  10.968   4.250   5.185
  341    HA   VAL  41           HA       VAL  41  12.145   1.893   4.082
  342    HB   VAL  41           HB       VAL  41  10.259   2.069   6.433
  343   HG11  VAL  41          1HG1      VAL  41  11.939  -0.051   5.260
  344   HG12  VAL  41          2HG1      VAL  41  10.447  -0.168   6.191
  345   HG13  VAL  41          3HG1      VAL  41  11.984   0.090   7.018
  346   HG21  VAL  41          3HG2      VAL  41  13.267   2.177   6.527
  347   HG22  VAL  41          1HG2      VAL  41  12.131   2.412   7.856
  348   HG23  VAL  41          2HG2      VAL  41  12.243   3.614   6.568
  349    H    LEU  42           H        LEU  42   8.876   3.150   4.361
  350    HA   LEU  42           HA       LEU  42   7.476   0.828   3.635
  351    HB2  LEU  42           2HB      LEU  42   6.431   2.839   4.609
  352    HB3  LEU  42           1HB      LEU  42   6.731   3.706   3.114
  353    HG   LEU  42           HG       LEU  42   5.254   2.093   1.928
  354   HD11  LEU  42          1HD1      LEU  42   3.669   0.950   3.766
  355   HD12  LEU  42          2HD1      LEU  42   5.210   0.889   4.623
  356   HD13  LEU  42          3HD1      LEU  42   5.053   0.135   3.036
  357   HD21  LEU  42          3HD2      LEU  42   4.016   3.940   2.307
  358   HD22  LEU  42          1HD2      LEU  42   4.396   3.975   4.028
  359   HD23  LEU  42          2HD2      LEU  42   3.157   2.876   3.421
  360    H    VAL  43           H        VAL  43   8.889   3.413   1.681
  361    HA   VAL  43           HA       VAL  43   7.854   2.555  -0.803
  362    HB   VAL  43           HB       VAL  43  10.437   4.056  -0.367
  363   HG11  VAL  43          1HG1      VAL  43  10.332   3.432  -2.617
  364   HG12  VAL  43          2HG1      VAL  43   9.687   5.072  -2.595
  365   HG13  VAL  43          3HG1      VAL  43   8.591   3.694  -2.704
  366   HG21  VAL  43          3HG2      VAL  43   8.537   5.931  -0.994
  367   HG22  VAL  43          1HG2      VAL  43   9.163   5.610   0.622
  368   HG23  VAL  43          2HG2      VAL  43   7.663   4.851   0.092
  369    H    GLY  44           H        GLY  44  10.842   1.802   0.932
  370    HA2  GLY  44           2HA      GLY  44  12.145   0.385  -1.109
  371    HA3  GLY  44           1HA      GLY  44  12.412   0.159   0.612
  372    H    ASP  45           H        ASP  45  10.262  -0.944   1.615
  373    HA   ASP  45           HA       ASP  45  10.329  -3.604   0.743
  374    HB2  ASP  45           2HB      ASP  45   9.503  -2.451   3.002
  375    HB3  ASP  45           1HB      ASP  45   7.933  -2.634   2.227
  376    H    LEU  46           H        LEU  46   7.907  -1.065   0.217
  377    HA   LEU  46           HA       LEU  46   6.023  -2.596  -1.158
  378    HB2  LEU  46           2HB      LEU  46   6.714   0.314  -1.132
  379    HB3  LEU  46           1HB      LEU  46   5.545  -0.284  -2.295
  380    HG   LEU  46           HG       LEU  46   5.291  -0.653   0.689
  381   HD11  LEU  46          1HD1      LEU  46   5.207   1.731  -0.038
  382   HD12  LEU  46          2HD1      LEU  46   3.714   1.138   0.692
  383   HD13  LEU  46          3HD1      LEU  46   3.830   1.316  -1.059
  384   HD21  LEU  46          3HD2      LEU  46   3.391  -1.788   0.304
  385   HD22  LEU  46          1HD2      LEU  46   4.102  -2.086  -1.282
  386   HD23  LEU  46          2HD2      LEU  46   2.941  -0.775  -1.068
  387    H    LYS  47           H        LYS  47   9.043  -1.213  -2.220
  388    HA   LYS  47           HA       LYS  47   8.523  -1.486  -5.018
  389    HB2  LYS  47           2HB      LYS  47  10.492  -0.275  -3.446
  390    HB3  LYS  47           1HB      LYS  47  11.340  -1.537  -4.329
  391    HG2  LYS  47           2HG      LYS  47  11.506  -0.026  -5.958
  392    HG3  LYS  47           1HG      LYS  47   9.816  -0.408  -6.290
  393    HD2  LYS  47           2HD      LYS  47   9.083   1.568  -5.493
  394    HD3  LYS  47           1HD      LYS  47  10.243   1.575  -4.163
  395    HE2  LYS  47           2HE      LYS  47  11.909   2.542  -5.449
  396    HE3  LYS  47           1HE      LYS  47  11.178   2.020  -6.967
  397    HZ1  LYS  47           3HZ      LYS  47  10.575   4.182  -7.013
  398    HZ2  LYS  47           1HZ      LYS  47  10.592   4.359  -5.330
  399    HZ3  LYS  47           2HZ      LYS  47   9.276   3.617  -6.090
  400    H    LEU  48           H        LEU  48  10.537  -3.319  -2.722
  401    HA   LEU  48           HA       LEU  48  11.434  -5.296  -4.437
  402    HB2  LEU  48           2HB      LEU  48  10.698  -5.687  -1.538
  403    HB3  LEU  48           1HB      LEU  48  11.828  -6.649  -2.471
  404    HG   LEU  48           HG       LEU  48  12.437  -3.762  -2.308
  405   HD11  LEU  48          1HD1      LEU  48  12.042  -5.419   0.074
  406   HD12  LEU  48          2HD1      LEU  48  12.131  -3.666  -0.092
  407   HD13  LEU  48          3HD1      LEU  48  13.612  -4.620  -0.013
  408   HD21  LEU  48          3HD2      LEU  48  14.069  -6.277  -1.985
  409   HD22  LEU  48          1HD2      LEU  48  14.709  -4.636  -2.055
  410   HD23  LEU  48          2HD2      LEU  48  13.901  -5.329  -3.461
  411    H    VAL  49           H        VAL  49   8.335  -5.012  -2.809
  412    HA   VAL  49           HA       VAL  49   7.524  -7.653  -3.730
  413    HB   VAL  49           HB       VAL  49   6.967  -6.589  -1.426
  414   HG11  VAL  49          1HG1      VAL  49   4.824  -5.453  -1.309
  415   HG12  VAL  49          2HG1      VAL  49   4.718  -5.453  -3.069
  416   HG13  VAL  49          3HG1      VAL  49   5.982  -4.526  -2.261
  417   HG21  VAL  49          3HG2      VAL  49   4.509  -7.759  -2.539
  418   HG22  VAL  49          1HG2      VAL  49   5.484  -8.262  -1.159
  419   HG23  VAL  49          2HG2      VAL  49   5.985  -8.690  -2.794
  420    H    ILE  50           H        ILE  50   6.505  -4.279  -4.125
  421    HA   ILE  50           HA       ILE  50   4.692  -5.036  -6.276
  422    HB   ILE  50           HB       ILE  50   5.260  -2.223  -5.366
  423   HG12  ILE  50          2HG1      ILE  50   3.313  -4.230  -4.209
  424   HG13  ILE  50          1HG1      ILE  50   4.645  -3.442  -3.373
  425   HG21  ILE  50          1HG2      ILE  50   3.770  -3.202  -7.457
  426   HG22  ILE  50          2HG2      ILE  50   3.588  -1.613  -6.716
  427   HG23  ILE  50          3HG2      ILE  50   2.563  -2.950  -6.195
  428   HD11  ILE  50          3HD1      ILE  50   3.539  -1.339  -3.431
  429   HD12  ILE  50          1HD1      ILE  50   2.390  -2.539  -2.838
  430   HD13  ILE  50          2HD1      ILE  50   2.286  -1.967  -4.502
  431    H    ASN  51           H        ASN  51   7.731  -5.130  -6.484
  432    HA   ASN  51           HA       ASN  51   8.660  -3.118  -8.182
  433    HB2  ASN  51           2HB      ASN  51   9.562  -5.710  -7.275
  434    HB3  ASN  51           1HB      ASN  51   9.940  -5.492  -8.982
  435   HD21  ASN  51          1HD2      ASN  51  11.549  -5.504  -6.424
  436   HD22  ASN  51          2HD2      ASN  51  12.511  -4.074  -6.524
  437    H    GLU  52           H        GLU  52   6.994  -6.147  -8.895
  438    HA   GLU  52           HA       GLU  52   7.212  -6.236 -11.634
  439    HB2  GLU  52           2HB      GLU  52   4.745  -6.958 -10.048
  440    HB3  GLU  52           1HB      GLU  52   5.195  -7.579 -11.630
  441    HG2  GLU  52           2HG      GLU  52   7.379  -8.132  -9.995
  442    HG3  GLU  52           1HG      GLU  52   5.962  -8.492  -9.009
  443    HA   PRO  53           HA       PRO  53   5.467  -2.296 -12.909
  444    HB2  PRO  53           2HB      PRO  53   5.054  -4.001 -15.334
  445    HB3  PRO  53           1HB      PRO  53   5.680  -2.352 -15.216
  446    HG2  PRO  53           2HG      PRO  53   7.327  -4.425 -15.566
  447    HG3  PRO  53           1HG      PRO  53   7.778  -3.052 -14.539
  448    HD2  PRO  53           2HD      PRO  53   7.002  -5.808 -13.769
  449    HD3  PRO  53           1HD      PRO  53   8.022  -4.639 -12.910
  450    H    SER  54           H        SER  54   3.909  -5.435 -13.255
  451    HA   SER  54           HA       SER  54   1.338  -4.466 -13.954
  452    HB2  SER  54           2HB      SER  54   2.295  -7.073 -12.775
  453    HB3  SER  54           1HB      SER  54   0.595  -6.766 -13.127
  454    HG   SER  54           HG       SER  54   1.562  -7.776 -14.890
  455    H    ARG  55           H        ARG  55   2.998  -4.909 -10.923
  456    HA   ARG  55           HA       ARG  55   0.587  -4.505  -9.355
  457    HB2  ARG  55           2HB      ARG  55   3.474  -4.854  -8.530
  458    HB3  ARG  55           1HB      ARG  55   2.125  -4.718  -7.412
  459    HG2  ARG  55           2HG      ARG  55   1.267  -6.798  -7.999
  460    HG3  ARG  55           1HG      ARG  55   2.172  -6.848  -9.514
  461    HD2  ARG  55           2HD      ARG  55   4.272  -6.923  -8.125
  462    HD3  ARG  55           1HD      ARG  55   3.241  -7.158  -6.715
  463    HE   ARG  55           HE       ARG  55   3.850  -9.087  -8.773
  464   HH11  ARG  55          1HH1      ARG  55   1.677  -8.208  -6.187
  465   HH12  ARG  55          2HH1      ARG  55   1.115  -9.825  -5.942
  466   HH21  ARG  55          1HH2      ARG  55   3.112 -11.215  -8.452
  467   HH22  ARG  55          2HH2      ARG  55   1.928 -11.534  -7.227
  468    H    LEU  56           H        LEU  56   2.812  -2.523 -10.903
  469    HA   LEU  56           HA       LEU  56   3.350  -0.486  -9.116
  470    HB2  LEU  56           2HB      LEU  56   3.046  -0.625 -12.069
  471    HB3  LEU  56           1HB      LEU  56   3.086   0.963 -11.332
  472    HG   LEU  56           HG       LEU  56   5.232  -1.108 -10.900
  473   HD11  LEU  56          1HD1      LEU  56   5.717   1.233 -12.638
  474   HD12  LEU  56          2HD1      LEU  56   4.754  -0.080 -13.316
  475   HD13  LEU  56          3HD1      LEU  56   6.381  -0.398 -12.715
  476   HD21  LEU  56          3HD2      LEU  56   5.026   1.842 -10.326
  477   HD22  LEU  56          1HD2      LEU  56   6.534   0.929 -10.254
  478   HD23  LEU  56          2HD2      LEU  56   5.207   0.527  -9.166
  479    HA   PRO  57           HA       PRO  57  -0.897   1.586 -10.663
  480    HB2  PRO  57           2HB      PRO  57  -2.366  -1.006 -10.795
  481    HB3  PRO  57           1HB      PRO  57  -2.582   0.459 -11.757
  482    HG2  PRO  57           2HG      PRO  57  -1.355  -1.668 -12.783
  483    HG3  PRO  57           1HG      PRO  57  -0.791  -0.026 -13.145
  484    HD2  PRO  57           2HD      PRO  57   0.379  -2.077 -11.325
  485    HD3  PRO  57           1HD      PRO  57   1.189  -0.855 -12.324
  486    H    LEU  58           H        LEU  58  -0.409  -1.204  -8.619
  487    HA   LEU  58           HA       LEU  58  -2.542  -0.931  -6.850
  488    HB2  LEU  58           2HB      LEU  58  -0.558  -2.691  -7.069
  489    HB3  LEU  58           1HB      LEU  58   0.117  -1.717  -5.777
  490    HG   LEU  58           HG       LEU  58  -1.029  -3.567  -4.789
  491   HD11  LEU  58          1HD1      LEU  58  -2.295  -2.445  -3.227
  492   HD12  LEU  58          2HD1      LEU  58  -3.018  -1.371  -4.426
  493   HD13  LEU  58          3HD1      LEU  58  -1.344  -1.131  -3.920
  494   HD21  LEU  58          3HD2      LEU  58  -2.509  -4.390  -6.360
  495   HD22  LEU  58          1HD2      LEU  58  -3.214  -2.805  -6.680
  496   HD23  LEU  58          2HD2      LEU  58  -3.596  -3.655  -5.181
  497    H    PHE  59           H        PHE  59   0.472   0.837  -7.061
  498    HA   PHE  59           HA       PHE  59   0.678   1.986  -4.572
  499    HB2  PHE  59           2HB      PHE  59   1.407   2.865  -7.321
  500    HB3  PHE  59           1HB      PHE  59   1.459   4.073  -6.043
  501    HD1  PHE  59           2HD      PHE  59   2.623   0.608  -6.770
  502    HD2  PHE  59           1HD      PHE  59   3.394   4.313  -4.824
  503    HE1  PHE  59           2HE      PHE  59   4.842  -0.213  -6.097
  504    HE2  PHE  59           1HE      PHE  59   5.615   3.499  -4.147
  505    HZ   PHE  59           HZ       PHE  59   6.342   1.232  -4.783
  506    H    ASP  60           H        ASP  60  -1.516   2.832  -7.184
  507    HA   ASP  60           HA       ASP  60  -2.451   5.282  -6.300
  508    HB2  ASP  60           2HB      ASP  60  -3.126   3.514  -8.320
  509    HB3  ASP  60           1HB      ASP  60  -4.587   3.587  -7.340
  510    H    ALA  61           H        ALA  61  -3.645   2.053  -5.477
  511    HA   ALA  61           HA       ALA  61  -5.629   2.989  -3.655
  512    HB1  ALA  61           1HB      ALA  61  -5.246   0.657  -4.929
  513    HB2  ALA  61           2HB      ALA  61  -6.263   0.829  -3.498
  514    HB3  ALA  61           3HB      ALA  61  -4.610   0.239  -3.338
  515    H    ILE  62           H        ILE  62  -2.239   2.508  -3.390
  516    HA   ILE  62           HA       ILE  62  -2.162   1.968  -0.583
  517    HB   ILE  62           HB       ILE  62   0.033   3.045  -2.356
  518   HG12  ILE  62          2HG1      ILE  62  -0.894   0.874  -3.118
  519   HG13  ILE  62          1HG1      ILE  62   0.774   0.743  -2.572
  520   HG21  ILE  62          1HG2      ILE  62  -0.058   2.822   0.421
  521   HG22  ILE  62          2HG2      ILE  62   1.375   3.050  -0.581
  522   HG23  ILE  62          3HG2      ILE  62   0.871   1.424  -0.118
  523   HD11  ILE  62          3HD1      ILE  62   0.123  -0.308  -0.559
  524   HD12  ILE  62          1HD1      ILE  62  -0.763  -1.104  -1.859
  525   HD13  ILE  62          2HD1      ILE  62  -1.576   0.075  -0.830
  526    H    ARG  63           H        ARG  63  -1.927   4.891  -2.562
  527    HA   ARG  63           HA       ARG  63  -1.075   6.663  -0.582
  528    HB2  ARG  63           2HB      ARG  63  -3.031   7.471  -2.719
  529    HB3  ARG  63           1HB      ARG  63  -1.746   8.422  -1.994
  530    HG2  ARG  63           2HG      ARG  63  -0.568   6.141  -3.201
  531    HG3  ARG  63           1HG      ARG  63  -1.681   6.867  -4.361
  532    HD2  ARG  63           2HD      ARG  63  -0.505   9.091  -3.510
  533    HD3  ARG  63           1HD      ARG  63   0.802   7.960  -3.156
  534    HE   ARG  63           HE       ARG  63  -0.298   7.755  -5.819
  535   HH11  ARG  63          1HH1      ARG  63   2.123   9.247  -3.794
  536   HH12  ARG  63          2HH1      ARG  63   3.184   9.606  -5.114
  537   HH21  ARG  63          1HH2      ARG  63   1.097   8.228  -7.555
  538   HH22  ARG  63          2HH2      ARG  63   2.602   9.029  -7.247
  539    HA   PRO  64           HA       PRO  64  -6.005   7.537   0.051
  540    HB2  PRO  64           2HB      PRO  64  -6.494   4.582  -0.074
  541    HB3  PRO  64           1HB      PRO  64  -7.604   5.916  -0.416
  542    HG2  PRO  64           2HG      PRO  64  -6.421   4.571  -2.393
  543    HG3  PRO  64           1HG      PRO  64  -6.689   6.321  -2.498
  544    HD2  PRO  64           2HD      PRO  64  -4.174   4.823  -2.101
  545    HD3  PRO  64           1HD      PRO  64  -4.434   6.437  -2.780
  546    H    LEU  65           H        LEU  65  -4.629   4.409   1.097
  547    HA   LEU  65           HA       LEU  65  -5.556   4.616   3.762
  548    HB2  LEU  65           2HB      LEU  65  -3.293   2.987   2.602
  549    HB3  LEU  65           1HB      LEU  65  -3.935   2.787   4.222
  550    HG   LEU  65           HG       LEU  65  -5.687   2.485   1.799
  551   HD11  LEU  65          1HD1      LEU  65  -4.625   0.059   3.098
  552   HD12  LEU  65          2HD1      LEU  65  -3.504   0.948   2.064
  553   HD13  LEU  65          3HD1      LEU  65  -5.033   0.362   1.409
  554   HD21  LEU  65          3HD2      LEU  65  -7.243   1.659   3.225
  555   HD22  LEU  65          1HD2      LEU  65  -6.376   2.684   4.369
  556   HD23  LEU  65          2HD2      LEU  65  -6.041   0.954   4.306
  557    H    ILE  66           H        ILE  66  -2.599   5.535   2.139
  558    HA   ILE  66           HA       ILE  66  -1.092   6.170   4.439
  559    HB   ILE  66           HB       ILE  66  -0.840   6.547   1.531
  560   HG12  ILE  66          2HG1      ILE  66   1.467   6.189   3.380
  561   HG13  ILE  66          1HG1      ILE  66   0.282   4.890   3.287
  562   HG21  ILE  66          1HG2      ILE  66   0.519   8.453   3.422
  563   HG22  ILE  66          2HG2      ILE  66  -0.574   8.853   2.096
  564   HG23  ILE  66          3HG2      ILE  66   1.019   8.181   1.753
  565   HD11  ILE  66          3HD1      ILE  66   1.747   6.051   0.930
  566   HD12  ILE  66          1HD1      ILE  66   0.652   4.669   0.918
  567   HD13  ILE  66          2HD1      ILE  66   2.192   4.568   1.775
  568    HA   PRO  67           HA       PRO  67  -3.366   9.785   5.808
  569    HB2  PRO  67           2HB      PRO  67  -1.084  10.872   7.081
  570    HB3  PRO  67           1HB      PRO  67  -2.372   9.926   7.826
  571    HG2  PRO  67           2HG      PRO  67   0.314   9.074   6.921
  572    HG3  PRO  67           1HG      PRO  67  -0.694   8.426   8.222
  573    HD2  PRO  67           2HD      PRO  67  -0.351   7.124   5.893
  574    HD3  PRO  67           1HD      PRO  67  -1.883   7.057   6.789
  575    H    LEU  68           H        LEU  68  -3.347  12.049   5.457
  576    HA   LEU  68           HA       LEU  68  -2.598  12.895   2.954
  577    HB2  LEU  68           2HB      LEU  68  -2.521  15.221   4.558
  578    HB3  LEU  68           1HB      LEU  68  -3.822  14.649   3.535
  579    HG   LEU  68           HG       LEU  68  -4.672  13.322   5.495
  580   HD11  LEU  68          1HD1      LEU  68  -3.889  13.902   7.713
  581   HD12  LEU  68          2HD1      LEU  68  -2.683  14.992   7.029
  582   HD13  LEU  68          3HD1      LEU  68  -2.556  13.256   6.758
  583   HD21  LEU  68          3HD2      LEU  68  -5.275  15.772   4.747
  584   HD22  LEU  68          1HD2      LEU  68  -4.570  16.178   6.312
  585   HD23  LEU  68          2HD2      LEU  68  -5.943  15.075   6.223
  586    H    LYS  69           H        LYS  69  -1.004  14.146   5.898
  587    HA   LYS  69           HA       LYS  69   1.137  15.387   4.764
  588    HB2  LYS  69           2HB      LYS  69   2.397  14.802   6.877
  589    HB3  LYS  69           1HB      LYS  69   0.833  15.571   7.110
  590    HG2  LYS  69           2HG      LYS  69   0.016  13.065   7.246
  591    HG3  LYS  69           1HG      LYS  69   1.697  12.797   7.712
  592    HD2  LYS  69           2HD      LYS  69   1.135  14.908   9.269
  593    HD3  LYS  69           1HD      LYS  69  -0.477  14.200   9.147
  594    HE2  LYS  69           2HE      LYS  69   0.915  11.981   9.659
  595    HE3  LYS  69           1HE      LYS  69   1.974  13.152  10.444
  596    HZ1  LYS  69           3HZ      LYS  69  -0.895  12.661  11.019
  597    HZ2  LYS  69           1HZ      LYS  69  -0.019  13.961  11.661
  598    HZ3  LYS  69           2HZ      LYS  69   0.421  12.372  12.044
  599    H    HIS  70           H        HIS  70   0.925  11.944   5.587
  600    HA   HIS  70           HA       HIS  70   3.545  11.289   4.734
  601    HB2  HIS  70           2HB      HIS  70   1.059   9.674   5.235
  602    HB3  HIS  70           1HB      HIS  70   2.509   8.922   4.580
  603    HD1  HIS  70           1HD      HIS  70   2.500   7.520   6.850
  604    HD2  HIS  70           2HD      HIS  70   3.255  11.587   7.236
  605    HE1  HIS  70           1HE      HIS  70   3.488   7.805   9.145
  606    HE2  HIS  70           2HE      HIS  70   3.848  10.287   9.391
  607    H    GLN  71           H        GLN  71   0.458  11.527   3.100
  608    HA   GLN  71           HA       GLN  71   1.124  10.181   0.727
  609    HB2  GLN  71           2HB      GLN  71  -1.040  11.798   1.701
  610    HB3  GLN  71           1HB      GLN  71  -0.618  12.316   0.074
  611    HG2  GLN  71           2HG      GLN  71  -0.641   9.626  -0.233
  612    HG3  GLN  71           1HG      GLN  71  -1.879   9.838   1.003
  613   HE21  GLN  71          1HE2      GLN  71  -3.798  10.784   0.481
  614   HE22  GLN  71          2HE2      GLN  71  -4.248  11.204  -1.134
  615    H    VAL  72           H        VAL  72   1.351  13.597   1.617
  616    HA   VAL  72           HA       VAL  72   2.353  14.576  -0.803
  617    HB   VAL  72           HB       VAL  72   3.067  15.626   1.938
  618   HG11  VAL  72          1HG1      VAL  72   3.475  17.693   0.893
  619   HG12  VAL  72          2HG1      VAL  72   2.701  17.181  -0.608
  620   HG13  VAL  72          3HG1      VAL  72   4.254  16.493  -0.138
  621   HG21  VAL  72          3HG2      VAL  72   0.718  15.461   1.972
  622   HG22  VAL  72          1HG2      VAL  72   0.576  15.987   0.294
  623   HG23  VAL  72          2HG2      VAL  72   1.063  17.137   1.539
  624    H    GLU  73           H        GLU  73   4.116  13.564   2.128
  625    HA   GLU  73           HA       GLU  73   6.690  13.921   1.037
  626    HB2  GLU  73           2HB      GLU  73   5.806  13.430   3.516
  627    HB3  GLU  73           1HB      GLU  73   6.266  11.792   3.073
  628    HG2  GLU  73           2HG      GLU  73   8.375  13.519   2.306
  629    HG3  GLU  73           1HG      GLU  73   7.910  13.929   3.955
  630    H    TYR  74           H        TYR  74   4.484  11.170   1.063
  631    HA   TYR  74           HA       TYR  74   6.201   9.189   0.133
  632    HB2  TYR  74           2HB      TYR  74   3.744   8.973   0.849
  633    HB3  TYR  74           1HB      TYR  74   3.343   9.453  -0.796
  634    HD1  TYR  74           2HD      TYR  74   3.829   7.969  -2.679
  635    HD2  TYR  74           1HD      TYR  74   4.672   6.794   1.323
  636    HE1  TYR  74           2HE      TYR  74   4.065   5.635  -3.418
  637    HE2  TYR  74           1HE      TYR  74   4.911   4.458   0.594
  638    HH   TYR  74           HH       TYR  74   3.780   3.261  -2.145
  639    H    ASP  75           H        ASP  75   4.457  11.710  -1.577
  640    HA   ASP  75           HA       ASP  75   5.212  10.847  -4.193
  641    HB2  ASP  75           2HB      ASP  75   4.215  13.537  -3.225
  642    HB3  ASP  75           1HB      ASP  75   4.363  13.058  -4.913
  643    H    GLN  76           H        GLN  76   6.554  13.002  -1.769
  644    HA   GLN  76           HA       GLN  76   8.440  14.300  -3.428
  645    HB2  GLN  76           2HB      GLN  76   8.239  13.849  -0.465
  646    HB3  GLN  76           1HB      GLN  76   9.651  14.629  -1.163
  647    HG2  GLN  76           2HG      GLN  76   7.556  15.990  -2.313
  648    HG3  GLN  76           1HG      GLN  76   6.986  15.676  -0.675
  649   HE21  GLN  76          1HE2      GLN  76   8.816  16.054   1.008
  650   HE22  GLN  76          2HE2      GLN  76   9.654  17.555   0.842
  651    H    LEU  77           H        LEU  77   8.420  11.210  -1.820
  652    HA   LEU  77           HA       LEU  77  11.253  10.777  -2.282
  653    HB2  LEU  77           2HB      LEU  77   9.140   8.932  -1.168
  654    HB3  LEU  77           1HB      LEU  77  10.856   8.584  -1.229
  655    HG   LEU  77           HG       LEU  77  10.105  11.078   0.170
  656   HD11  LEU  77          1HD1      LEU  77   9.823   8.644   1.812
  657   HD12  LEU  77          2HD1      LEU  77   8.483   9.014   0.727
  658   HD13  LEU  77          3HD1      LEU  77   8.998  10.197   1.928
  659   HD21  LEU  77          3HD2      LEU  77  12.350  10.652   0.342
  660   HD22  LEU  77          1HD2      LEU  77  12.127   8.902   0.381
  661   HD23  LEU  77          2HD2      LEU  77  11.764   9.868   1.810
  662    H    THR  78           H        THR  78   8.153   9.566  -3.453
  663    HA   THR  78           HA       THR  78   9.277   7.665  -5.251
  664    HB   THR  78           HB       THR  78   7.031   7.409  -6.111
  665    HG1  THR  78           1HG      THR  78   6.426   9.576  -6.257
  666   HG21  THR  78          3HG2      THR  78   5.739   7.529  -3.780
  667   HG22  THR  78          1HG2      THR  78   7.401   7.599  -3.193
  668   HG23  THR  78          2HG2      THR  78   6.874   6.244  -4.192
  669    HA   PRO  79           HA       PRO  79  10.742  10.746  -8.207
  670    HB2  PRO  79           2HB      PRO  79  10.939   8.277  -9.861
  671    HB3  PRO  79           1HB      PRO  79  12.144   9.537  -9.571
  672    HG2  PRO  79           2HG      PRO  79  12.346   7.170  -8.374
  673    HG3  PRO  79           1HG      PRO  79  12.753   8.664  -7.509
  674    HD2  PRO  79           2HD      PRO  79  10.321   6.946  -7.287
  675    HD3  PRO  79           1HD      PRO  79  11.193   7.837  -6.024
  676    H    ARG  80           H        ARG  80   9.503  11.940  -9.500
  677    HA   ARG  80           HA       ARG  80   7.316  10.619 -10.970
  678    HB2  ARG  80           2HB      ARG  80   7.010  12.470  -8.972
  679    HB3  ARG  80           1HB      ARG  80   6.980  13.485 -10.407
  680    HG2  ARG  80           2HG      ARG  80   5.303  11.528 -11.180
  681    HG3  ARG  80           1HG      ARG  80   5.023  11.516  -9.437
  682    HD2  ARG  80           2HD      ARG  80   5.006  14.184  -9.972
  683    HD3  ARG  80           1HD      ARG  80   4.315  13.527 -11.454
  684    HE   ARG  80           HE       ARG  80   3.036  13.722  -8.938
  685   HH11  ARG  80          1HH1      ARG  80   3.319  11.622 -11.711
  686   HH12  ARG  80          2HH1      ARG  80   1.751  10.918 -11.496
  687   HH21  ARG  80          1HH2      ARG  80   0.974  12.798  -8.654
  688   HH22  ARG  80          2HH2      ARG  80   0.419  11.586  -9.761
  Start of MODEL   15
    1    H1   MET   1           1HT      MET   1 -16.841   9.720   7.841
    2    H2   MET   1           2HT      MET   1 -15.157   9.930   7.589
    3    H3   MET   1           3HT      MET   1 -15.972  10.859   8.781
    4    HA   MET   1           HA       MET   1 -14.588   8.899   9.511
    5    HB2  MET   1           2HB      MET   1 -17.144   9.994  10.358
    6    HB3  MET   1           1HB      MET   1 -16.937   8.339  10.915
    7    HG2  MET   1           2HG      MET   1 -14.573   9.229  11.638
    8    HG3  MET   1           1HG      MET   1 -15.400  10.785  11.608
    9    HE1  MET   1           2HE      MET   1 -13.987   8.615  13.544
   10    HE2  MET   1           3HE      MET   1 -15.144   7.387  14.057
   11    HE3  MET   1           1HE      MET   1 -14.779   8.751  15.114
   12    H    ASP   2           H        ASP   2 -15.651   8.066   6.903
   13    HA   ASP   2           HA       ASP   2 -16.233   5.288   7.610
   14    HB2  ASP   2           2HB      ASP   2 -17.949   7.085   5.945
   15    HB3  ASP   2           1HB      ASP   2 -17.841   5.380   5.519
   16    H    ARG   3           H        ARG   3 -14.639   4.148   6.743
   17    HA   ARG   3           HA       ARG   3 -12.916   5.048   4.727
   18    HB2  ARG   3           2HB      ARG   3 -13.494   2.224   5.641
   19    HB3  ARG   3           1HB      ARG   3 -12.139   2.689   4.622
   20    HG2  ARG   3           2HG      ARG   3 -10.937   3.091   6.431
   21    HG3  ARG   3           1HG      ARG   3 -12.072   4.359   6.895
   22    HD2  ARG   3           2HD      ARG   3 -13.479   2.620   7.979
   23    HD3  ARG   3           1HD      ARG   3 -12.226   1.434   7.616
   24    HE   ARG   3           HE       ARG   3 -10.974   2.270   9.344
   25   HH11  ARG   3          1HH1      ARG   3 -13.546   4.513   8.613
   26   HH12  ARG   3          2HH1      ARG   3 -13.247   5.501  10.004
   27   HH21  ARG   3          1HH2      ARG   3 -10.580   3.568  11.172
   28   HH22  ARG   3          2HH2      ARG   3 -11.563   4.966  11.457
   29    H    LYS   4           H        LYS   4 -12.732   4.559   2.548
   30    HA   LYS   4           HA       LYS   4 -14.985   3.170   1.285
   31    HB2  LYS   4           2HB      LYS   4 -14.951   4.960  -0.509
   32    HB3  LYS   4           1HB      LYS   4 -15.628   5.437   1.042
   33    HG2  LYS   4           2HG      LYS   4 -13.030   6.140   1.371
   34    HG3  LYS   4           1HG      LYS   4 -13.244   6.410  -0.360
   35    HD2  LYS   4           2HD      LYS   4 -14.768   8.086  -0.050
   36    HD3  LYS   4           1HD      LYS   4 -15.351   7.419   1.477
   37    HE2  LYS   4           2HE      LYS   4 -12.950   8.036   2.315
   38    HE3  LYS   4           1HE      LYS   4 -12.971   9.137   0.939
   39    HZ1  LYS   4           3HZ      LYS   4 -14.980   9.072   3.127
   40    HZ2  LYS   4           1HZ      LYS   4 -14.983  10.141   1.815
   41    HZ3  LYS   4           2HZ      LYS   4 -13.743  10.213   2.962
   42    H    VAL   5           H        VAL   5 -11.817   4.692   0.721
   43    HA   VAL   5           HA       VAL   5 -11.216   3.334  -1.659
   44    HB   VAL   5           HB       VAL   5  -9.148   4.195   0.358
   45   HG11  VAL   5          1HG1      VAL   5  -9.153   3.399  -2.465
   46   HG12  VAL   5          2HG1      VAL   5  -7.859   3.341  -1.269
   47   HG13  VAL   5          3HG1      VAL   5  -8.219   4.850  -2.106
   48   HG21  VAL   5          3HG2      VAL   5 -11.014   5.820  -1.251
   49   HG22  VAL   5          1HG2      VAL   5  -9.325   6.323  -1.276
   50   HG23  VAL   5          2HG2      VAL   5 -10.186   6.202   0.258
   51    H    ALA   6           H        ALA   6 -11.081   2.330   1.659
   52    HA   ALA   6           HA       ALA   6  -9.232   0.236   1.480
   53    HB1  ALA   6           1HB      ALA   6  -9.960  -0.423   3.571
   54    HB2  ALA   6           2HB      ALA   6 -11.633   0.029   3.246
   55    HB3  ALA   6           3HB      ALA   6 -10.424   1.277   3.542
   56    H    ARG   7           H        ARG   7 -12.703   0.323   0.850
   57    HA   ARG   7           HA       ARG   7 -13.058  -2.440   0.441
   58    HB2  ARG   7           2HB      ARG   7 -14.591   0.021  -0.133
   59    HB3  ARG   7           1HB      ARG   7 -14.985  -1.373  -1.131
   60    HG2  ARG   7           2HG      ARG   7 -15.746  -2.611   0.669
   61    HG3  ARG   7           1HG      ARG   7 -14.856  -1.640   1.842
   62    HD2  ARG   7           2HD      ARG   7 -17.309  -1.245   1.869
   63    HD3  ARG   7           1HD      ARG   7 -16.356   0.205   1.549
   64    HE   ARG   7           HE       ARG   7 -17.117  -1.021  -0.882
   65   HH11  ARG   7          1HH1      ARG   7 -18.428   0.850   1.756
   66   HH12  ARG   7          2HH1      ARG   7 -19.681   1.560   0.795
   67   HH21  ARG   7          1HH2      ARG   7 -18.765  -0.089  -2.147
   68   HH22  ARG   7          2HH2      ARG   7 -19.874   1.026  -1.420
   69    H    GLU   8           H        GLU   8 -12.678   0.185  -1.914
   70    HA   GLU   8           HA       GLU   8 -12.505  -1.509  -4.171
   71    HB2  GLU   8           2HB      GLU   8 -12.012   1.361  -3.605
   72    HB3  GLU   8           1HB      GLU   8 -11.219   0.696  -5.027
   73    HG2  GLU   8           2HG      GLU   8 -13.157   0.428  -6.159
   74    HG3  GLU   8           1HG      GLU   8 -14.088   0.083  -4.701
   75    H    PHE   9           H        PHE   9 -10.173  -0.332  -1.869
   76    HA   PHE   9           HA       PHE   9  -7.812  -0.838  -3.305
   77    HB2  PHE   9           2HB      PHE   9  -7.800   0.494  -1.271
   78    HB3  PHE   9           1HB      PHE   9  -8.340  -0.887  -0.325
   79    HD1  PHE   9           2HD      PHE   9  -6.783  -2.932  -0.252
   80    HD2  PHE   9           1HD      PHE   9  -5.542   0.940  -1.508
   81    HE1  PHE   9           2HE      PHE   9  -4.440  -3.544   0.186
   82    HE2  PHE   9           1HE      PHE   9  -3.197   0.335  -1.073
   83    HZ   PHE   9           HZ       PHE   9  -2.645  -1.909  -0.223
   84    H    ARG  10           H        ARG  10  -9.482  -2.847  -0.880
   85    HA   ARG  10           HA       ARG  10  -7.804  -5.082  -1.120
   86    HB2  ARG  10           2HB      ARG  10  -9.583  -4.531   0.671
   87    HB3  ARG  10           1HB      ARG  10 -10.723  -5.287  -0.432
   88    HG2  ARG  10           2HG      ARG  10  -8.502  -7.025  -0.167
   89    HG3  ARG  10           1HG      ARG  10  -8.989  -6.513   1.449
   90    HD2  ARG  10           2HD      ARG  10 -10.766  -7.740  -0.657
   91    HD3  ARG  10           1HD      ARG  10 -10.173  -8.533   0.803
   92    HE   ARG  10           HE       ARG  10 -11.497  -6.323   1.711
   93   HH11  ARG  10          1HH1      ARG  10 -12.344  -9.042  -0.308
   94   HH12  ARG  10          2HH1      ARG  10 -14.010  -9.034   0.167
   95   HH21  ARG  10          1HH2      ARG  10 -13.687  -6.313   2.337
   96   HH22  ARG  10          2HH2      ARG  10 -14.772  -7.486   1.668
   97    H    HIS  11           H        HIS  11 -10.723  -4.151  -2.864
   98    HA   HIS  11           HA       HIS  11 -11.127  -6.580  -4.225
   99    HB2  HIS  11           2HB      HIS  11 -12.042  -3.774  -4.560
  100    HB3  HIS  11           1HB      HIS  11 -12.187  -4.833  -5.958
  101    HD1  HIS  11           1HD      HIS  11 -14.168  -6.352  -6.008
  102    HD2  HIS  11           2HD      HIS  11 -13.485  -4.775  -2.224
  103    HE1  HIS  11           1HE      HIS  11 -16.138  -7.063  -4.617
  104    HE2  HIS  11           2HE      HIS  11 -15.746  -6.022  -2.358
  105    H    LYS  12           H        LYS  12  -9.409  -3.622  -5.214
  106    HA   LYS  12           HA       LYS  12  -8.626  -4.654  -7.738
  107    HB2  LYS  12           2HB      LYS  12  -7.227  -2.701  -7.930
  108    HB3  LYS  12           1HB      LYS  12  -8.769  -2.237  -7.229
  109    HG2  LYS  12           2HG      LYS  12  -7.854  -1.760  -5.185
  110    HG3  LYS  12           1HG      LYS  12  -6.499  -2.867  -5.411
  111    HD2  LYS  12           2HD      LYS  12  -5.523  -0.759  -5.597
  112    HD3  LYS  12           1HD      LYS  12  -5.759  -1.259  -7.272
  113    HE2  LYS  12           2HE      LYS  12  -8.122   0.055  -6.426
  114    HE3  LYS  12           1HE      LYS  12  -6.756   1.053  -5.937
  115    HZ1  LYS  12           3HZ      LYS  12  -7.725   0.414  -8.597
  116    HZ2  LYS  12           1HZ      LYS  12  -6.042   0.422  -8.419
  117    HZ3  LYS  12           2HZ      LYS  12  -6.941   1.802  -8.035
  118    H    VAL  13           H        VAL  13  -7.129  -4.687  -4.554
  119    HA   VAL  13           HA       VAL  13  -4.538  -5.435  -5.336
  120    HB   VAL  13           HB       VAL  13  -6.017  -6.104  -2.785
  121   HG11  VAL  13          1HG1      VAL  13  -3.810  -6.498  -1.805
  122   HG12  VAL  13          2HG1      VAL  13  -3.062  -6.242  -3.381
  123   HG13  VAL  13          3HG1      VAL  13  -4.132  -7.620  -3.126
  124   HG21  VAL  13          3HG2      VAL  13  -5.277  -3.644  -3.706
  125   HG22  VAL  13          1HG2      VAL  13  -3.874  -4.109  -2.742
  126   HG23  VAL  13          2HG2      VAL  13  -5.478  -4.071  -2.007
  127    H    ASP  14           H        ASP  14  -7.299  -7.453  -4.336
  128    HA   ASP  14           HA       ASP  14  -5.993  -9.922  -4.758
  129    HB2  ASP  14           2HB      ASP  14  -8.806  -9.041  -4.336
  130    HB3  ASP  14           1HB      ASP  14  -8.551 -10.648  -5.009
  131    H    PHE  15           H        PHE  15  -7.923  -7.846  -6.841
  132    HA   PHE  15           HA       PHE  15  -8.192  -9.697  -8.974
  133    HB2  PHE  15           2HB      PHE  15  -9.675  -7.760  -8.729
  134    HB3  PHE  15           1HB      PHE  15  -8.319  -6.675  -9.015
  135    HD1  PHE  15           1HD      PHE  15  -9.409  -9.795 -10.741
  136    HD2  PHE  15           2HD      PHE  15  -8.661  -5.615 -11.027
  137    HE1  PHE  15           1HE      PHE  15  -9.852  -9.885 -13.159
  138    HE2  PHE  15           2HE      PHE  15  -9.103  -5.697 -13.446
  139    HZ   PHE  15           HZ       PHE  15  -9.700  -7.834 -14.516
  140    H    LEU  16           H        LEU  16  -5.893  -7.063  -8.347
  141    HA   LEU  16           HA       LEU  16  -4.439  -7.642 -10.778
  142    HB2  LEU  16           2HB      LEU  16  -3.106  -5.755 -10.285
  143    HB3  LEU  16           1HB      LEU  16  -4.756  -5.331  -9.870
  144    HG   LEU  16           HG       LEU  16  -3.835  -6.227  -7.468
  145   HD11  LEU  16          1HD1      LEU  16  -1.630  -5.174  -7.132
  146   HD12  LEU  16          2HD1      LEU  16  -1.529  -4.881  -8.868
  147   HD13  LEU  16          3HD1      LEU  16  -1.571  -6.533  -8.253
  148   HD21  LEU  16          3HD2      LEU  16  -4.233  -4.104  -6.791
  149   HD22  LEU  16          1HD2      LEU  16  -4.903  -3.961  -8.417
  150   HD23  LEU  16          2HD2      LEU  16  -3.267  -3.392  -8.085
  151    H    ILE  17           H        ILE  17  -4.285  -8.579  -7.459
  152    HA   ILE  17           HA       ILE  17  -1.610  -9.722  -7.909
  153    HB   ILE  17           HB       ILE  17  -2.928  -9.247  -5.238
  154   HG12  ILE  17          2HG1      ILE  17  -0.871  -7.602  -6.727
  155   HG13  ILE  17          1HG1      ILE  17  -2.506  -7.108  -6.300
  156   HG21  ILE  17          1HG2      ILE  17  -0.587 -10.694  -6.078
  157   HG22  ILE  17          2HG2      ILE  17  -1.324 -10.585  -4.481
  158   HG23  ILE  17          3HG2      ILE  17  -0.147  -9.377  -4.992
  159   HD11  ILE  17          3HD1      ILE  17  -1.668  -7.586  -3.862
  160   HD12  ILE  17          1HD1      ILE  17  -1.308  -6.061  -4.671
  161   HD13  ILE  17          2HD1      ILE  17  -0.086  -7.330  -4.598
  162    H    GLU  18           H        GLU  18  -4.049 -10.625  -5.510
  163    HA   GLU  18           HA       GLU  18  -5.187 -12.562  -5.136
  164    HB2  GLU  18           2HB      GLU  18  -5.238 -12.380  -7.850
  165    HB3  GLU  18           1HB      GLU  18  -4.418 -13.919  -7.634
  166    HG2  GLU  18           2HG      GLU  18  -6.360 -14.454  -6.016
  167    HG3  GLU  18           1HG      GLU  18  -7.182 -13.126  -6.833
  168    H    ASN  19           H        ASN  19  -1.945 -12.284  -5.401
  169    HA   ASN  19           HA       ASN  19  -1.107 -15.001  -5.314
  170    HB2  ASN  19           2HB      ASN  19   0.272 -12.440  -4.495
  171    HB3  ASN  19           1HB      ASN  19   1.052 -14.019  -4.480
  172   HD21  ASN  19          1HD2      ASN  19   2.328 -14.257  -6.153
  173   HD22  ASN  19          2HD2      ASN  19   2.021 -13.711  -7.762
  174    H    ASP  20           H        ASP  20  -2.466 -12.870  -2.992
  175    HA   ASP  20           HA       ASP  20  -3.126 -13.237  -0.840
  176    HB2  ASP  20           2HB      ASP  20  -3.016 -15.768  -1.791
  177    HB3  ASP  20           1HB      ASP  20  -1.789 -15.857  -0.531
  178    H    ALA  21           H        ALA  21   0.017 -14.860  -1.203
  179    HA   ALA  21           HA       ALA  21   1.081 -14.117   1.251
  180    HB1  ALA  21           1HB      ALA  21   2.415 -15.690   0.331
  181    HB2  ALA  21           2HB      ALA  21   3.316 -14.282  -0.229
  182    HB3  ALA  21           3HB      ALA  21   2.178 -15.087  -1.309
  183    H    GLU  22           H        GLU  22   1.048 -12.393  -1.814
  184    HA   GLU  22           HA       GLU  22   2.837 -10.335  -1.086
  185    HB2  GLU  22           2HB      GLU  22   0.559 -10.197  -3.069
  186    HB3  GLU  22           1HB      GLU  22   1.949  -9.122  -3.002
  187    HG2  GLU  22           2HG      GLU  22   2.383 -12.049  -3.339
  188    HG3  GLU  22           1HG      GLU  22   1.863 -11.080  -4.718
  189    H    LYS  23           H        LYS  23  -0.654 -10.689  -0.784
  190    HA   LYS  23           HA       LYS  23  -1.211  -8.062   0.074
  191    HB2  LYS  23           2HB      LYS  23  -2.653 -10.679   0.497
  192    HB3  LYS  23           1HB      LYS  23  -3.282  -9.146   1.086
  193    HG2  LYS  23           2HG      LYS  23  -3.165  -8.310  -1.279
  194    HG3  LYS  23           1HG      LYS  23  -2.808  -9.968  -1.766
  195    HD2  LYS  23           2HD      LYS  23  -5.211  -9.337  -0.087
  196    HD3  LYS  23           1HD      LYS  23  -5.256  -9.146  -1.841
  197    HE2  LYS  23           2HE      LYS  23  -5.785 -11.308  -1.943
  198    HE3  LYS  23           1HE      LYS  23  -4.116 -11.639  -1.479
  199    HZ1  LYS  23           3HZ      LYS  23  -5.776 -12.771  -0.072
  200    HZ2  LYS  23           1HZ      LYS  23  -6.342 -11.264   0.449
  201    HZ3  LYS  23           2HZ      LYS  23  -4.761 -11.744   0.808
  202    H    ASP  24           H        ASP  24  -0.439 -11.024   1.859
  203    HA   ASP  24           HA       ASP  24  -0.763  -9.956   4.443
  204    HB2  ASP  24           2HB      ASP  24   0.961 -12.222   3.424
  205    HB3  ASP  24           1HB      ASP  24   0.771 -11.840   5.133
  206    H    TYR  25           H        TYR  25   1.915  -9.972   2.182
  207    HA   TYR  25           HA       TYR  25   3.902  -8.992   3.937
  208    HB2  TYR  25           2HB      TYR  25   3.914  -9.930   1.389
  209    HB3  TYR  25           1HB      TYR  25   4.072  -8.203   1.091
  210    HD1  TYR  25           1HD      TYR  25   5.592 -11.021   2.979
  211    HD2  TYR  25           2HD      TYR  25   6.150  -7.147   1.312
  212    HE1  TYR  25           1HE      TYR  25   7.999 -11.168   3.459
  213    HE2  TYR  25           2HE      TYR  25   8.559  -7.282   1.788
  214    HH   TYR  25           HH       TYR  25  10.076  -8.478   3.283
  215    H    LEU  26           H        LEU  26   2.002  -7.308   1.431
  216    HA   LEU  26           HA       LEU  26   2.840  -4.722   2.089
  217    HB2  LEU  26           2HB      LEU  26   0.734  -3.993   0.928
  218    HB3  LEU  26           1HB      LEU  26   1.792  -5.035  -0.003
  219    HG   LEU  26           HG       LEU  26   0.181  -6.915   0.957
  220   HD11  LEU  26          1HD1      LEU  26  -1.109  -5.280   2.302
  221   HD12  LEU  26          2HD1      LEU  26  -2.094  -6.170   1.143
  222   HD13  LEU  26          3HD1      LEU  26  -1.621  -4.507   0.803
  223   HD21  LEU  26          3HD2      LEU  26  -1.309  -6.299  -1.123
  224   HD22  LEU  26          1HD2      LEU  26   0.351  -6.861  -1.321
  225   HD23  LEU  26          2HD2      LEU  26  -0.014  -5.138  -1.418
  226    H    TYR  27           H        TYR  27   0.430  -6.789   3.514
  227    HA   TYR  27           HA       TYR  27  -0.981  -4.776   4.937
  228    HB2  TYR  27           2HB      TYR  27  -1.016  -7.670   4.736
  229    HB3  TYR  27           1HB      TYR  27  -1.213  -7.147   6.405
  230    HD1  TYR  27           1HD      TYR  27  -2.602  -6.742   2.986
  231    HD2  TYR  27           2HD      TYR  27  -3.269  -6.295   7.164
  232    HE1  TYR  27           1HE      TYR  27  -4.974  -6.264   2.551
  233    HE2  TYR  27           2HE      TYR  27  -5.643  -5.817   6.740
  234    HH   TYR  27           HH       TYR  27  -7.216  -6.540   4.065
  235    H    ASP  28           H        ASP  28   1.812  -6.782   5.643
  236    HA   ASP  28           HA       ASP  28   2.032  -6.079   8.384
  237    HB2  ASP  28           2HB      ASP  28   3.305  -7.861   6.664
  238    HB3  ASP  28           1HB      ASP  28   4.572  -6.729   7.123
  239    H    VAL  29           H        VAL  29   3.514  -4.823   5.423
  240    HA   VAL  29           HA       VAL  29   5.256  -2.980   6.617
  241    HB   VAL  29           HB       VAL  29   3.879  -2.666   3.946
  242   HG11  VAL  29          1HG1      VAL  29   5.387  -0.829   5.209
  243   HG12  VAL  29          2HG1      VAL  29   5.340  -1.013   3.455
  244   HG13  VAL  29          3HG1      VAL  29   6.648  -1.746   4.383
  245   HG21  VAL  29          3HG2      VAL  29   4.887  -4.824   3.961
  246   HG22  VAL  29          1HG2      VAL  29   6.355  -4.201   4.714
  247   HG23  VAL  29          2HG2      VAL  29   5.957  -3.753   3.055
  248    H    LEU  30           H        LEU  30   1.890  -2.640   5.553
  249    HA   LEU  30           HA       LEU  30   1.658   0.119   6.096
  250    HB2  LEU  30           2HB      LEU  30  -0.295  -2.126   5.772
  251    HB3  LEU  30           1HB      LEU  30  -0.857  -0.561   6.327
  252    HG   LEU  30           HG       LEU  30   0.752  -0.793   3.806
  253   HD11  LEU  30          1HD1      LEU  30  -0.879  -2.178   3.070
  254   HD12  LEU  30          2HD1      LEU  30  -1.729  -0.651   2.833
  255   HD13  LEU  30          3HD1      LEU  30  -2.048  -1.624   4.269
  256   HD21  LEU  30          3HD2      LEU  30   0.543   1.430   4.221
  257   HD22  LEU  30          1HD2      LEU  30  -0.945   1.234   5.148
  258   HD23  LEU  30          2HD2      LEU  30  -0.989   1.174   3.386
  259    H    ARG  31           H        ARG  31   0.687  -2.721   8.012
  260    HA   ARG  31           HA       ARG  31  -0.262  -1.341  10.246
  261    HB2  ARG  31           2HB      ARG  31  -0.114  -3.958   9.533
  262    HB3  ARG  31           1HB      ARG  31   1.120  -3.893  10.784
  263    HG2  ARG  31           2HG      ARG  31  -0.430  -3.955  12.360
  264    HG3  ARG  31           1HG      ARG  31  -1.198  -2.508  11.704
  265    HD2  ARG  31           2HD      ARG  31  -1.666  -5.141  10.380
  266    HD3  ARG  31           1HD      ARG  31  -2.519  -4.766  11.877
  267    HE   ARG  31           HE       ARG  31  -3.097  -3.741   9.302
  268   HH11  ARG  31          1HH1      ARG  31  -3.011  -2.816  12.666
  269   HH12  ARG  31          2HH1      ARG  31  -4.230  -1.599  12.491
  270   HH21  ARG  31          1HH2      ARG  31  -4.701  -2.140   9.070
  271   HH22  ARG  31          2HH2      ARG  31  -5.190  -1.216  10.449
  272    H    MET  32           H        MET  32   2.991  -2.353   9.378
  273    HA   MET  32           HA       MET  32   4.123  -1.525  11.895
  274    HB2  MET  32           2HB      MET  32   5.078  -2.827   9.435
  275    HB3  MET  32           1HB      MET  32   6.255  -1.768  10.199
  276    HG2  MET  32           2HG      MET  32   5.685  -3.034  12.358
  277    HG3  MET  32           1HG      MET  32   4.954  -4.231  11.291
  278    HE1  MET  32           3HE      MET  32   9.199  -2.906  11.788
  279    HE2  MET  32           1HE      MET  32   7.792  -1.889  11.482
  280    HE3  MET  32           2HE      MET  32   8.735  -2.519  10.131
  281    H    TYR  33           H        TYR  33   3.633  -0.157   8.725
  282    HA   TYR  33           HA       TYR  33   5.452   1.979   8.874
  283    HB2  TYR  33           2HB      TYR  33   4.428   1.375   6.764
  284    HB3  TYR  33           1HB      TYR  33   2.824   1.734   7.395
  285    HD1  TYR  33           2HD      TYR  33   6.075   3.593   7.358
  286    HD2  TYR  33           1HD      TYR  33   1.933   3.598   6.383
  287    HE1  TYR  33           2HE      TYR  33   6.276   5.903   6.540
  288    HE2  TYR  33           1HE      TYR  33   2.123   5.909   5.564
  289    HH   TYR  33           HH       TYR  33   4.501   7.332   4.601
  290    H    HIS  34           H        HIS  34   2.179   1.577  10.073
  291    HA   HIS  34           HA       HIS  34   1.813   4.313  10.809
  292    HB2  HIS  34           2HB      HIS  34   0.368   1.777  11.581
  293    HB3  HIS  34           1HB      HIS  34  -0.109   3.367  12.167
  294    HD1  HIS  34           1HD      HIS  34  -1.955   1.594  10.387
  295    HD2  HIS  34           2HD      HIS  34   0.497   4.642   8.985
  296    HE1  HIS  34           1HE      HIS  34  -2.967   2.318   8.201
  297    HE2  HIS  34           2HE      HIS  34  -1.518   4.226   7.417
  298    H    GLN  35           H        GLN  35   2.881   1.401  12.494
  299    HA   GLN  35           HA       GLN  35   3.030   2.660  15.055
  300    HB2  GLN  35           2HB      GLN  35   3.721   0.014  13.918
  301    HB3  GLN  35           1HB      GLN  35   4.617   0.502  15.349
  302    HG2  GLN  35           2HG      GLN  35   2.367   0.974  16.417
  303    HG3  GLN  35           1HG      GLN  35   1.659   0.114  15.052
  304   HE21  GLN  35          1HE2      GLN  35   3.183  -0.152  18.072
  305   HE22  GLN  35          2HE2      GLN  35   3.296  -1.875  18.134
  306    H    THR  36           H        THR  36   5.405   1.753  12.595
  307    HA   THR  36           HA       THR  36   7.601   2.883  14.067
  308    HB   THR  36           HB       THR  36   8.948   2.312  12.118
  309    HG1  THR  36           1HG      THR  36   8.069   1.734  10.227
  310   HG21  THR  36          3HG2      THR  36   7.916   0.484  13.707
  311   HG22  THR  36          1HG2      THR  36   8.870   0.051  12.290
  312   HG23  THR  36          2HG2      THR  36   7.111  -0.009  12.218
  313    H    MET  37           H        MET  37   5.614   3.846  11.311
  314    HA   MET  37           HA       MET  37   5.264   5.864  10.323
  315    HB2  MET  37           2HB      MET  37   6.804   7.108  12.600
  316    HB3  MET  37           1HB      MET  37   5.589   7.868  11.581
  317    HG2  MET  37           2HG      MET  37   4.225   5.755  12.670
  318    HG3  MET  37           1HG      MET  37   5.280   6.262  13.987
  319    HE1  MET  37           3HE      MET  37   1.748   7.016  12.411
  320    HE2  MET  37           1HE      MET  37   2.979   7.436  11.220
  321    HE3  MET  37           2HE      MET  37   1.990   8.701  11.947
  322    H    ASP  38           H        ASP  38   7.333   4.402   9.333
  323    HA   ASP  38           HA       ASP  38   9.388   6.434   8.749
  324    HB2  ASP  38           2HB      ASP  38   9.585   3.491   9.201
  325    HB3  ASP  38           1HB      ASP  38  10.687   4.227   8.041
  326    H    VAL  39           H        VAL  39   8.713   7.336   6.886
  327    HA   VAL  39           HA       VAL  39   7.301   6.011   4.842
  328    HB   VAL  39           HB       VAL  39   9.025   8.465   4.491
  329   HG11  VAL  39          1HG1      VAL  39   7.322   9.020   2.770
  330   HG12  VAL  39          2HG1      VAL  39   6.603   7.430   3.024
  331   HG13  VAL  39          3HG1      VAL  39   8.247   7.563   2.402
  332   HG21  VAL  39          3HG2      VAL  39   6.630   9.533   4.869
  333   HG22  VAL  39          1HG2      VAL  39   7.726   9.209   6.214
  334   HG23  VAL  39          2HG2      VAL  39   6.413   8.086   5.856
  335    H    ALA  40           H        ALA  40  10.743   6.646   5.313
  336    HA   ALA  40           HA       ALA  40  11.675   5.843   2.806
  337    HB1  ALA  40           1HB      ALA  40  12.883   6.033   5.520
  338    HB2  ALA  40           2HB      ALA  40  13.302   6.888   4.035
  339    HB3  ALA  40           3HB      ALA  40  13.779   5.204   4.248
  340    H    VAL  41           H        VAL  41  11.080   3.955   5.743
  341    HA   VAL  41           HA       VAL  41  12.022   1.496   4.657
  342    HB   VAL  41           HB       VAL  41  10.112   1.869   6.966
  343   HG11  VAL  41          1HG1      VAL  41  10.064  -0.377   6.714
  344   HG12  VAL  41          2HG1      VAL  41  11.588  -0.281   7.596
  345   HG13  VAL  41          3HG1      VAL  41  11.594  -0.422   5.838
  346   HG21  VAL  41          3HG2      VAL  41  13.053   1.506   7.320
  347   HG22  VAL  41          1HG2      VAL  41  11.870   2.242   8.402
  348   HG23  VAL  41          2HG2      VAL  41  12.414   3.113   6.969
  349    H    LEU  42           H        LEU  42   8.883   3.060   4.859
  350    HA   LEU  42           HA       LEU  42   7.288   0.878   4.098
  351    HB2  LEU  42           2HB      LEU  42   6.337   2.890   5.063
  352    HB3  LEU  42           1HB      LEU  42   6.869   3.838   3.688
  353    HG   LEU  42           HG       LEU  42   5.353   2.139   2.346
  354   HD11  LEU  42          1HD1      LEU  42   4.935   1.070   4.761
  355   HD12  LEU  42          2HD1      LEU  42   3.728   1.045   3.476
  356   HD13  LEU  42          3HD1      LEU  42   3.637   2.263   4.748
  357   HD21  LEU  42          3HD2      LEU  42   3.996   4.276   3.959
  358   HD22  LEU  42          1HD2      LEU  42   3.678   3.775   2.299
  359   HD23  LEU  42          2HD2      LEU  42   5.152   4.662   2.684
  360    H    VAL  43           H        VAL  43   8.673   3.504   2.133
  361    HA   VAL  43           HA       VAL  43   7.702   2.690  -0.345
  362    HB   VAL  43           HB       VAL  43  10.382   3.998   0.139
  363   HG11  VAL  43          1HG1      VAL  43   9.883   3.117  -2.159
  364   HG12  VAL  43          2HG1      VAL  43  10.198   4.851  -2.074
  365   HG13  VAL  43          3HG1      VAL  43   8.543   4.262  -2.230
  366   HG21  VAL  43          3HG2      VAL  43   9.387   5.927   0.678
  367   HG22  VAL  43          1HG2      VAL  43   7.950   4.955   0.998
  368   HG23  VAL  43          2HG2      VAL  43   8.154   5.739  -0.569
  369    H    GLY  44           H        GLY  44  10.707   1.782   1.312
  370    HA2  GLY  44           2HA      GLY  44  11.874   0.274  -0.718
  371    HA3  GLY  44           1HA      GLY  44  12.133   0.013   0.998
  372    H    ASP  45           H        ASP  45   9.893  -0.959   1.983
  373    HA   ASP  45           HA       ASP  45   9.823  -3.614   1.131
  374    HB2  ASP  45           2HB      ASP  45   7.697  -2.128   2.690
  375    HB3  ASP  45           1HB      ASP  45   7.898  -3.877   2.618
  376    H    LEU  46           H        LEU  46   7.326  -1.102   0.689
  377    HA   LEU  46           HA       LEU  46   5.550  -2.563  -0.844
  378    HB2  LEU  46           2HB      LEU  46   6.133   0.297  -0.443
  379    HB3  LEU  46           1HB      LEU  46   5.283  -0.086  -1.928
  380    HG   LEU  46           HG       LEU  46   3.906  -1.521   0.014
  381   HD11  LEU  46          1HD1      LEU  46   5.303   0.041   1.578
  382   HD12  LEU  46          2HD1      LEU  46   3.591  -0.239   1.889
  383   HD13  LEU  46          3HD1      LEU  46   4.110   1.248   1.096
  384   HD21  LEU  46          3HD2      LEU  46   2.137  -0.408  -0.825
  385   HD22  LEU  46          1HD2      LEU  46   3.314   0.161  -2.008
  386   HD23  LEU  46          2HD2      LEU  46   2.897   1.171  -0.623
  387    H    LYS  47           H        LYS  47   8.609  -1.196  -1.755
  388    HA   LYS  47           HA       LYS  47   8.168  -1.278  -4.577
  389    HB2  LYS  47           2HB      LYS  47   9.939   0.055  -3.188
  390    HB3  LYS  47           1HB      LYS  47  10.896  -1.410  -3.344
  391    HG2  LYS  47           2HG      LYS  47  10.815  -1.252  -5.755
  392    HG3  LYS  47           1HG      LYS  47   9.756   0.157  -5.649
  393    HD2  LYS  47           2HD      LYS  47  11.881   0.890  -4.076
  394    HD3  LYS  47           1HD      LYS  47  12.659  -0.039  -5.359
  395    HE2  LYS  47           2HE      LYS  47  10.660   2.132  -5.928
  396    HE3  LYS  47           1HE      LYS  47  12.383   2.462  -5.742
  397    HZ1  LYS  47           3HZ      LYS  47  11.684   0.320  -7.577
  398    HZ2  LYS  47           1HZ      LYS  47  12.867   1.523  -7.715
  399    HZ3  LYS  47           2HZ      LYS  47  11.251   1.878  -8.069
  400    H    LEU  48           H        LEU  48   9.969  -3.347  -2.312
  401    HA   LEU  48           HA       LEU  48  10.847  -5.253  -4.141
  402    HB2  LEU  48           2HB      LEU  48  10.060  -5.771  -1.276
  403    HB3  LEU  48           1HB      LEU  48  11.170  -6.720  -2.248
  404    HG   LEU  48           HG       LEU  48  11.871  -3.867  -1.904
  405   HD11  LEU  48          1HD1      LEU  48  12.987  -4.998   0.343
  406   HD12  LEU  48          2HD1      LEU  48  11.332  -5.608   0.364
  407   HD13  LEU  48          3HD1      LEU  48  11.631  -3.870   0.313
  408   HD21  LEU  48          3HD2      LEU  48  13.147  -5.839  -3.056
  409   HD22  LEU  48          1HD2      LEU  48  13.651  -6.206  -1.406
  410   HD23  LEU  48          2HD2      LEU  48  14.026  -4.634  -2.113
  411    H    VAL  49           H        VAL  49   7.748  -4.897  -2.543
  412    HA   VAL  49           HA       VAL  49   6.812  -7.464  -3.532
  413    HB   VAL  49           HB       VAL  49   6.225  -6.296  -1.256
  414   HG11  VAL  49          1HG1      VAL  49   4.052  -5.199  -3.026
  415   HG12  VAL  49          2HG1      VAL  49   5.304  -4.255  -2.219
  416   HG13  VAL  49          3HG1      VAL  49   4.102  -5.122  -1.264
  417   HG21  VAL  49          3HG2      VAL  49   4.701  -7.935  -0.987
  418   HG22  VAL  49          1HG2      VAL  49   5.274  -8.439  -2.577
  419   HG23  VAL  49          2HG2      VAL  49   3.801  -7.479  -2.434
  420    H    ILE  50           H        ILE  50   6.093  -4.029  -4.011
  421    HA   ILE  50           HA       ILE  50   4.263  -4.642  -6.188
  422    HB   ILE  50           HB       ILE  50   5.163  -1.917  -5.248
  423   HG12  ILE  50          2HG1      ILE  50   2.754  -3.548  -4.409
  424   HG13  ILE  50          1HG1      ILE  50   4.135  -3.146  -3.397
  425   HG21  ILE  50          1HG2      ILE  50   2.751  -1.469  -6.224
  426   HG22  ILE  50          2HG2      ILE  50   3.126  -2.908  -7.171
  427   HG23  ILE  50          3HG2      ILE  50   4.175  -1.494  -7.263
  428   HD11  ILE  50          3HD1      ILE  50   3.509  -0.710  -3.826
  429   HD12  ILE  50          1HD1      ILE  50   2.476  -1.652  -2.750
  430   HD13  ILE  50          2HD1      ILE  50   1.973  -1.348  -4.412
  431    H    ASN  51           H        ASN  51   7.379  -4.932  -6.188
  432    HA   ASN  51           HA       ASN  51   8.499  -3.164  -8.010
  433    HB2  ASN  51           2HB      ASN  51  10.066  -5.068  -8.557
  434    HB3  ASN  51           1HB      ASN  51   9.927  -4.682  -6.844
  435   HD21  ASN  51          1HD2      ASN  51  10.936  -7.055  -7.430
  436   HD22  ASN  51          2HD2      ASN  51   9.802  -8.322  -7.123
  437    H    GLU  52           H        GLU  52   6.588  -6.072  -8.574
  438    HA   GLU  52           HA       GLU  52   6.946  -6.359 -11.308
  439    HB2  GLU  52           2HB      GLU  52   4.364  -6.868  -9.829
  440    HB3  GLU  52           1HB      GLU  52   4.911  -7.638 -11.312
  441    HG2  GLU  52           2HG      GLU  52   6.948  -8.214  -9.591
  442    HG3  GLU  52           1HG      GLU  52   5.543  -8.250  -8.528
  443    HA   PRO  53           HA       PRO  53   5.455  -2.391 -12.822
  444    HB2  PRO  53           2HB      PRO  53   5.057  -4.201 -15.175
  445    HB3  PRO  53           1HB      PRO  53   5.741  -2.571 -15.116
  446    HG2  PRO  53           2HG      PRO  53   7.316  -4.722 -15.293
  447    HG3  PRO  53           1HG      PRO  53   7.784  -3.312 -14.326
  448    HD2  PRO  53           2HD      PRO  53   6.889  -5.993 -13.438
  449    HD3  PRO  53           1HD      PRO  53   7.902  -4.804 -12.598
  450    H    SER  54           H        SER  54   3.761  -5.468 -13.104
  451    HA   SER  54           HA       SER  54   1.266  -4.409 -13.930
  452    HB2  SER  54           2HB      SER  54   2.264  -6.915 -13.770
  453    HB3  SER  54           1HB      SER  54   1.262  -6.897 -12.320
  454    HG   SER  54           HG       SER  54   0.426  -7.371 -14.699
  455    H    ARG  55           H        ARG  55   2.785  -4.848 -10.821
  456    HA   ARG  55           HA       ARG  55   0.345  -4.251  -9.363
  457    HB2  ARG  55           2HB      ARG  55   3.140  -4.566  -8.268
  458    HB3  ARG  55           1HB      ARG  55   1.632  -4.650  -7.372
  459    HG2  ARG  55           2HG      ARG  55   1.041  -6.712  -8.433
  460    HG3  ARG  55           1HG      ARG  55   2.420  -6.593  -9.529
  461    HD2  ARG  55           2HD      ARG  55   3.907  -7.258  -7.948
  462    HD3  ARG  55           1HD      ARG  55   3.014  -6.493  -6.634
  463    HE   ARG  55           HE       ARG  55   2.010  -8.498  -6.244
  464   HH11  ARG  55          1HH1      ARG  55   3.172  -8.490  -9.534
  465   HH12  ARG  55          2HH1      ARG  55   2.722 -10.136  -9.829
  466   HH21  ARG  55          1HH2      ARG  55   1.416 -10.662  -6.629
  467   HH22  ARG  55          2HH2      ARG  55   1.723 -11.369  -8.181
  468    H    LEU  56           H        LEU  56   2.581  -2.413 -10.973
  469    HA   LEU  56           HA       LEU  56   3.299  -0.372  -9.254
  470    HB2  LEU  56           2HB      LEU  56   2.813  -0.522 -12.189
  471    HB3  LEU  56           1HB      LEU  56   3.025   1.058 -11.461
  472    HG   LEU  56           HG       LEU  56   5.019  -1.191 -11.197
  473   HD11  LEU  56          1HD1      LEU  56   4.936   1.121 -13.126
  474   HD12  LEU  56          2HD1      LEU  56   4.907  -0.600 -13.515
  475   HD13  LEU  56          3HD1      LEU  56   6.359   0.125 -12.825
  476   HD21  LEU  56          3HD2      LEU  56   4.827   1.578 -10.189
  477   HD22  LEU  56          1HD2      LEU  56   6.402   1.062 -10.790
  478   HD23  LEU  56          2HD2      LEU  56   5.617   0.166  -9.490
  479    HA   PRO  57           HA       PRO  57  -0.917   1.861 -10.554
  480    HB2  PRO  57           2HB      PRO  57  -2.558  -0.616 -10.715
  481    HB3  PRO  57           1HB      PRO  57  -2.663   0.868 -11.667
  482    HG2  PRO  57           2HG      PRO  57  -1.625  -1.353 -12.711
  483    HG3  PRO  57           1HG      PRO  57  -0.938   0.241 -13.081
  484    HD2  PRO  57           2HD      PRO  57   0.080  -1.882 -11.245
  485    HD3  PRO  57           1HD      PRO  57   0.977  -0.770 -12.295
  486    H    LEU  58           H        LEU  58  -0.506  -1.013  -8.614
  487    HA   LEU  58           HA       LEU  58  -2.575  -0.692  -6.773
  488    HB2  LEU  58           2HB      LEU  58  -1.113  -2.689  -6.974
  489    HB3  LEU  58           1HB      LEU  58   0.190  -1.775  -6.236
  490    HG   LEU  58           HG       LEU  58  -1.440  -1.464  -4.250
  491   HD11  LEU  58          1HD1      LEU  58  -2.621  -4.057  -5.009
  492   HD12  LEU  58          2HD1      LEU  58  -3.236  -2.641  -5.863
  493   HD13  LEU  58          3HD1      LEU  58  -3.312  -2.712  -4.102
  494   HD21  LEU  58          3HD2      LEU  58   0.404  -2.721  -3.737
  495   HD22  LEU  58          1HD2      LEU  58   0.104  -3.890  -5.024
  496   HD23  LEU  58          2HD2      LEU  58  -0.865  -3.932  -3.551
  497    H    PHE  59           H        PHE  59   0.573   0.856  -6.964
  498    HA   PHE  59           HA       PHE  59   0.852   1.921  -4.443
  499    HB2  PHE  59           2HB      PHE  59   1.680   2.799  -7.164
  500    HB3  PHE  59           1HB      PHE  59   1.819   3.971  -5.857
  501    HD1  PHE  59           2HD      PHE  59   3.222   3.407  -3.864
  502    HD2  PHE  59           1HD      PHE  59   3.225   1.047  -7.405
  503    HE1  PHE  59           2HE      PHE  59   5.356   2.392  -3.179
  504    HE2  PHE  59           1HE      PHE  59   5.359   0.026  -6.727
  505    HZ   PHE  59           HZ       PHE  59   6.428   0.700  -4.612
  506    H    ASP  60           H        ASP  60  -1.197   3.063  -7.074
  507    HA   ASP  60           HA       ASP  60  -1.952   5.536  -6.084
  508    HB2  ASP  60           2HB      ASP  60  -2.563   4.583  -8.326
  509    HB3  ASP  60           1HB      ASP  60  -3.781   3.601  -7.518
  510    H    ALA  61           H        ALA  61  -3.327   2.355  -5.413
  511    HA   ALA  61           HA       ALA  61  -5.349   3.310  -3.639
  512    HB1  ALA  61           1HB      ALA  61  -5.023   1.009  -4.961
  513    HB2  ALA  61           2HB      ALA  61  -6.037   1.153  -3.525
  514    HB3  ALA  61           3HB      ALA  61  -4.396   0.519  -3.387
  515    H    ILE  62           H        ILE  62  -1.999   2.442  -3.273
  516    HA   ILE  62           HA       ILE  62  -2.017   1.951  -0.483
  517    HB   ILE  62           HB       ILE  62   0.278   2.969  -2.162
  518   HG12  ILE  62          2HG1      ILE  62  -0.727   0.876  -3.038
  519   HG13  ILE  62          1HG1      ILE  62   0.912   0.640  -2.443
  520   HG21  ILE  62          1HG2      ILE  62   1.588   2.792  -0.366
  521   HG22  ILE  62          2HG2      ILE  62   0.912   1.222   0.068
  522   HG23  ILE  62          3HG2      ILE  62   0.106   2.703   0.586
  523   HD11  ILE  62          3HD1      ILE  62  -1.443  -0.740  -1.723
  524   HD12  ILE  62          1HD1      ILE  62  -0.885   0.148  -0.305
  525   HD13  ILE  62          2HD1      ILE  62   0.199  -0.977  -1.124
  526    H    ARG  63           H        ARG  63  -1.720   4.881  -2.411
  527    HA   ARG  63           HA       ARG  63  -0.785   6.632  -0.451
  528    HB2  ARG  63           2HB      ARG  63  -2.241   6.888  -3.006
  529    HB3  ARG  63           1HB      ARG  63  -2.432   8.241  -1.900
  530    HG2  ARG  63           2HG      ARG  63  -0.188   8.790  -1.974
  531    HG3  ARG  63           1HG      ARG  63   0.292   7.181  -2.516
  532    HD2  ARG  63           2HD      ARG  63  -1.516   8.526  -4.366
  533    HD3  ARG  63           1HD      ARG  63  -0.009   9.403  -4.112
  534    HE   ARG  63           HE       ARG  63   0.836   6.881  -4.554
  535   HH11  ARG  63          1HH1      ARG  63  -1.343   8.981  -6.294
  536   HH12  ARG  63          2HH1      ARG  63  -0.973   8.290  -7.839
  537   HH21  ARG  63          1HH2      ARG  63   1.324   5.974  -6.584
  538   HH22  ARG  63          2HH2      ARG  63   0.540   6.583  -8.003
  539    HA   PRO  64           HA       PRO  64  -5.673   7.671   0.289
  540    HB2  PRO  64           2HB      PRO  64  -6.267   4.745  -0.026
  541    HB3  PRO  64           1HB      PRO  64  -7.337   6.134  -0.259
  542    HG2  PRO  64           2HG      PRO  64  -6.204   4.901  -2.337
  543    HG3  PRO  64           1HG      PRO  64  -6.429   6.658  -2.317
  544    HD2  PRO  64           2HD      PRO  64  -3.948   5.082  -2.079
  545    HD3  PRO  64           1HD      PRO  64  -4.172   6.765  -2.586
  546    H    LEU  65           H        LEU  65  -4.344   4.474   1.163
  547    HA   LEU  65           HA       LEU  65  -5.311   4.514   3.823
  548    HB2  LEU  65           2HB      LEU  65  -3.184   2.923   2.415
  549    HB3  LEU  65           1HB      LEU  65  -3.477   2.732   4.134
  550    HG   LEU  65           HG       LEU  65  -5.945   2.542   2.627
  551   HD11  LEU  65          1HD1      LEU  65  -4.012   1.651   1.055
  552   HD12  LEU  65          2HD1      LEU  65  -5.568   0.830   1.179
  553   HD13  LEU  65          3HD1      LEU  65  -4.177   0.226   2.078
  554   HD21  LEU  65          3HD2      LEU  65  -4.502   0.535   4.352
  555   HD22  LEU  65          1HD2      LEU  65  -6.213   0.531   3.925
  556   HD23  LEU  65          2HD2      LEU  65  -5.566   1.803   4.959
  557    H    ILE  66           H        ILE  66  -2.255   5.392   2.332
  558    HA   ILE  66           HA       ILE  66  -0.806   5.938   4.674
  559    HB   ILE  66           HB       ILE  66  -0.520   6.517   1.792
  560   HG12  ILE  66          2HG1      ILE  66   1.750   5.925   3.624
  561   HG13  ILE  66          1HG1      ILE  66   0.527   4.677   3.406
  562   HG21  ILE  66          1HG2      ILE  66  -0.187   8.754   2.565
  563   HG22  ILE  66          2HG2      ILE  66   1.384   8.061   2.167
  564   HG23  ILE  66          3HG2      ILE  66   0.882   8.199   3.851
  565   HD11  ILE  66          3HD1      ILE  66   1.574   4.054   1.565
  566   HD12  ILE  66          1HD1      ILE  66   2.691   5.412   1.696
  567   HD13  ILE  66          2HD1      ILE  66   1.162   5.608   0.839
  568    HA   PRO  67           HA       PRO  67  -2.615   9.592   6.392
  569    HB2  PRO  67           2HB      PRO  67   0.223  10.500   6.613
  570    HB3  PRO  67           1HB      PRO  67  -1.050  10.481   7.839
  571    HG2  PRO  67           2HG      PRO  67   0.862   8.637   7.861
  572    HG3  PRO  67           1HG      PRO  67  -0.816   8.205   8.237
  573    HD2  PRO  67           2HD      PRO  67   0.767   7.691   5.763
  574    HD3  PRO  67           1HD      PRO  67  -0.492   6.700   6.524
  575    H    LEU  68           H        LEU  68  -2.923  11.818   5.965
  576    HA   LEU  68           HA       LEU  68  -2.966  12.585   3.318
  577    HB2  LEU  68           2HB      LEU  68  -2.679  14.982   4.818
  578    HB3  LEU  68           1HB      LEU  68  -4.133  14.288   4.133
  579    HG   LEU  68           HG       LEU  68  -4.358  12.934   6.262
  580   HD11  LEU  68          1HD1      LEU  68  -1.970  13.239   6.945
  581   HD12  LEU  68          2HD1      LEU  68  -3.147  13.611   8.204
  582   HD13  LEU  68          3HD1      LEU  68  -2.354  14.917   7.323
  583   HD21  LEU  68          3HD2      LEU  68  -5.888  14.602   6.269
  584   HD22  LEU  68          1HD2      LEU  68  -4.689  15.855   5.948
  585   HD23  LEU  68          2HD2      LEU  68  -4.869  15.204   7.577
  586    H    LYS  69           H        LYS  69  -0.845  14.247   5.651
  587    HA   LYS  69           HA       LYS  69   0.836  15.428   3.809
  588    HB2  LYS  69           2HB      LYS  69   2.560  15.355   5.704
  589    HB3  LYS  69           1HB      LYS  69   1.036  16.167   6.029
  590    HG2  LYS  69           2HG      LYS  69   0.743  13.435   6.739
  591    HG3  LYS  69           1HG      LYS  69   2.245  14.031   7.445
  592    HD2  LYS  69           2HD      LYS  69   0.073  15.937   7.731
  593    HD3  LYS  69           1HD      LYS  69  -0.313  14.376   8.460
  594    HE2  LYS  69           2HE      LYS  69   0.755  15.871  10.070
  595    HE3  LYS  69           1HE      LYS  69   1.753  14.452   9.748
  596    HZ1  LYS  69           3HZ      LYS  69   3.347  15.997   9.494
  597    HZ2  LYS  69           1HZ      LYS  69   2.259  17.247   9.154
  598    HZ3  LYS  69           2HZ      LYS  69   2.705  16.159   7.939
  599    H    HIS  70           H        HIS  70   1.009  12.197   5.200
  600    HA   HIS  70           HA       HIS  70   3.539  11.487   4.205
  601    HB2  HIS  70           2HB      HIS  70   1.134   9.833   4.964
  602    HB3  HIS  70           1HB      HIS  70   2.660   9.114   4.461
  603    HD1  HIS  70           1HD      HIS  70   2.965   8.044   6.808
  604    HD2  HIS  70           2HD      HIS  70   2.818  12.197   6.822
  605    HE1  HIS  70           1HE      HIS  70   3.772   8.737   9.086
  606    HE2  HIS  70           2HE      HIS  70   3.578  11.249   9.104
  607    H    GLN  71           H        GLN  71   0.321  11.356   2.775
  608    HA   GLN  71           HA       GLN  71   0.927   9.786   0.535
  609    HB2  GLN  71           2HB      GLN  71  -1.163  11.853   1.114
  610    HB3  GLN  71           1HB      GLN  71  -0.997  11.219  -0.516
  611    HG2  GLN  71           2HG      GLN  71  -1.181   8.910   0.567
  612    HG3  GLN  71           1HG      GLN  71  -1.765   9.772   1.989
  613   HE21  GLN  71          1HE2      GLN  71  -3.872   9.465   2.087
  614   HE22  GLN  71          2HE2      GLN  71  -4.988   9.663   0.783
  615    H    VAL  72           H        VAL  72   1.064  13.282   1.023
  616    HA   VAL  72           HA       VAL  72   1.807  14.027  -1.565
  617    HB   VAL  72           HB       VAL  72   2.687  15.383   0.987
  618   HG11  VAL  72          1HG1      VAL  72   3.326  17.152  -0.253
  619   HG12  VAL  72          2HG1      VAL  72   2.020  16.942  -1.418
  620   HG13  VAL  72          3HG1      VAL  72   3.474  15.950  -1.534
  621   HG21  VAL  72          3HG2      VAL  72   0.349  16.466  -0.387
  622   HG22  VAL  72          1HG2      VAL  72   0.621  16.170   1.331
  623   HG23  VAL  72          2HG2      VAL  72   0.089  14.856   0.283
  624    H    GLU  73           H        GLU  73   3.875  13.428   1.282
  625    HA   GLU  73           HA       GLU  73   6.318  13.729  -0.092
  626    HB2  GLU  73           2HB      GLU  73   5.918  13.721   2.434
  627    HB3  GLU  73           1HB      GLU  73   5.910  11.966   2.321
  628    HG2  GLU  73           2HG      GLU  73   8.137  11.837   2.048
  629    HG3  GLU  73           1HG      GLU  73   8.211  13.306   1.073
  630    H    TYR  74           H        TYR  74   4.243  10.938   0.475
  631    HA   TYR  74           HA       TYR  74   5.939   8.902  -0.359
  632    HB2  TYR  74           2HB      TYR  74   3.521   8.772   0.571
  633    HB3  TYR  74           1HB      TYR  74   3.024   8.936  -1.110
  634    HD1  TYR  74           1HD      TYR  74   5.706   6.986   0.627
  635    HD2  TYR  74           2HD      TYR  74   2.338   6.914  -1.972
  636    HE1  TYR  74           1HE      TYR  74   6.010   4.567   0.312
  637    HE2  TYR  74           2HE      TYR  74   2.632   4.492  -2.294
  638    HH   TYR  74           HH       TYR  74   5.444   2.822  -1.221
  639    H    ASP  75           H        ASP  75   3.962  11.140  -2.208
  640    HA   ASP  75           HA       ASP  75   4.537   9.980  -4.754
  641    HB2  ASP  75           2HB      ASP  75   3.081  12.331  -3.734
  642    HB3  ASP  75           1HB      ASP  75   3.813  12.554  -5.320
  643    H    GLN  76           H        GLN  76   5.965  12.490  -2.750
  644    HA   GLN  76           HA       GLN  76   7.664  13.608  -4.715
  645    HB2  GLN  76           2HB      GLN  76   7.843  13.521  -1.703
  646    HB3  GLN  76           1HB      GLN  76   8.986  14.404  -2.707
  647    HG2  GLN  76           2HG      GLN  76   7.124  15.738  -3.608
  648    HG3  GLN  76           1HG      GLN  76   6.020  14.886  -2.529
  649   HE21  GLN  76          1HE2      GLN  76   6.051  17.529  -2.331
  650   HE22  GLN  76          2HE2      GLN  76   6.869  18.049  -0.900
  651    H    LEU  77           H        LEU  77   7.905  10.781  -2.687
  652    HA   LEU  77           HA       LEU  77  10.713  10.378  -3.318
  653    HB2  LEU  77           2HB      LEU  77   8.718   8.831  -1.676
  654    HB3  LEU  77           1HB      LEU  77  10.330   8.226  -2.010
  655    HG   LEU  77           HG       LEU  77   9.780  10.845  -0.618
  656   HD11  LEU  77          1HD1      LEU  77  10.588   8.227   0.630
  657   HD12  LEU  77          2HD1      LEU  77   8.946   8.868   0.648
  658   HD13  LEU  77          3HD1      LEU  77  10.245   9.747   1.454
  659   HD21  LEU  77          3HD2      LEU  77  11.926  11.109  -1.286
  660   HD22  LEU  77          1HD2      LEU  77  12.201   9.376  -1.464
  661   HD23  LEU  77          2HD2      LEU  77  12.242  10.116   0.137
  662    H    THR  78           H        THR  78   7.584   9.269  -4.358
  663    HA   THR  78           HA       THR  78   8.818   7.228  -6.057
  664    HB   THR  78           HB       THR  78   6.551   6.354  -6.365
  665    HG1  THR  78           1HG      THR  78   5.720   8.385  -4.575
  666   HG21  THR  78          3HG2      THR  78   6.706   5.179  -4.504
  667   HG22  THR  78          1HG2      THR  78   6.261   6.578  -3.527
  668   HG23  THR  78          2HG2      THR  78   7.951   6.299  -3.949
  669    HA   PRO  79           HA       PRO  79   8.471  10.464  -9.239
  670    HB2  PRO  79           2HB      PRO  79   9.612   8.255 -10.861
  671    HB3  PRO  79           1HB      PRO  79  10.157   9.927 -10.694
  672    HG2  PRO  79           2HG      PRO  79  11.490   7.932  -9.530
  673    HG3  PRO  79           1HG      PRO  79  11.298   9.500  -8.723
  674    HD2  PRO  79           2HD      PRO  79   9.858   6.924  -8.233
  675    HD3  PRO  79           1HD      PRO  79  10.423   8.140  -7.069
  676    H    ARG  80           H        ARG  80   7.479  10.498 -11.425
  677    HA   ARG  80           HA       ARG  80   5.678   8.295 -12.031
  678    HB2  ARG  80           2HB      ARG  80   3.771   9.995 -12.266
  679    HB3  ARG  80           1HB      ARG  80   4.199   9.468 -10.644
  680    HG2  ARG  80           2HG      ARG  80   5.579  11.535 -10.417
  681    HG3  ARG  80           1HG      ARG  80   4.923  12.071 -11.966
  682    HD2  ARG  80           2HD      ARG  80   2.999  12.712 -11.031
  683    HD3  ARG  80           1HD      ARG  80   2.840  11.197 -10.149
  684    HE   ARG  80           HE       ARG  80   3.909  12.159  -8.319
  685   HH11  ARG  80          1HH1      ARG  80   3.788  14.395 -11.002
  686   HH12  ARG  80          2HH1      ARG  80   4.172  15.773 -10.029
  687   HH21  ARG  80          1HH2      ARG  80   4.419  13.973  -7.046
  688   HH22  ARG  80          2HH2      ARG  80   4.532  15.534  -7.787
  Start of MODEL   16
    1    H1   MET   1           1HT      MET   1 -17.699   7.507  11.298
    2    H2   MET   1           2HT      MET   1 -16.766   7.058  12.667
    3    H3   MET   1           3HT      MET   1 -17.735   5.890  11.866
    4    HA   MET   1           HA       MET   1 -15.544   7.328  10.547
    5    HB2  MET   1           2HB      MET   1 -15.519   5.106  12.486
    6    HB3  MET   1           1HB      MET   1 -14.600   4.811  11.018
    7    HG2  MET   1           2HG      MET   1 -13.522   7.089  11.464
    8    HG3  MET   1           1HG      MET   1 -14.202   6.939  13.085
    9    HE1  MET   1           2HE      MET   1 -10.862   6.028  11.070
   10    HE2  MET   1           3HE      MET   1 -12.280   5.277  10.340
   11    HE3  MET   1           1HE      MET   1 -11.057   4.276  11.123
   12    H    ASP   2           H        ASP   2 -16.074   7.202   8.461
   13    HA   ASP   2           HA       ASP   2 -17.431   4.796   7.473
   14    HB2  ASP   2           2HB      ASP   2 -17.427   7.644   6.691
   15    HB3  ASP   2           1HB      ASP   2 -17.435   6.500   5.352
   16    H    ARG   3           H        ARG   3 -16.800   4.161   5.183
   17    HA   ARG   3           HA       ARG   3 -13.950   4.546   4.643
   18    HB2  ARG   3           2HB      ARG   3 -15.300   1.872   5.013
   19    HB3  ARG   3           1HB      ARG   3 -13.740   2.065   4.229
   20    HG2  ARG   3           2HG      ARG   3 -14.133   3.203   6.951
   21    HG3  ARG   3           1HG      ARG   3 -13.905   1.463   6.768
   22    HD2  ARG   3           2HD      ARG   3 -11.963   2.686   5.146
   23    HD3  ARG   3           1HD      ARG   3 -11.962   3.576   6.669
   24    HE   ARG   3           HE       ARG   3 -11.959   0.922   7.373
   25   HH11  ARG   3          1HH1      ARG   3  -9.898   3.015   5.489
   26   HH12  ARG   3          2HH1      ARG   3  -8.455   2.129   5.852
   27   HH21  ARG   3          1HH2      ARG   3 -10.062  -0.246   7.851
   28   HH22  ARG   3          2HH2      ARG   3  -8.549   0.276   7.192
   29    H    LYS   4           H        LYS   4 -13.482   4.692   2.521
   30    HA   LYS   4           HA       LYS   4 -15.538   3.851   0.591
   31    HB2  LYS   4           2HB      LYS   4 -14.886   6.496   1.194
   32    HB3  LYS   4           1HB      LYS   4 -14.027   6.166  -0.305
   33    HG2  LYS   4           2HG      LYS   4 -16.890   5.385  -0.093
   34    HG3  LYS   4           1HG      LYS   4 -16.478   7.085  -0.321
   35    HD2  LYS   4           2HD      LYS   4 -16.599   6.462  -2.506
   36    HD3  LYS   4           1HD      LYS   4 -14.913   6.043  -2.203
   37    HE2  LYS   4           2HE      LYS   4 -16.174   4.266  -3.388
   38    HE3  LYS   4           1HE      LYS   4 -15.491   3.738  -1.850
   39    HZ1  LYS   4           3HZ      LYS   4 -18.257   4.738  -1.953
   40    HZ2  LYS   4           1HZ      LYS   4 -17.551   3.654  -0.862
   41    HZ3  LYS   4           2HZ      LYS   4 -17.922   3.152  -2.433
   42    H    VAL   5           H        VAL   5 -12.185   5.074   0.740
   43    HA   VAL   5           HA       VAL   5 -11.404   3.679  -1.624
   44    HB   VAL   5           HB       VAL   5  -9.540   4.767   0.484
   45   HG11  VAL   5          1HG1      VAL   5  -8.539   5.221  -2.073
   46   HG12  VAL   5          2HG1      VAL   5  -9.211   3.592  -2.133
   47   HG13  VAL   5          3HG1      VAL   5  -7.997   4.002  -0.921
   48   HG21  VAL   5          3HG2      VAL   5 -10.168   6.850   0.028
   49   HG22  VAL   5          1HG2      VAL   5 -11.480   6.216  -0.968
   50   HG23  VAL   5          2HG2      VAL   5  -9.915   6.579  -1.697
   51    H    ALA   6           H        ALA   6 -11.485   2.901   1.758
   52    HA   ALA   6           HA       ALA   6  -9.560   0.906   1.919
   53    HB1  ALA   6           1HB      ALA   6 -10.338   1.286   3.997
   54    HB2  ALA   6           2HB      ALA   6 -11.436  -0.038   3.611
   55    HB3  ALA   6           3HB      ALA   6 -11.973   1.632   3.434
   56    H    ARG   7           H        ARG   7 -12.956   0.671   0.956
   57    HA   ARG   7           HA       ARG   7 -13.010  -2.117   0.592
   58    HB2  ARG   7           2HB      ARG   7 -15.015  -0.620   0.740
   59    HB3  ARG   7           1HB      ARG   7 -14.663  -0.071  -0.893
   60    HG2  ARG   7           2HG      ARG   7 -14.731  -2.935  -0.828
   61    HG3  ARG   7           1HG      ARG   7 -16.203  -2.278  -0.111
   62    HD2  ARG   7           2HD      ARG   7 -16.779  -2.380  -2.340
   63    HD3  ARG   7           1HD      ARG   7 -16.195  -0.723  -2.200
   64    HE   ARG   7           HE       ARG   7 -14.120  -2.530  -2.948
   65   HH11  ARG   7          1HH1      ARG   7 -16.837  -0.722  -4.182
   66   HH12  ARG   7          2HH1      ARG   7 -16.209  -0.636  -5.793
   67   HH21  ARG   7          1HH2      ARG   7 -13.288  -2.415  -5.066
   68   HH22  ARG   7          2HH2      ARG   7 -14.194  -1.597  -6.296
   69    H    GLU   8           H        GLU   8 -12.539   0.514  -1.732
   70    HA   GLU   8           HA       GLU   8 -12.147  -1.086  -3.999
   71    HB2  GLU   8           2HB      GLU   8 -12.483   1.478  -3.802
   72    HB3  GLU   8           1HB      GLU   8 -10.737   1.540  -3.606
   73    HG2  GLU   8           2HG      GLU   8 -10.374   1.229  -5.778
   74    HG3  GLU   8           1HG      GLU   8 -11.553  -0.079  -5.876
   75    H    PHE   9           H        PHE   9  -9.947  -0.007  -1.485
   76    HA   PHE   9           HA       PHE   9  -7.518  -0.700  -2.697
   77    HB2  PHE   9           2HB      PHE   9  -7.610   0.653  -0.669
   78    HB3  PHE   9           1HB      PHE   9  -8.279  -0.702   0.232
   79    HD1  PHE   9           1HD      PHE   9  -5.414  -0.453  -2.141
   80    HD2  PHE   9           2HD      PHE   9  -6.737  -1.376   1.796
   81    HE1  PHE   9           1HE      PHE   9  -3.138  -1.180  -1.551
   82    HE2  PHE   9           2HE      PHE   9  -4.464  -2.102   2.394
   83    HZ   PHE   9           HZ       PHE   9  -2.661  -2.005   0.721
   84    H    ARG  10           H        ARG  10  -9.675  -2.585  -0.597
   85    HA   ARG  10           HA       ARG  10  -8.133  -4.918  -0.475
   86    HB2  ARG  10           2HB      ARG  10 -10.566  -4.093   0.541
   87    HB3  ARG  10           1HB      ARG  10 -11.019  -5.397  -0.547
   88    HG2  ARG  10           2HG      ARG  10  -9.853  -6.986   0.660
   89    HG3  ARG  10           1HG      ARG  10  -8.805  -5.786   1.419
   90    HD2  ARG  10           2HD      ARG  10 -11.120  -4.941   2.398
   91    HD3  ARG  10           1HD      ARG  10 -11.566  -6.625   2.123
   92    HE   ARG  10           HE       ARG  10  -9.885  -5.623   4.185
   93   HH11  ARG  10          1HH1      ARG  10 -10.361  -8.364   2.079
   94   HH12  ARG  10          2HH1      ARG  10  -9.609  -9.486   3.162
   95   HH21  ARG  10          1HH2      ARG  10  -8.895  -7.098   5.613
   96   HH22  ARG  10          2HH2      ARG  10  -8.775  -8.767   5.168
   97    H    HIS  11           H        HIS  11 -10.701  -3.971  -2.740
   98    HA   HIS  11           HA       HIS  11 -10.642  -6.353  -4.260
   99    HB2  HIS  11           2HB      HIS  11 -11.881  -3.702  -4.472
  100    HB3  HIS  11           1HB      HIS  11 -11.505  -4.432  -6.030
  101    HD1  HIS  11           1HD      HIS  11 -12.313  -7.206  -5.916
  102    HD2  HIS  11           2HD      HIS  11 -14.409  -4.319  -3.784
  103    HE1  HIS  11           1HE      HIS  11 -14.584  -8.199  -5.490
  104    HE2  HIS  11           2HE      HIS  11 -15.802  -6.470  -4.122
  105    H    LYS  12           H        LYS  12  -8.976  -3.253  -4.596
  106    HA   LYS  12           HA       LYS  12  -7.765  -3.693  -7.074
  107    HB2  LYS  12           2HB      LYS  12  -7.754  -1.684  -5.165
  108    HB3  LYS  12           1HB      LYS  12  -6.082  -2.226  -5.195
  109    HG2  LYS  12           2HG      LYS  12  -6.697  -2.035  -7.858
  110    HG3  LYS  12           1HG      LYS  12  -7.592  -0.689  -7.152
  111    HD2  LYS  12           2HD      LYS  12  -5.494   0.016  -6.006
  112    HD3  LYS  12           1HD      LYS  12  -4.639  -1.248  -6.891
  113    HE2  LYS  12           2HE      LYS  12  -4.282   0.357  -8.419
  114    HE3  LYS  12           1HE      LYS  12  -5.946   0.034  -8.904
  115    HZ1  LYS  12           3HZ      LYS  12  -5.314   2.020  -6.810
  116    HZ2  LYS  12           1HZ      LYS  12  -6.719   1.879  -7.741
  117    HZ3  LYS  12           2HZ      LYS  12  -5.287   2.435  -8.449
  118    H    VAL  13           H        VAL  13  -6.315  -4.080  -3.839
  119    HA   VAL  13           HA       VAL  13  -3.911  -5.206  -4.603
  120    HB   VAL  13           HB       VAL  13  -5.451  -5.948  -2.115
  121   HG11  VAL  13          1HG1      VAL  13  -3.350  -7.243  -2.784
  122   HG12  VAL  13          2HG1      VAL  13  -3.401  -6.558  -1.159
  123   HG13  VAL  13          3HG1      VAL  13  -2.471  -5.756  -2.426
  124   HG21  VAL  13          3HG2      VAL  13  -5.130  -3.906  -1.284
  125   HG22  VAL  13          1HG2      VAL  13  -4.698  -3.394  -2.915
  126   HG23  VAL  13          2HG2      VAL  13  -3.439  -3.895  -1.786
  127    H    ASP  14           H        ASP  14  -7.006  -6.818  -4.005
  128    HA   ASP  14           HA       ASP  14  -5.990  -9.455  -4.332
  129    HB2  ASP  14           2HB      ASP  14  -8.252  -8.530  -3.271
  130    HB3  ASP  14           1HB      ASP  14  -8.858  -8.863  -4.891
  131    H    PHE  15           H        PHE  15  -7.551  -7.142  -6.495
  132    HA   PHE  15           HA       PHE  15  -7.792  -8.912  -8.698
  133    HB2  PHE  15           2HB      PHE  15  -8.959  -6.627  -8.250
  134    HB3  PHE  15           1HB      PHE  15  -7.534  -5.939  -9.019
  135    HD1  PHE  15           2HD      PHE  15 -10.008  -8.668  -9.618
  136    HD2  PHE  15           1HD      PHE  15  -7.650  -5.534 -11.269
  137    HE1  PHE  15           2HE      PHE  15 -11.005  -9.088 -11.828
  138    HE2  PHE  15           1HE      PHE  15  -8.642  -5.948 -13.482
  139    HZ   PHE  15           HZ       PHE  15 -10.322  -7.726 -13.763
  140    H    LEU  16           H        LEU  16  -5.297  -6.645  -7.672
  141    HA   LEU  16           HA       LEU  16  -3.717  -7.054 -10.048
  142    HB2  LEU  16           2HB      LEU  16  -2.763  -5.779  -7.502
  143    HB3  LEU  16           1HB      LEU  16  -2.188  -5.502  -9.135
  144    HG   LEU  16           HG       LEU  16  -5.022  -4.826  -8.700
  145   HD11  LEU  16          1HD1      LEU  16  -4.829  -3.197  -7.168
  146   HD12  LEU  16          2HD1      LEU  16  -3.219  -2.732  -7.711
  147   HD13  LEU  16          3HD1      LEU  16  -3.422  -4.114  -6.636
  148   HD21  LEU  16          3HD2      LEU  16  -2.849  -3.086  -9.807
  149   HD22  LEU  16          1HD2      LEU  16  -4.567  -3.112 -10.205
  150   HD23  LEU  16          2HD2      LEU  16  -3.517  -4.421 -10.747
  151    H    ILE  17           H        ILE  17  -3.222  -7.720  -6.596
  152    HA   ILE  17           HA       ILE  17  -0.935  -9.342  -7.001
  153    HB   ILE  17           HB       ILE  17  -2.771  -9.384  -4.609
  154   HG12  ILE  17          2HG1      ILE  17  -2.045  -7.081  -5.151
  155   HG13  ILE  17          1HG1      ILE  17  -1.349  -7.657  -3.642
  156   HG21  ILE  17          1HG2      ILE  17   0.123  -9.750  -4.283
  157   HG22  ILE  17          2HG2      ILE  17  -0.696 -11.037  -5.167
  158   HG23  ILE  17          3HG2      ILE  17  -1.224 -10.611  -3.540
  159   HD11  ILE  17          3HD1      ILE  17   0.407  -8.273  -5.814
  160   HD12  ILE  17          1HD1      ILE  17   0.692  -7.272  -4.389
  161   HD13  ILE  17          2HD1      ILE  17  -0.018  -6.561  -5.840
  162    H    GLU  18           H        GLU  18  -4.103 -10.329  -5.737
  163    HA   GLU  18           HA       GLU  18  -5.405 -12.158  -6.157
  164    HB2  GLU  18           2HB      GLU  18  -4.235 -11.804  -8.564
  165    HB3  GLU  18           1HB      GLU  18  -3.586 -13.383  -8.144
  166    HG2  GLU  18           2HG      GLU  18  -6.468 -13.089  -7.706
  167    HG3  GLU  18           1HG      GLU  18  -5.954 -12.957  -9.387
  168    H    ASN  19           H        ASN  19  -2.401 -12.140  -4.881
  169    HA   ASN  19           HA       ASN  19  -2.428 -15.015  -4.291
  170    HB2  ASN  19           2HB      ASN  19  -0.373 -13.826  -5.398
  171    HB3  ASN  19           1HB      ASN  19  -0.052 -13.268  -3.759
  172   HD21  ASN  19          1HD2      ASN  19  -0.475 -16.116  -5.767
  173   HD22  ASN  19          2HD2      ASN  19   0.435 -17.188  -4.763
  174    H    ASP  20           H        ASP  20  -1.400 -15.488  -2.070
  175    HA   ASP  20           HA       ASP  20  -2.718 -13.740  -0.112
  176    HB2  ASP  20           2HB      ASP  20  -3.011 -16.417  -0.442
  177    HB3  ASP  20           1HB      ASP  20  -1.723 -16.384   0.758
  178    H    ALA  21           H        ALA  21   0.313 -15.336  -0.884
  179    HA   ALA  21           HA       ALA  21   1.701 -14.607   1.471
  180    HB1  ALA  21           1HB      ALA  21   3.267 -14.908  -1.008
  181    HB2  ALA  21           2HB      ALA  21   2.247 -16.277  -0.563
  182    HB3  ALA  21           3HB      ALA  21   3.467 -15.681   0.564
  183    H    GLU  22           H        GLU  22   1.810 -13.239  -1.803
  184    HA   GLU  22           HA       GLU  22   3.478 -11.075  -1.207
  185    HB2  GLU  22           2HB      GLU  22   1.448 -11.561  -3.369
  186    HB3  GLU  22           1HB      GLU  22   2.311 -10.032  -3.266
  187    HG2  GLU  22           2HG      GLU  22   3.652 -11.167  -4.715
  188    HG3  GLU  22           1HG      GLU  22   4.419 -11.586  -3.183
  189    H    LYS  23           H        LYS  23  -0.025 -11.408  -1.051
  190    HA   LYS  23           HA       LYS  23  -0.576  -8.681  -0.503
  191    HB2  LYS  23           2HB      LYS  23  -2.070 -11.231  -0.441
  192    HB3  LYS  23           1HB      LYS  23  -2.678  -9.976   0.630
  193    HG2  LYS  23           2HG      LYS  23  -2.350  -8.553  -1.636
  194    HG3  LYS  23           1HG      LYS  23  -2.716 -10.144  -2.305
  195    HD2  LYS  23           2HD      LYS  23  -4.384  -8.737  -0.222
  196    HD3  LYS  23           1HD      LYS  23  -4.726  -8.725  -1.954
  197    HE2  LYS  23           2HE      LYS  23  -5.612 -10.776  -1.901
  198    HE3  LYS  23           1HE      LYS  23  -4.307 -11.406  -0.896
  199    HZ1  LYS  23           3HZ      LYS  23  -5.477 -11.078   0.979
  200    HZ2  LYS  23           1HZ      LYS  23  -6.815 -11.132  -0.055
  201    HZ3  LYS  23           2HZ      LYS  23  -6.186  -9.642   0.438
  202    H    ASP  24           H        ASP  24   0.351 -11.407   1.471
  203    HA   ASP  24           HA       ASP  24  -0.327 -10.212   3.977
  204    HB2  ASP  24           2HB      ASP  24  -0.002 -12.700   3.518
  205    HB3  ASP  24           1HB      ASP  24   1.729 -12.379   3.537
  206    H    TYR  25           H        TYR  25   2.464 -10.211   1.883
  207    HA   TYR  25           HA       TYR  25   4.316  -9.147   3.756
  208    HB2  TYR  25           2HB      TYR  25   4.600 -10.253   1.328
  209    HB3  TYR  25           1HB      TYR  25   4.652  -8.558   0.861
  210    HD1  TYR  25           1HD      TYR  25   6.212  -7.126   2.607
  211    HD2  TYR  25           2HD      TYR  25   6.652 -11.240   1.619
  212    HE1  TYR  25           1HE      TYR  25   8.584  -7.021   3.247
  213    HE2  TYR  25           2HE      TYR  25   9.023 -11.147   2.257
  214    HH   TYR  25           HH       TYR  25  10.516  -9.830   3.611
  215    H    LEU  26           H        LEU  26   2.379  -7.673   1.163
  216    HA   LEU  26           HA       LEU  26   3.224  -5.022   1.669
  217    HB2  LEU  26           2HB      LEU  26   1.598  -4.347   0.116
  218    HB3  LEU  26           1HB      LEU  26   2.123  -5.925  -0.435
  219    HG   LEU  26           HG       LEU  26   0.036  -6.758   0.934
  220   HD11  LEU  26          1HD1      LEU  26  -0.954  -4.987   1.928
  221   HD12  LEU  26          2HD1      LEU  26  -1.739  -4.841   0.356
  222   HD13  LEU  26          3HD1      LEU  26  -0.342  -3.836   0.740
  223   HD21  LEU  26          3HD2      LEU  26  -0.478  -5.353  -1.667
  224   HD22  LEU  26          1HD2      LEU  26  -1.172  -6.859  -1.070
  225   HD23  LEU  26          2HD2      LEU  26   0.518  -6.805  -1.574
  226    H    TYR  27           H        TYR  27   0.616  -7.001   2.930
  227    HA   TYR  27           HA       TYR  27  -0.812  -4.922   4.216
  228    HB2  TYR  27           2HB      TYR  27  -0.859  -7.858   4.180
  229    HB3  TYR  27           1HB      TYR  27  -1.353  -7.158   5.719
  230    HD1  TYR  27           2HD      TYR  27  -1.980  -6.720   2.057
  231    HD2  TYR  27           1HD      TYR  27  -3.580  -6.620   5.999
  232    HE1  TYR  27           2HE      TYR  27  -4.216  -6.281   1.133
  233    HE2  TYR  27           1HE      TYR  27  -5.820  -6.181   5.085
  234    HH   TYR  27           HH       TYR  27  -6.643  -6.660   1.927
  235    H    ASP  28           H        ASP  28   1.848  -6.997   5.193
  236    HA   ASP  28           HA       ASP  28   1.854  -6.220   7.928
  237    HB2  ASP  28           2HB      ASP  28   2.929  -8.302   6.907
  238    HB3  ASP  28           1HB      ASP  28   4.241  -7.245   6.393
  239    H    VAL  29           H        VAL  29   3.447  -5.036   5.027
  240    HA   VAL  29           HA       VAL  29   5.284  -3.296   6.257
  241    HB   VAL  29           HB       VAL  29   3.968  -2.815   3.585
  242   HG11  VAL  29          1HG1      VAL  29   5.319  -0.975   4.309
  243   HG12  VAL  29          2HG1      VAL  29   6.196  -1.842   3.048
  244   HG13  VAL  29          3HG1      VAL  29   6.645  -2.054   4.741
  245   HG21  VAL  29          3HG2      VAL  29   4.814  -4.733   2.847
  246   HG22  VAL  29          1HG2      VAL  29   5.541  -5.065   4.418
  247   HG23  VAL  29          2HG2      VAL  29   6.428  -4.128   3.215
  248    H    LEU  30           H        LEU  30   2.019  -2.698   4.969
  249    HA   LEU  30           HA       LEU  30   1.913   0.035   5.630
  250    HB2  LEU  30           2HB      LEU  30  -0.347  -1.954   5.379
  251    HB3  LEU  30           1HB      LEU  30  -0.531  -0.210   5.402
  252    HG   LEU  30           HG       LEU  30   1.211  -1.459   3.318
  253   HD11  LEU  30          1HD1      LEU  30  -1.270  -2.449   3.608
  254   HD12  LEU  30          2HD1      LEU  30  -0.472  -2.256   2.048
  255   HD13  LEU  30          3HD1      LEU  30  -1.618  -1.039   2.609
  256   HD21  LEU  30          3HD2      LEU  30   1.027   0.533   2.271
  257   HD22  LEU  30          1HD2      LEU  30   0.659   1.104   3.900
  258   HD23  LEU  30          2HD2      LEU  30  -0.650   0.763   2.767
  259    H    ARG  31           H        ARG  31   0.877  -2.852   7.406
  260    HA   ARG  31           HA       ARG  31  -0.320  -1.579   9.584
  261    HB2  ARG  31           2HB      ARG  31   0.579  -4.250   8.917
  262    HB3  ARG  31           1HB      ARG  31   0.888  -3.887  10.609
  263    HG2  ARG  31           2HG      ARG  31  -1.223  -4.369  11.049
  264    HG3  ARG  31           1HG      ARG  31  -1.709  -2.970  10.090
  265    HD2  ARG  31           2HD      ARG  31  -1.843  -4.322   8.101
  266    HD3  ARG  31           1HD      ARG  31  -1.195  -5.718   8.961
  267    HE   ARG  31           HE       ARG  31  -3.277  -6.114   9.829
  268   HH11  ARG  31          1HH1      ARG  31  -3.204  -2.900   8.469
  269   HH12  ARG  31          2HH1      ARG  31  -4.909  -2.652   8.643
  270   HH21  ARG  31          1HH2      ARG  31  -5.521  -5.790  10.057
  271   HH22  ARG  31          2HH2      ARG  31  -6.224  -4.292   9.546
  272    H    MET  32           H        MET  32   3.045  -2.320   8.916
  273    HA   MET  32           HA       MET  32   3.956  -1.514  11.524
  274    HB2  MET  32           2HB      MET  32   5.279  -2.369   8.977
  275    HB3  MET  32           1HB      MET  32   6.234  -1.572  10.221
  276    HG2  MET  32           2HG      MET  32   4.570  -4.029  10.702
  277    HG3  MET  32           1HG      MET  32   6.283  -4.061  10.289
  278    HE1  MET  32           3HE      MET  32   5.295  -5.192  13.771
  279    HE2  MET  32           1HE      MET  32   4.108  -4.815  12.523
  280    HE3  MET  32           2HE      MET  32   4.166  -3.857  14.003
  281    H    TYR  33           H        TYR  33   3.697  -0.074   8.331
  282    HA   TYR  33           HA       TYR  33   5.259   2.205   8.726
  283    HB2  TYR  33           2HB      TYR  33   4.478   1.603   6.518
  284    HB3  TYR  33           1HB      TYR  33   2.801   1.797   7.013
  285    HD1  TYR  33           2HD      TYR  33   5.941   3.836   7.021
  286    HD2  TYR  33           1HD      TYR  33   1.753   3.711   6.283
  287    HE1  TYR  33           2HE      TYR  33   6.004   6.185   6.293
  288    HE2  TYR  33           1HE      TYR  33   1.805   6.058   5.553
  289    HH   TYR  33           HH       TYR  33   4.371   8.110   6.141
  290    H    HIS  34           H        HIS  34   1.930   1.511   9.603
  291    HA   HIS  34           HA       HIS  34   1.128   4.112  10.287
  292    HB2  HIS  34           2HB      HIS  34  -0.190   1.810  10.122
  293    HB3  HIS  34           1HB      HIS  34   0.098   1.794  11.859
  294    HD1  HIS  34           1HD      HIS  34  -1.920   2.608  13.016
  295    HD2  HIS  34           2HD      HIS  34  -1.224   4.698   9.493
  296    HE1  HIS  34           1HE      HIS  34  -3.734   4.344  12.894
  297    HE2  HIS  34           2HE      HIS  34  -3.244   5.650  10.796
  298    H    GLN  35           H        GLN  35   2.353   1.497  12.378
  299    HA   GLN  35           HA       GLN  35   2.526   3.196  14.670
  300    HB2  GLN  35           2HB      GLN  35   3.500   0.412  14.077
  301    HB3  GLN  35           1HB      GLN  35   3.857   1.214  15.599
  302    HG2  GLN  35           2HG      GLN  35   1.969   0.247  16.294
  303    HG3  GLN  35           1HG      GLN  35   1.180   1.578  15.447
  304   HE21  GLN  35          1HE2      GLN  35  -0.460   0.923  14.273
  305   HE22  GLN  35          2HE2      GLN  35  -0.569  -0.566  13.404
  306    H    THR  36           H        THR  36   4.977   1.632  12.634
  307    HA   THR  36           HA       THR  36   7.208   2.836  13.818
  308    HB   THR  36           HB       THR  36   8.458   2.091  11.918
  309    HG1  THR  36           1HG      THR  36   7.266   2.852  10.221
  310   HG21  THR  36          3HG2      THR  36   6.447   0.346  13.050
  311   HG22  THR  36          1HG2      THR  36   8.146   0.039  12.691
  312   HG23  THR  36          2HG2      THR  36   6.931  -0.143  11.426
  313    H    MET  37           H        MET  37   5.266   3.837  11.024
  314    HA   MET  37           HA       MET  37   5.000   5.854  10.008
  315    HB2  MET  37           2HB      MET  37   5.221   6.472  12.657
  316    HB3  MET  37           1HB      MET  37   6.530   7.425  11.974
  317    HG2  MET  37           2HG      MET  37   5.014   8.974  11.527
  318    HG3  MET  37           1HG      MET  37   4.420   7.901  10.262
  319    HE1  MET  37           3HE      MET  37   2.627   6.723  10.128
  320    HE2  MET  37           1HE      MET  37   1.350   7.890  10.478
  321    HE3  MET  37           2HE      MET  37   1.391   6.345  11.329
  322    H    ASP  38           H        ASP  38   6.785   4.563   8.745
  323    HA   ASP  38           HA       ASP  38   8.947   6.478   8.240
  324    HB2  ASP  38           2HB      ASP  38   9.500   4.218   9.599
  325    HB3  ASP  38           1HB      ASP  38   9.655   3.613   7.952
  326    H    VAL  39           H        VAL  39   8.490   7.187   6.257
  327    HA   VAL  39           HA       VAL  39   7.045   5.733   4.315
  328    HB   VAL  39           HB       VAL  39   8.876   8.081   3.812
  329   HG11  VAL  39          1HG1      VAL  39   6.417   7.182   2.317
  330   HG12  VAL  39          2HG1      VAL  39   8.074   6.832   1.821
  331   HG13  VAL  39          3HG1      VAL  39   7.506   8.500   1.884
  332   HG21  VAL  39          3HG2      VAL  39   7.369   9.507   4.678
  333   HG22  VAL  39          1HG2      VAL  39   6.821   8.100   5.588
  334   HG23  VAL  39          2HG2      VAL  39   5.994   8.564   4.100
  335    H    ALA  40           H        ALA  40  10.500   6.250   4.829
  336    HA   ALA  40           HA       ALA  40  11.465   5.185   2.438
  337    HB1  ALA  40           1HB      ALA  40  12.862   6.413   4.025
  338    HB2  ALA  40           2HB      ALA  40  13.570   4.849   3.620
  339    HB3  ALA  40           3HB      ALA  40  12.748   5.071   5.164
  340    H    VAL  41           H        VAL  41  10.594   3.589   5.469
  341    HA   VAL  41           HA       VAL  41  11.459   0.998   4.638
  342    HB   VAL  41           HB       VAL  41   9.469   1.630   6.815
  343   HG11  VAL  41          1HG1      VAL  41  10.953  -0.773   5.955
  344   HG12  VAL  41          2HG1      VAL  41   9.385  -0.629   6.749
  345   HG13  VAL  41          3HG1      VAL  41  10.867  -0.486   7.693
  346   HG21  VAL  41          3HG2      VAL  41  11.382   1.674   8.349
  347   HG22  VAL  41          1HG2      VAL  41  11.473   2.967   7.153
  348   HG23  VAL  41          2HG2      VAL  41  12.480   1.529   6.975
  349    H    LEU  42           H        LEU  42   8.407   2.739   4.577
  350    HA   LEU  42           HA       LEU  42   6.769   0.543   3.871
  351    HB2  LEU  42           2HB      LEU  42   5.806   2.561   4.785
  352    HB3  LEU  42           1HB      LEU  42   6.413   3.507   3.438
  353    HG   LEU  42           HG       LEU  42   4.926   2.087   1.940
  354   HD11  LEU  42          1HD1      LEU  42   4.274   0.227   3.095
  355   HD12  LEU  42          2HD1      LEU  42   2.888   1.275   3.394
  356   HD13  LEU  42          3HD1      LEU  42   4.135   1.089   4.627
  357   HD21  LEU  42          3HD2      LEU  42   4.490   4.440   3.135
  358   HD22  LEU  42          1HD2      LEU  42   3.153   3.518   3.824
  359   HD23  LEU  42          2HD2      LEU  42   3.312   3.668   2.074
  360    H    VAL  43           H        VAL  43   8.188   3.143   1.891
  361    HA   VAL  43           HA       VAL  43   7.291   2.114  -0.581
  362    HB   VAL  43           HB       VAL  43   9.708   3.868  -0.129
  363   HG11  VAL  43          1HG1      VAL  43   9.781   4.221  -2.350
  364   HG12  VAL  43          2HG1      VAL  43   8.025   4.201  -2.515
  365   HG13  VAL  43          3HG1      VAL  43   8.920   2.684  -2.433
  366   HG21  VAL  43          3HG2      VAL  43   7.113   5.058  -0.896
  367   HG22  VAL  43          1HG2      VAL  43   8.394   5.694   0.136
  368   HG23  VAL  43          2HG2      VAL  43   7.260   4.502   0.771
  369    H    GLY  44           H        GLY  44  10.406   1.837   1.110
  370    HA2  GLY  44           2HA      GLY  44  11.799   0.410  -0.839
  371    HA3  GLY  44           1HA      GLY  44  12.118   0.327   0.886
  372    H    ASP  45           H        ASP  45   9.978  -0.892   1.936
  373    HA   ASP  45           HA       ASP  45  10.384  -3.598   1.283
  374    HB2  ASP  45           2HB      ASP  45   9.360  -2.331   3.430
  375    HB3  ASP  45           1HB      ASP  45   7.866  -2.869   2.668
  376    H    LEU  46           H        LEU  46   7.643  -1.431   0.623
  377    HA   LEU  46           HA       LEU  46   5.989  -3.263  -0.664
  378    HB2  LEU  46           2HB      LEU  46   6.260  -0.316  -0.631
  379    HB3  LEU  46           1HB      LEU  46   5.371  -0.995  -1.980
  380    HG   LEU  46           HG       LEU  46   4.658  -1.819   0.805
  381   HD11  LEU  46          1HD1      LEU  46   4.818   0.780   0.421
  382   HD12  LEU  46          2HD1      LEU  46   3.454   0.064   1.281
  383   HD13  LEU  46          3HD1      LEU  46   3.287   0.520  -0.415
  384   HD21  LEU  46          3HD2      LEU  46   3.582  -3.035  -0.934
  385   HD22  LEU  46          1HD2      LEU  46   3.190  -1.556  -1.811
  386   HD23  LEU  46          2HD2      LEU  46   2.397  -1.909  -0.275
  387    H    LYS  47           H        LYS  47   8.729  -1.435  -1.872
  388    HA   LYS  47           HA       LYS  47   8.289  -1.991  -4.625
  389    HB2  LYS  47           2HB      LYS  47  10.044  -0.402  -3.154
  390    HB3  LYS  47           1HB      LYS  47  11.083  -1.589  -3.930
  391    HG2  LYS  47           2HG      LYS  47  11.059  -0.101  -5.613
  392    HG3  LYS  47           1HG      LYS  47   9.537  -0.897  -6.017
  393    HD2  LYS  47           2HD      LYS  47   8.257   0.817  -5.068
  394    HD3  LYS  47           1HD      LYS  47   9.625   1.453  -4.153
  395    HE2  LYS  47           2HE      LYS  47   9.534   2.989  -5.843
  396    HE3  LYS  47           1HE      LYS  47  10.630   1.811  -6.561
  397    HZ1  LYS  47           3HZ      LYS  47   7.903   2.494  -7.293
  398    HZ2  LYS  47           1HZ      LYS  47   8.290   0.848  -7.363
  399    HZ3  LYS  47           2HZ      LYS  47   9.185   1.967  -8.261
  400    H    LEU  48           H        LEU  48  10.246  -3.516  -2.099
  401    HA   LEU  48           HA       LEU  48  11.608  -5.376  -3.656
  402    HB2  LEU  48           2HB      LEU  48  10.590  -5.674  -0.830
  403    HB3  LEU  48           1HB      LEU  48  11.780  -6.718  -1.583
  404    HG   LEU  48           HG       LEU  48  12.295  -3.774  -1.412
  405   HD11  LEU  48          1HD1      LEU  48  12.812  -3.770   0.779
  406   HD12  LEU  48          2HD1      LEU  48  13.365  -5.445   0.764
  407   HD13  LEU  48          3HD1      LEU  48  11.641  -5.086   0.849
  408   HD21  LEU  48          3HD2      LEU  48  13.866  -6.278  -1.785
  409   HD22  LEU  48          1HD2      LEU  48  14.646  -4.886  -1.034
  410   HD23  LEU  48          2HD2      LEU  48  13.961  -4.745  -2.652
  411    H    VAL  49           H        VAL  49   8.529  -5.802  -1.910
  412    HA   VAL  49           HA       VAL  49   8.031  -8.402  -2.908
  413    HB   VAL  49           HB       VAL  49   6.956  -7.165  -0.896
  414   HG11  VAL  49          1HG1      VAL  49   4.761  -6.201  -1.319
  415   HG12  VAL  49          2HG1      VAL  49   5.003  -6.391  -3.055
  416   HG13  VAL  49          3HG1      VAL  49   6.026  -5.286  -2.136
  417   HG21  VAL  49          3HG2      VAL  49   5.841  -9.209  -2.700
  418   HG22  VAL  49          1HG2      VAL  49   4.724  -8.527  -1.518
  419   HG23  VAL  49          2HG2      VAL  49   6.217  -9.294  -0.980
  420    H    ILE  50           H        ILE  50   6.913  -5.207  -3.887
  421    HA   ILE  50           HA       ILE  50   5.296  -6.092  -6.040
  422    HB   ILE  50           HB       ILE  50   6.499  -3.409  -5.375
  423   HG12  ILE  50          2HG1      ILE  50   3.631  -4.364  -5.348
  424   HG13  ILE  50          1HG1      ILE  50   4.679  -4.331  -3.934
  425   HG21  ILE  50          1HG2      ILE  50   4.572  -2.755  -7.124
  426   HG22  ILE  50          2HG2      ILE  50   5.114  -4.278  -7.832
  427   HG23  ILE  50          3HG2      ILE  50   6.264  -2.964  -7.576
  428   HD11  ILE  50          3HD1      ILE  50   4.577  -1.779  -5.314
  429   HD12  ILE  50          1HD1      ILE  50   4.330  -2.161  -3.609
  430   HD13  ILE  50          2HD1      ILE  50   2.997  -2.328  -4.751
  431    H    ASN  51           H        ASN  51   7.964  -3.875  -6.616
  432    HA   ASN  51           HA       ASN  51   9.504  -3.752  -8.286
  433    HB2  ASN  51           2HB      ASN  51   9.816  -6.264  -6.942
  434    HB3  ASN  51           1HB      ASN  51  10.226  -6.470  -8.642
  435   HD21  ASN  51          1HD2      ASN  51  11.379  -5.602  -5.671
  436   HD22  ASN  51          2HD2      ASN  51  12.801  -4.749  -6.160
  437    H    GLU  52           H        GLU  52   6.765  -4.083  -9.155
  438    HA   GLU  52           HA       GLU  52   7.324  -4.989 -11.859
  439    HB2  GLU  52           2HB      GLU  52   5.283  -6.239 -10.058
  440    HB3  GLU  52           1HB      GLU  52   5.000  -6.173 -11.791
  441    HG2  GLU  52           2HG      GLU  52   7.631  -7.135 -11.383
  442    HG3  GLU  52           1HG      GLU  52   6.555  -8.025 -10.307
  443    HA   PRO  53           HA       PRO  53   5.230  -1.095 -12.568
  444    HB2  PRO  53           2HB      PRO  53   4.881  -2.337 -15.256
  445    HB3  PRO  53           1HB      PRO  53   5.492  -0.734 -14.827
  446    HG2  PRO  53           2HG      PRO  53   7.162  -2.659 -15.592
  447    HG3  PRO  53           1HG      PRO  53   7.601  -1.537 -14.290
  448    HD2  PRO  53           2HD      PRO  53   6.721  -4.384 -14.126
  449    HD3  PRO  53           1HD      PRO  53   7.896  -3.504 -13.126
  450    H    SER  54           H        SER  54   3.943  -4.269 -13.257
  451    HA   SER  54           HA       SER  54   1.305  -3.473 -13.914
  452    HB2  SER  54           2HB      SER  54   0.715  -5.836 -13.483
  453    HB3  SER  54           1HB      SER  54   2.153  -5.692 -14.495
  454    HG   SER  54           HG       SER  54   2.311  -7.240 -12.741
  455    H    ARG  55           H        ARG  55   2.984  -3.972 -10.904
  456    HA   ARG  55           HA       ARG  55   0.514  -3.857  -9.362
  457    HB2  ARG  55           2HB      ARG  55   3.198  -3.822  -8.068
  458    HB3  ARG  55           1HB      ARG  55   1.714  -4.594  -7.537
  459    HG2  ARG  55           2HG      ARG  55   1.996  -6.346  -9.174
  460    HG3  ARG  55           1HG      ARG  55   3.428  -5.543  -9.825
  461    HD2  ARG  55           2HD      ARG  55   4.747  -6.352  -8.208
  462    HD3  ARG  55           1HD      ARG  55   3.575  -5.976  -6.951
  463    HE   ARG  55           HE       ARG  55   3.451  -8.402  -8.626
  464   HH11  ARG  55          1HH1      ARG  55   3.060  -6.799  -5.539
  465   HH12  ARG  55          2HH1      ARG  55   2.529  -8.232  -4.731
  466   HH21  ARG  55          1HH2      ARG  55   2.752 -10.275  -7.552
  467   HH22  ARG  55          2HH2      ARG  55   2.353 -10.202  -5.868
  468    H    LEU  56           H        LEU  56   2.933  -1.739 -10.522
  469    HA   LEU  56           HA       LEU  56   3.290   0.186  -8.651
  470    HB2  LEU  56           2HB      LEU  56   3.075   0.210 -11.593
  471    HB3  LEU  56           1HB      LEU  56   2.886   1.769 -10.814
  472    HG   LEU  56           HG       LEU  56   5.259  -0.058 -10.427
  473   HD11  LEU  56          1HD1      LEU  56   5.247   2.517 -11.963
  474   HD12  LEU  56          2HD1      LEU  56   4.901   0.974 -12.745
  475   HD13  LEU  56          3HD1      LEU  56   6.457   1.233 -11.956
  476   HD21  LEU  56          3HD2      LEU  56   5.390   2.823  -9.816
  477   HD22  LEU  56          1HD2      LEU  56   6.098   1.446  -8.970
  478   HD23  LEU  56          2HD2      LEU  56   4.398   1.849  -8.731
  479    HA   PRO  57           HA       PRO  57  -1.018   2.262 -10.016
  480    HB2  PRO  57           2HB      PRO  57  -2.402  -0.352 -10.397
  481    HB3  PRO  57           1HB      PRO  57  -2.664   1.190 -11.221
  482    HG2  PRO  57           2HG      PRO  57  -1.367  -0.789 -12.436
  483    HG3  PRO  57           1HG      PRO  57  -0.849   0.895 -12.635
  484    HD2  PRO  57           2HD      PRO  57   0.369  -1.286 -11.004
  485    HD3  PRO  57           1HD      PRO  57   1.152   0.043 -11.881
  486    H    LEU  58           H        LEU  58  -0.447  -0.696  -8.249
  487    HA   LEU  58           HA       LEU  58  -2.579  -0.679  -6.464
  488    HB2  LEU  58           2HB      LEU  58  -0.718  -2.417  -6.798
  489    HB3  LEU  58           1HB      LEU  58   0.217  -1.449  -5.675
  490    HG   LEU  58           HG       LEU  58  -2.508  -2.425  -4.902
  491   HD11  LEU  58          1HD1      LEU  58  -1.848  -4.534  -4.462
  492   HD12  LEU  58          2HD1      LEU  58  -0.193  -4.054  -4.083
  493   HD13  LEU  58          3HD1      LEU  58  -0.700  -4.219  -5.764
  494   HD21  LEU  58          3HD2      LEU  58  -1.376  -2.409  -2.653
  495   HD22  LEU  58          1HD2      LEU  58  -1.574  -0.830  -3.414
  496   HD23  LEU  58          2HD2      LEU  58  -0.002  -1.630  -3.437
  497    H    PHE  59           H        PHE  59   0.546   0.977  -6.262
  498    HA   PHE  59           HA       PHE  59   0.431   2.011  -3.714
  499    HB2  PHE  59           2HB      PHE  59   1.546   3.187  -6.255
  500    HB3  PHE  59           1HB      PHE  59   1.747   3.968  -4.691
  501    HD1  PHE  59           2HD      PHE  59   2.537   2.166  -2.802
  502    HD2  PHE  59           1HD      PHE  59   3.343   1.976  -6.977
  503    HE1  PHE  59           2HE      PHE  59   4.510   0.766  -2.354
  504    HE2  PHE  59           1HE      PHE  59   5.317   0.574  -6.536
  505    HZ   PHE  59           HZ       PHE  59   5.904  -0.032  -4.222
  506    H    ASP  60           H        ASP  60  -1.360   2.995  -6.539
  507    HA   ASP  60           HA       ASP  60  -2.178   5.539  -5.836
  508    HB2  ASP  60           2HB      ASP  60  -2.711   3.943  -7.920
  509    HB3  ASP  60           1HB      ASP  60  -4.225   3.755  -7.038
  510    H    ALA  61           H        ALA  61  -3.777   2.470  -5.064
  511    HA   ALA  61           HA       ALA  61  -5.777   3.674  -3.423
  512    HB1  ALA  61           1HB      ALA  61  -6.180   1.552  -4.532
  513    HB2  ALA  61           2HB      ALA  61  -6.334   1.370  -2.785
  514    HB3  ALA  61           3HB      ALA  61  -4.881   0.799  -3.606
  515    H    ILE  62           H        ILE  62  -2.515   2.701  -2.881
  516    HA   ILE  62           HA       ILE  62  -2.705   2.250  -0.073
  517    HB   ILE  62           HB       ILE  62  -0.266   3.007  -1.685
  518   HG12  ILE  62          2HG1      ILE  62  -1.354   0.282  -0.940
  519   HG13  ILE  62          1HG1      ILE  62  -1.353   0.981  -2.555
  520   HG21  ILE  62          1HG2      ILE  62   0.611   3.210   0.373
  521   HG22  ILE  62          2HG2      ILE  62   0.602   1.447   0.361
  522   HG23  ILE  62          3HG2      ILE  62  -0.714   2.330   1.134
  523   HD11  ILE  62          3HD1      ILE  62   0.673   0.190  -2.930
  524   HD12  ILE  62          1HD1      ILE  62   0.623  -0.600  -1.354
  525   HD13  ILE  62          2HD1      ILE  62   1.301   1.021  -1.507
  526    H    ARG  63           H        ARG  63  -2.225   5.081  -2.070
  527    HA   ARG  63           HA       ARG  63  -1.198   6.800  -0.085
  528    HB2  ARG  63           2HB      ARG  63  -2.036   7.001  -2.810
  529    HB3  ARG  63           1HB      ARG  63  -2.760   8.323  -1.903
  530    HG2  ARG  63           2HG      ARG  63  -0.673   9.174  -1.261
  531    HG3  ARG  63           1HG      ARG  63   0.164   7.686  -1.711
  532    HD2  ARG  63           2HD      ARG  63   0.494   9.569  -3.307
  533    HD3  ARG  63           1HD      ARG  63  -0.178   8.113  -4.036
  534    HE   ARG  63           HE       ARG  63  -1.555  10.650  -3.595
  535   HH11  ARG  63          1HH1      ARG  63  -1.705   7.340  -4.710
  536   HH12  ARG  63          2HH1      ARG  63  -3.165   7.581  -5.607
  537   HH21  ARG  63          1HH2      ARG  63  -3.471  10.962  -4.776
  538   HH22  ARG  63          2HH2      ARG  63  -4.167   9.634  -5.645
  539    HA   PRO  64           HA       PRO  64  -5.989   8.341   0.152
  540    HB2  PRO  64           2HB      PRO  64  -6.884   5.485  -0.077
  541    HB3  PRO  64           1HB      PRO  64  -7.760   6.967  -0.478
  542    HG2  PRO  64           2HG      PRO  64  -6.609   5.513  -2.386
  543    HG3  PRO  64           1HG      PRO  64  -6.589   7.284  -2.451
  544    HD2  PRO  64           2HD      PRO  64  -4.391   5.395  -1.861
  545    HD3  PRO  64           1HD      PRO  64  -4.321   7.037  -2.523
  546    H    LEU  65           H        LEU  65  -5.274   5.029   1.318
  547    HA   LEU  65           HA       LEU  65  -6.395   5.479   3.883
  548    HB2  LEU  65           2HB      LEU  65  -4.988   3.410   4.489
  549    HB3  LEU  65           1HB      LEU  65  -6.294   3.233   3.335
  550    HG   LEU  65           HG       LEU  65  -3.891   3.844   1.909
  551   HD11  LEU  65          1HD1      LEU  65  -2.307   2.435   2.671
  552   HD12  LEU  65          2HD1      LEU  65  -3.482   1.252   3.247
  553   HD13  LEU  65          3HD1      LEU  65  -3.131   2.689   4.209
  554   HD21  LEU  65          3HD2      LEU  65  -4.386   1.714   0.820
  555   HD22  LEU  65          1HD2      LEU  65  -5.842   2.692   1.001
  556   HD23  LEU  65          2HD2      LEU  65  -5.551   1.333   2.087
  557    H    ILE  66           H        ILE  66  -3.216   5.811   2.513
  558    HA   ILE  66           HA       ILE  66  -1.778   6.187   4.913
  559    HB   ILE  66           HB       ILE  66  -1.283   6.588   2.020
  560   HG12  ILE  66          2HG1      ILE  66   0.501   5.483   4.189
  561   HG13  ILE  66          1HG1      ILE  66  -0.728   4.527   3.366
  562   HG21  ILE  66          1HG2      ILE  66   0.327   8.019   4.117
  563   HG22  ILE  66          2HG2      ILE  66  -0.534   8.727   2.752
  564   HG23  ILE  66          3HG2      ILE  66   0.885   7.720   2.471
  565   HD11  ILE  66          3HD1      ILE  66   1.703   5.805   2.149
  566   HD12  ILE  66          1HD1      ILE  66   0.415   5.042   1.218
  567   HD13  ILE  66          2HD1      ILE  66   1.374   4.085   2.347
  568    HA   PRO  67           HA       PRO  67  -3.018  10.173   6.397
  569    HB2  PRO  67           2HB      PRO  67  -0.062  10.599   6.604
  570    HB3  PRO  67           1HB      PRO  67  -1.330  10.917   7.795
  571    HG2  PRO  67           2HG      PRO  67   0.206   8.762   8.016
  572    HG3  PRO  67           1HG      PRO  67  -1.527   8.677   8.378
  573    HD2  PRO  67           2HD      PRO  67  -0.033   7.652   6.018
  574    HD3  PRO  67           1HD      PRO  67  -1.494   7.013   6.795
  575    H    LEU  68           H        LEU  68  -3.036  12.358   5.790
  576    HA   LEU  68           HA       LEU  68  -2.889  12.942   3.102
  577    HB2  LEU  68           2HB      LEU  68  -2.357  15.384   4.447
  578    HB3  LEU  68           1HB      LEU  68  -3.866  14.822   3.764
  579    HG   LEU  68           HG       LEU  68  -4.318  13.673   5.969
  580   HD11  LEU  68          1HD1      LEU  68  -1.915  13.716   6.695
  581   HD12  LEU  68          2HD1      LEU  68  -3.069  14.288   7.897
  582   HD13  LEU  68          3HD1      LEU  68  -2.105  15.445   6.980
  583   HD21  LEU  68          3HD2      LEU  68  -5.043  15.722   7.062
  584   HD22  LEU  68          1HD2      LEU  68  -5.365  15.790   5.330
  585   HD23  LEU  68          2HD2      LEU  68  -3.996  16.670   6.008
  586    H    LYS  69           H        LYS  69  -0.673  14.540   5.385
  587    HA   LYS  69           HA       LYS  69   1.197  15.408   3.594
  588    HB2  LYS  69           2HB      LYS  69   2.841  15.315   5.473
  589    HB3  LYS  69           1HB      LYS  69   1.318  16.085   5.891
  590    HG2  LYS  69           2HG      LYS  69   0.889  13.451   6.562
  591    HG3  LYS  69           1HG      LYS  69   2.578  13.716   7.000
  592    HD2  LYS  69           2HD      LYS  69   1.905  15.702   8.294
  593    HD3  LYS  69           1HD      LYS  69   0.219  15.377   7.888
  594    HE2  LYS  69           2HE      LYS  69   0.370  13.212   9.023
  595    HE3  LYS  69           1HE      LYS  69   2.053  13.542   9.428
  596    HZ1  LYS  69           3HZ      LYS  69   1.476  14.958  11.062
  597    HZ2  LYS  69           1HZ      LYS  69   0.029  14.080  11.054
  598    HZ3  LYS  69           2HZ      LYS  69   0.126  15.559  10.241
  599    H    HIS  70           H        HIS  70   0.922  12.189   4.990
  600    HA   HIS  70           HA       HIS  70   3.386  11.181   4.059
  601    HB2  HIS  70           2HB      HIS  70   0.795   9.832   4.819
  602    HB3  HIS  70           1HB      HIS  70   2.224   8.928   4.326
  603    HD1  HIS  70           1HD      HIS  70   1.944   7.950   6.845
  604    HD2  HIS  70           2HD      HIS  70   3.204  11.893   6.494
  605    HE1  HIS  70           1HE      HIS  70   2.944   8.537   9.076
  606    HE2  HIS  70           2HE      HIS  70   3.792  10.894   8.806
  607    H    GLN  71           H        GLN  71   0.169  11.342   2.618
  608    HA   GLN  71           HA       GLN  71   0.631   9.710   0.390
  609    HB2  GLN  71           2HB      GLN  71  -1.233  12.019   0.881
  610    HB3  GLN  71           1HB      GLN  71  -1.177  11.211  -0.679
  611    HG2  GLN  71           2HG      GLN  71  -1.712   9.080   0.437
  612    HG3  GLN  71           1HG      GLN  71  -1.847   9.947   1.967
  613   HE21  GLN  71          1HE2      GLN  71  -3.666  11.071   2.421
  614   HE22  GLN  71          2HE2      GLN  71  -5.056  11.118   1.395
  615    H    VAL  72           H        VAL  72   1.076  13.188   0.838
  616    HA   VAL  72           HA       VAL  72   1.874  13.830  -1.762
  617    HB   VAL  72           HB       VAL  72   2.874  15.147   0.766
  618   HG11  VAL  72          1HG1      VAL  72   2.587  17.130  -1.025
  619   HG12  VAL  72          2HG1      VAL  72   2.989  15.800  -2.109
  620   HG13  VAL  72          3HG1      VAL  72   4.089  16.233  -0.800
  621   HG21  VAL  72          3HG2      VAL  72   0.626  16.400  -0.614
  622   HG22  VAL  72          1HG2      VAL  72   0.881  16.108   1.106
  623   HG23  VAL  72          2HG2      VAL  72   0.237  14.827   0.081
  624    H    GLU  73           H        GLU  73   3.896  13.099   1.087
  625    HA   GLU  73           HA       GLU  73   6.349  13.187  -0.295
  626    HB2  GLU  73           2HB      GLU  73   5.680  13.032   2.314
  627    HB3  GLU  73           1HB      GLU  73   6.123  11.355   2.025
  628    HG2  GLU  73           2HG      GLU  73   8.260  11.876   2.215
  629    HG3  GLU  73           1HG      GLU  73   8.119  12.993   0.858
  630    H    TYR  74           H        TYR  74   4.081  10.558   0.338
  631    HA   TYR  74           HA       TYR  74   5.627   8.399  -0.478
  632    HB2  TYR  74           2HB      TYR  74   3.195   8.479   0.461
  633    HB3  TYR  74           1HB      TYR  74   2.723   8.595  -1.231
  634    HD1  TYR  74           2HD      TYR  74   5.164   6.549   0.739
  635    HD2  TYR  74           1HD      TYR  74   2.017   6.597  -2.124
  636    HE1  TYR  74           2HE      TYR  74   5.316   4.103   0.538
  637    HE2  TYR  74           1HE      TYR  74   2.161   4.151  -2.333
  638    HH   TYR  74           HH       TYR  74   4.751   2.343  -1.001
  639    H    ASP  75           H        ASP  75   3.771  10.720  -2.353
  640    HA   ASP  75           HA       ASP  75   4.263   9.484  -4.880
  641    HB2  ASP  75           2HB      ASP  75   3.141  12.116  -3.985
  642    HB3  ASP  75           1HB      ASP  75   3.574  11.886  -5.679
  643    H    GLN  76           H        GLN  76   5.870  11.914  -2.922
  644    HA   GLN  76           HA       GLN  76   7.575  12.963  -4.903
  645    HB2  GLN  76           2HB      GLN  76   7.228  13.215  -2.071
  646    HB3  GLN  76           1HB      GLN  76   8.939  13.000  -2.416
  647    HG2  GLN  76           2HG      GLN  76   8.326  14.827  -4.281
  648    HG3  GLN  76           1HG      GLN  76   7.143  15.247  -3.043
  649   HE21  GLN  76          1HE2      GLN  76   7.990  15.596  -0.854
  650   HE22  GLN  76          2HE2      GLN  76   9.548  16.322  -0.681
  651    H    LEU  77           H        LEU  77   7.742  10.077  -2.942
  652    HA   LEU  77           HA       LEU  77  10.474   9.517  -3.758
  653    HB2  LEU  77           2HB      LEU  77   8.522   7.968  -2.056
  654    HB3  LEU  77           1HB      LEU  77  10.159   7.441  -2.403
  655    HG   LEU  77           HG       LEU  77   9.727  10.120  -1.150
  656   HD11  LEU  77          1HD1      LEU  77   8.389   8.365   0.093
  657   HD12  LEU  77          2HD1      LEU  77   9.605   9.237   1.029
  658   HD13  LEU  77          3HD1      LEU  77   9.932   7.597   0.468
  659   HD21  LEU  77          3HD2      LEU  77  11.888   8.070  -0.723
  660   HD22  LEU  77          1HD2      LEU  77  11.910   9.779  -0.288
  661   HD23  LEU  77          2HD2      LEU  77  11.955   9.300  -1.987
  662    H    THR  78           H        THR  78   7.207   8.463  -4.461
  663    HA   THR  78           HA       THR  78   8.153   6.346  -6.218
  664    HB   THR  78           HB       THR  78   5.673   5.983  -6.586
  665    HG1  THR  78           1HG      THR  78   4.259   7.147  -5.459
  666   HG21  THR  78          3HG2      THR  78   7.178   5.507  -4.160
  667   HG22  THR  78          1HG2      THR  78   6.075   4.448  -5.039
  668   HG23  THR  78          2HG2      THR  78   5.441   5.606  -3.871
  669    HA   PRO  79           HA       PRO  79   8.406   9.240  -9.656
  670    HB2  PRO  79           2HB      PRO  79   8.291   6.659 -11.145
  671    HB3  PRO  79           1HB      PRO  79   9.419   8.008 -11.318
  672    HG2  PRO  79           2HG      PRO  79  10.167   5.768 -10.093
  673    HG3  PRO  79           1HG      PRO  79  10.689   7.353  -9.489
  674    HD2  PRO  79           2HD      PRO  79   8.598   5.510  -8.422
  675    HD3  PRO  79           1HD      PRO  79   9.719   6.574  -7.549
  676    H    ARG  80           H        ARG  80   6.753  10.270 -10.574
  677    HA   ARG  80           HA       ARG  80   4.329   8.728 -11.234
  678    HB2  ARG  80           2HB      ARG  80   4.163  10.374  -9.301
  679    HB3  ARG  80           1HB      ARG  80   4.378  11.651 -10.492
  680    HG2  ARG  80           2HG      ARG  80   2.343  11.116 -11.570
  681    HG3  ARG  80           1HG      ARG  80   2.191   9.600 -10.679
  682    HD2  ARG  80           2HD      ARG  80   2.294  11.294  -8.617
  683    HD3  ARG  80           1HD      ARG  80   1.613  12.378  -9.829
  684    HE   ARG  80           HE       ARG  80   0.217   9.919  -9.814
  685   HH11  ARG  80          1HH1      ARG  80   0.610  12.852  -7.963
  686   HH12  ARG  80          2HH1      ARG  80  -0.976  12.774  -7.269
  687   HH21  ARG  80          1HH2      ARG  80  -1.868   9.816  -8.903
  688   HH22  ARG  80          2HH2      ARG  80  -2.382  11.050  -7.803
  Start of MODEL   17
    1    H1   MET   1           1HT      MET   1 -12.731   7.332   8.647
    2    H2   MET   1           2HT      MET   1 -11.650   8.146   9.704
    3    H3   MET   1           3HT      MET   1 -11.124   6.766   8.829
    4    HA   MET   1           HA       MET   1 -12.096   9.185   7.491
    5    HB2  MET   1           2HB      MET   1  -9.442   8.589   8.745
    6    HB3  MET   1           1HB      MET   1  -9.497   9.530   7.260
    7    HG2  MET   1           2HG      MET   1 -10.460  11.326   8.265
    8    HG3  MET   1           1HG      MET   1 -11.281  10.349   9.480
    9    HE1  MET   1           2HE      MET   1 -10.457  12.546  11.102
   10    HE2  MET   1           3HE      MET   1  -9.581  13.165   9.702
   11    HE3  MET   1           1HE      MET   1  -8.750  12.966  11.245
   12    H    ASP   2           H        ASP   2 -12.392   6.311   6.968
   13    HA   ASP   2           HA       ASP   2 -11.554   6.310   4.247
   14    HB2  ASP   2           2HB      ASP   2  -9.506   5.568   5.774
   15    HB3  ASP   2           1HB      ASP   2 -10.343   4.019   5.728
   16    H    ARG   3           H        ARG   3 -12.868   5.036   3.069
   17    HA   ARG   3           HA       ARG   3 -14.038   2.632   4.044
   18    HB2  ARG   3           2HB      ARG   3 -16.407   3.425   3.971
   19    HB3  ARG   3           1HB      ARG   3 -15.473   4.082   5.308
   20    HG2  ARG   3           2HG      ARG   3 -15.120   6.145   3.942
   21    HG3  ARG   3           1HG      ARG   3 -16.250   5.481   2.761
   22    HD2  ARG   3           2HD      ARG   3 -18.013   6.079   3.987
   23    HD3  ARG   3           1HD      ARG   3 -17.324   5.370   5.447
   24    HE   ARG   3           HE       ARG   3 -17.269   8.135   4.668
   25   HH11  ARG   3          1HH1      ARG   3 -15.694   5.671   6.571
   26   HH12  ARG   3          2HH1      ARG   3 -14.986   6.800   7.677
   27   HH21  ARG   3          1HH2      ARG   3 -16.340   9.622   6.121
   28   HH22  ARG   3          2HH2      ARG   3 -15.353   9.044   7.423
   29    H    LYS   4           H        LYS   4 -14.336   5.311   1.744
   30    HA   LYS   4           HA       LYS   4 -15.590   3.791  -0.296
   31    HB2  LYS   4           2HB      LYS   4 -15.204   6.430   0.081
   32    HB3  LYS   4           1HB      LYS   4 -13.913   6.109  -1.069
   33    HG2  LYS   4           2HG      LYS   4 -15.439   5.349  -2.711
   34    HG3  LYS   4           1HG      LYS   4 -16.766   5.297  -1.549
   35    HD2  LYS   4           2HD      LYS   4 -17.291   7.314  -2.393
   36    HD3  LYS   4           1HD      LYS   4 -15.989   7.896  -1.353
   37    HE2  LYS   4           2HE      LYS   4 -14.706   8.436  -3.100
   38    HE3  LYS   4           1HE      LYS   4 -15.013   6.895  -3.902
   39    HZ1  LYS   4           3HZ      LYS   4 -17.349   8.105  -4.262
   40    HZ2  LYS   4           1HZ      LYS   4 -16.068   8.221  -5.362
   41    HZ3  LYS   4           2HZ      LYS   4 -16.335   9.458  -4.242
   42    H    VAL   5           H        VAL   5 -12.232   4.955   0.030
   43    HA   VAL   5           HA       VAL   5 -11.303   3.412  -2.184
   44    HB   VAL   5           HB       VAL   5  -9.551   4.522   0.003
   45   HG11  VAL   5          1HG1      VAL   5  -8.267   4.935  -2.338
   46   HG12  VAL   5          2HG1      VAL   5  -9.168   3.465  -2.715
   47   HG13  VAL   5          3HG1      VAL   5  -8.064   3.496  -1.339
   48   HG21  VAL   5          3HG2      VAL   5  -9.502   6.460  -1.875
   49   HG22  VAL   5          1HG2      VAL   5 -10.535   6.503  -0.447
   50   HG23  VAL   5          2HG2      VAL   5 -11.186   5.951  -1.989
   51    H    ALA   6           H        ALA   6 -11.682   2.823   1.218
   52    HA   ALA   6           HA       ALA   6  -9.843   0.755   1.594
   53    HB1  ALA   6           1HB      ALA   6 -12.489   1.326   2.900
   54    HB2  ALA   6           2HB      ALA   6 -10.873   1.688   3.507
   55    HB3  ALA   6           3HB      ALA   6 -11.428   0.016   3.417
   56    H    ARG   7           H        ARG   7 -13.232   0.623   0.576
   57    HA   ARG   7           HA       ARG   7 -13.370  -2.181   0.319
   58    HB2  ARG   7           2HB      ARG   7 -15.097   0.043  -0.102
   59    HB3  ARG   7           1HB      ARG   7 -15.131  -0.947  -1.554
   60    HG2  ARG   7           2HG      ARG   7 -15.308  -2.757   0.560
   61    HG3  ARG   7           1HG      ARG   7 -16.353  -1.407   1.009
   62    HD2  ARG   7           2HD      ARG   7 -16.466  -2.663  -1.716
   63    HD3  ARG   7           1HD      ARG   7 -17.384  -3.311  -0.357
   64    HE   ARG   7           HE       ARG   7 -17.833  -0.525  -0.657
   65   HH11  ARG   7          1HH1      ARG   7 -18.668  -3.618  -2.036
   66   HH12  ARG   7          2HH1      ARG   7 -20.192  -3.073  -2.652
   67   HH21  ARG   7          1HH2      ARG   7 -19.836   0.196  -1.465
   68   HH22  ARG   7          2HH2      ARG   7 -20.855  -0.908  -2.329
   69    H    GLU   8           H        GLU   8 -12.975   0.348  -2.134
   70    HA   GLU   8           HA       GLU   8 -12.577  -1.349  -4.322
   71    HB2  GLU   8           2HB      GLU   8 -13.043   1.072  -4.511
   72    HB3  GLU   8           1HB      GLU   8 -11.436   1.419  -3.885
   73    HG2  GLU   8           2HG      GLU   8 -10.424   0.954  -5.840
   74    HG3  GLU   8           1HG      GLU   8 -11.541  -0.351  -6.234
   75    H    PHE   9           H        PHE   9 -10.403  -0.207  -1.838
   76    HA   PHE   9           HA       PHE   9  -7.950  -0.831  -3.038
   77    HB2  PHE   9           2HB      PHE   9  -8.075   0.505  -1.008
   78    HB3  PHE   9           1HB      PHE   9  -8.741  -0.859  -0.117
   79    HD1  PHE   9           2HD      PHE   9  -7.276  -2.943   0.110
   80    HD2  PHE   9           1HD      PHE   9  -5.784   0.855  -1.089
   81    HE1  PHE   9           2HE      PHE   9  -5.002  -3.644   0.737
   82    HE2  PHE   9           1HE      PHE   9  -3.506   0.164  -0.466
   83    HZ   PHE   9           HZ       PHE   9  -3.113  -2.090   0.449
   84    H    ARG  10           H        ARG  10  -9.940  -2.770  -0.806
   85    HA   ARG  10           HA       ARG  10  -8.358  -5.065  -0.805
   86    HB2  ARG  10           2HB      ARG  10 -11.116  -4.379  -0.068
   87    HB3  ARG  10           1HB      ARG  10 -10.903  -6.059  -0.538
   88    HG2  ARG  10           2HG      ARG  10  -9.047  -6.216   1.115
   89    HG3  ARG  10           1HG      ARG  10  -9.463  -4.588   1.655
   90    HD2  ARG  10           2HD      ARG  10 -11.867  -5.618   1.873
   91    HD3  ARG  10           1HD      ARG  10 -10.980  -7.139   1.955
   92    HE   ARG  10           HE       ARG  10 -11.105  -5.088   3.969
   93   HH11  ARG  10          1HH1      ARG  10  -9.261  -7.781   2.731
   94   HH12  ARG  10          2HH1      ARG  10  -8.475  -8.100   4.241
   95   HH21  ARG  10          1HH2      ARG  10 -10.073  -5.506   5.956
   96   HH22  ARG  10          2HH2      ARG  10  -8.936  -6.807   6.072
   97    H    HIS  11           H        HIS  11 -11.009  -4.120  -2.956
   98    HA   HIS  11           HA       HIS  11 -11.052  -6.524  -4.452
   99    HB2  HIS  11           2HB      HIS  11 -12.171  -3.785  -4.777
  100    HB3  HIS  11           1HB      HIS  11 -12.080  -4.800  -6.213
  101    HD1  HIS  11           1HD      HIS  11 -12.979  -7.471  -5.316
  102    HD2  HIS  11           2HD      HIS  11 -14.691  -3.982  -3.844
  103    HE1  HIS  11           1HE      HIS  11 -15.249  -8.143  -4.466
  104    HE2  HIS  11           2HE      HIS  11 -16.235  -6.030  -3.510
  105    H    LYS  12           H        LYS  12  -9.385  -3.437  -4.910
  106    HA   LYS  12           HA       LYS  12  -8.312  -3.953  -7.448
  107    HB2  LYS  12           2HB      LYS  12  -8.235  -1.866  -5.618
  108    HB3  LYS  12           1HB      LYS  12  -6.558  -2.376  -5.735
  109    HG2  LYS  12           2HG      LYS  12  -7.361  -2.302  -8.359
  110    HG3  LYS  12           1HG      LYS  12  -8.214  -0.936  -7.638
  111    HD2  LYS  12           2HD      LYS  12  -5.886  -0.427  -6.564
  112    HD3  LYS  12           1HD      LYS  12  -5.278  -1.427  -7.884
  113    HE2  LYS  12           2HE      LYS  12  -6.009   0.053  -9.513
  114    HE3  LYS  12           1HE      LYS  12  -7.195   0.799  -8.442
  115    HZ1  LYS  12           3HZ      LYS  12  -5.532   2.373  -8.561
  116    HZ2  LYS  12           1HZ      LYS  12  -4.283   1.232  -8.567
  117    HZ3  LYS  12           2HZ      LYS  12  -5.126   1.554  -7.137
  118    H    VAL  13           H        VAL  13  -6.686  -4.171  -4.279
  119    HA   VAL  13           HA       VAL  13  -4.301  -5.278  -5.119
  120    HB   VAL  13           HB       VAL  13  -5.694  -5.971  -2.532
  121   HG11  VAL  13          1HG1      VAL  13  -2.778  -5.600  -2.637
  122   HG12  VAL  13          2HG1      VAL  13  -3.393  -7.007  -3.503
  123   HG13  VAL  13          3HG1      VAL  13  -3.741  -6.806  -1.785
  124   HG21  VAL  13          3HG2      VAL  13  -3.744  -3.856  -2.341
  125   HG22  VAL  13          1HG2      VAL  13  -5.425  -3.884  -1.812
  126   HG23  VAL  13          2HG2      VAL  13  -5.029  -3.425  -3.468
  127    H    ASP  14           H        ASP  14  -7.300  -6.958  -4.234
  128    HA   ASP  14           HA       ASP  14  -6.301  -9.576  -4.462
  129    HB2  ASP  14           2HB      ASP  14  -8.992  -8.320  -4.394
  130    HB3  ASP  14           1HB      ASP  14  -8.894  -9.954  -5.044
  131    H    PHE  15           H        PHE  15  -7.821  -7.424  -6.821
  132    HA   PHE  15           HA       PHE  15  -7.930  -9.328  -8.921
  133    HB2  PHE  15           2HB      PHE  15  -8.947  -6.813  -8.533
  134    HB3  PHE  15           1HB      PHE  15  -7.693  -6.513  -9.731
  135    HD1  PHE  15           1HD      PHE  15 -10.724  -8.515  -9.032
  136    HD2  PHE  15           2HD      PHE  15  -8.005  -7.095 -11.982
  137    HE1  PHE  15           1HE      PHE  15 -12.233  -9.316 -10.802
  138    HE2  PHE  15           2HE      PHE  15  -9.510  -7.893 -13.759
  139    HZ   PHE  15           HZ       PHE  15 -11.627  -9.005 -13.168
  140    H    LEU  16           H        LEU  16  -5.678  -6.653  -8.251
  141    HA   LEU  16           HA       LEU  16  -3.971  -7.192 -10.436
  142    HB2  LEU  16           2HB      LEU  16  -3.111  -5.863  -7.881
  143    HB3  LEU  16           1HB      LEU  16  -2.490  -5.602  -9.500
  144    HG   LEU  16           HG       LEU  16  -5.338  -4.986  -9.258
  145   HD11  LEU  16          1HD1      LEU  16  -3.997  -4.311  -7.014
  146   HD12  LEU  16          2HD1      LEU  16  -5.354  -3.396  -7.670
  147   HD13  LEU  16          3HD1      LEU  16  -3.701  -2.886  -8.010
  148   HD21  LEU  16          3HD2      LEU  16  -3.382  -4.413 -11.010
  149   HD22  LEU  16          1HD2      LEU  16  -3.343  -2.953 -10.020
  150   HD23  LEU  16          2HD2      LEU  16  -4.840  -3.435 -10.820
  151    H    ILE  17           H        ILE  17  -3.253  -7.617  -6.983
  152    HA   ILE  17           HA       ILE  17  -1.081  -9.380  -7.490
  153    HB   ILE  17           HB       ILE  17  -2.540  -9.008  -4.878
  154   HG12  ILE  17          2HG1      ILE  17  -0.226  -7.438  -6.034
  155   HG13  ILE  17          1HG1      ILE  17  -1.860  -6.835  -5.778
  156   HG21  ILE  17          1HG2      ILE  17  -0.580 -10.802  -5.530
  157   HG22  ILE  17          2HG2      ILE  17  -0.925 -10.211  -3.905
  158   HG23  ILE  17          3HG2      ILE  17   0.345  -9.456  -4.866
  159   HD11  ILE  17          3HD1      ILE  17  -0.736  -5.993  -3.963
  160   HD12  ILE  17          1HD1      ILE  17   0.273  -7.427  -3.785
  161   HD13  ILE  17          2HD1      ILE  17  -1.422  -7.477  -3.303
  162    H    GLU  18           H        GLU  18  -3.996 -10.056  -5.585
  163    HA   GLU  18           HA       GLU  18  -5.391 -11.861  -5.516
  164    HB2  GLU  18           2HB      GLU  18  -4.833 -11.742  -8.135
  165    HB3  GLU  18           1HB      GLU  18  -4.077 -13.285  -7.764
  166    HG2  GLU  18           2HG      GLU  18  -6.558 -13.402  -6.518
  167    HG3  GLU  18           1HG      GLU  18  -6.866 -12.623  -8.071
  168    H    ASN  19           H        ASN  19  -2.175 -11.892  -4.944
  169    HA   ASN  19           HA       ASN  19  -2.015 -14.741  -4.325
  170    HB2  ASN  19           2HB      ASN  19  -0.143 -12.928  -5.307
  171    HB3  ASN  19           1HB      ASN  19   0.336 -13.174  -3.630
  172   HD21  ASN  19          1HD2      ASN  19   1.671 -14.783  -3.295
  173   HD22  ASN  19          2HD2      ASN  19   1.843 -16.192  -4.280
  174    H    ASP  20           H        ASP  20  -2.378 -15.470  -2.344
  175    HA   ASP  20           HA       ASP  20  -3.161 -13.826  -0.215
  176    HB2  ASP  20           2HB      ASP  20  -2.302 -16.713  -0.341
  177    HB3  ASP  20           1HB      ASP  20  -2.794 -15.954   1.170
  178    H    ALA  21           H        ALA  21  -0.062 -15.307  -0.990
  179    HA   ALA  21           HA       ALA  21   1.251 -14.613   1.418
  180    HB1  ALA  21           1HB      ALA  21   2.469 -16.209   0.371
  181    HB2  ALA  21           2HB      ALA  21   3.306 -14.802  -0.284
  182    HB3  ALA  21           3HB      ALA  21   2.067 -15.613  -1.240
  183    H    GLU  22           H        GLU  22   1.133 -13.073  -1.766
  184    HA   GLU  22           HA       GLU  22   2.844 -10.927  -1.181
  185    HB2  GLU  22           2HB      GLU  22   0.624 -11.259  -3.190
  186    HB3  GLU  22           1HB      GLU  22   1.584  -9.789  -3.093
  187    HG2  GLU  22           2HG      GLU  22   2.978 -12.407  -3.332
  188    HG3  GLU  22           1HG      GLU  22   2.211 -11.706  -4.757
  189    H    LYS  23           H        LYS  23  -0.624 -11.349  -0.767
  190    HA   LYS  23           HA       LYS  23  -1.224  -8.681  -0.059
  191    HB2  LYS  23           2HB      LYS  23  -2.594 -11.318   0.356
  192    HB3  LYS  23           1HB      LYS  23  -3.217  -9.873   1.138
  193    HG2  LYS  23           2HG      LYS  23  -3.477  -8.795  -1.028
  194    HG3  LYS  23           1HG      LYS  23  -2.819 -10.226  -1.827
  195    HD2  LYS  23           2HD      LYS  23  -5.047 -10.802  -0.023
  196    HD3  LYS  23           1HD      LYS  23  -5.478  -9.738  -1.364
  197    HE2  LYS  23           2HE      LYS  23  -5.139 -11.349  -2.929
  198    HE3  LYS  23           1HE      LYS  23  -3.844 -12.118  -2.014
  199    HZ1  LYS  23           3HZ      LYS  23  -5.734 -12.799  -0.433
  200    HZ2  LYS  23           1HZ      LYS  23  -5.555 -13.641  -1.890
  201    HZ3  LYS  23           2HZ      LYS  23  -6.757 -12.462  -1.737
  202    H    ASP  24           H        ASP  24  -0.078 -11.444   1.769
  203    HA   ASP  24           HA       ASP  24  -0.489 -10.271   4.341
  204    HB2  ASP  24           2HB      ASP  24   0.835 -12.707   3.275
  205    HB3  ASP  24           1HB      ASP  24   1.401 -12.123   4.837
  206    H    TYR  25           H        TYR  25   2.071 -10.262   1.974
  207    HA   TYR  25           HA       TYR  25   4.121  -9.254   3.661
  208    HB2  TYR  25           2HB      TYR  25   4.261 -10.358   1.292
  209    HB3  TYR  25           1HB      TYR  25   4.035  -8.711   0.711
  210    HD1  TYR  25           2HD      TYR  25   5.621  -6.998   2.231
  211    HD2  TYR  25           1HD      TYR  25   6.449 -11.048   1.224
  212    HE1  TYR  25           2HE      TYR  25   8.026  -6.569   2.509
  213    HE2  TYR  25           1HE      TYR  25   8.857 -10.630   1.499
  214    HH   TYR  25           HH       TYR  25  10.329  -8.167   1.318
  215    H    LEU  26           H        LEU  26   1.906  -7.700   1.354
  216    HA   LEU  26           HA       LEU  26   2.844  -5.072   1.795
  217    HB2  LEU  26           2HB      LEU  26   1.085  -4.351   0.453
  218    HB3  LEU  26           1HB      LEU  26   1.420  -5.966  -0.139
  219    HG   LEU  26           HG       LEU  26  -0.501  -6.604   1.580
  220   HD11  LEU  26          1HD1      LEU  26  -1.248  -4.705   2.549
  221   HD12  LEU  26          2HD1      LEU  26  -2.222  -4.618   1.080
  222   HD13  LEU  26          3HD1      LEU  26  -0.729  -3.686   1.207
  223   HD21  LEU  26          3HD2      LEU  26  -1.143  -5.369  -1.089
  224   HD22  LEU  26          1HD2      LEU  26  -2.024  -6.649  -0.253
  225   HD23  LEU  26          2HD2      LEU  26  -0.410  -6.962  -0.895
  226    H    TYR  27           H        TYR  27   0.348  -7.019   3.320
  227    HA   TYR  27           HA       TYR  27  -0.786  -4.929   4.870
  228    HB2  TYR  27           2HB      TYR  27  -1.086  -7.822   4.626
  229    HB3  TYR  27           1HB      TYR  27  -1.245  -7.270   6.290
  230    HD1  TYR  27           2HD      TYR  27  -2.863  -5.261   6.673
  231    HD2  TYR  27           1HD      TYR  27  -2.922  -7.728   3.208
  232    HE1  TYR  27           2HE      TYR  27  -5.177  -4.564   6.223
  233    HE2  TYR  27           1HE      TYR  27  -5.236  -7.037   2.748
  234    HH   TYR  27           HH       TYR  27  -7.144  -6.120   3.877
  235    H    ASP  28           H        ASP  28   1.877  -7.154   5.343
  236    HA   ASP  28           HA       ASP  28   2.258  -6.636   8.112
  237    HB2  ASP  28           2HB      ASP  28   3.160  -8.598   6.696
  238    HB3  ASP  28           1HB      ASP  28   4.449  -7.491   6.232
  239    H    VAL  29           H        VAL  29   3.594  -5.257   5.149
  240    HA   VAL  29           HA       VAL  29   5.541  -3.612   6.330
  241    HB   VAL  29           HB       VAL  29   4.001  -2.978   3.811
  242   HG11  VAL  29          1HG1      VAL  29   5.810  -1.441   5.088
  243   HG12  VAL  29          2HG1      VAL  29   5.579  -1.438   3.340
  244   HG13  VAL  29          3HG1      VAL  29   6.878  -2.393   4.057
  245   HG21  VAL  29          3HG2      VAL  29   4.801  -4.864   2.940
  246   HG22  VAL  29          1HG2      VAL  29   5.745  -5.204   4.391
  247   HG23  VAL  29          2HG2      VAL  29   6.419  -4.187   3.117
  248    H    LEU  30           H        LEU  30   2.189  -2.904   5.364
  249    HA   LEU  30           HA       LEU  30   2.155  -0.228   6.199
  250    HB2  LEU  30           2HB      LEU  30   0.058  -2.298   5.703
  251    HB3  LEU  30           1HB      LEU  30  -0.402  -0.792   6.473
  252    HG   LEU  30           HG       LEU  30   1.182  -0.564   3.978
  253   HD11  LEU  30          1HD1      LEU  30  -0.758  -0.909   2.560
  254   HD12  LEU  30          2HD1      LEU  30  -1.722  -1.378   3.961
  255   HD13  LEU  30          3HD1      LEU  30  -0.370  -2.385   3.444
  256   HD21  LEU  30          3HD2      LEU  30   0.226   1.475   3.863
  257   HD22  LEU  30          1HD2      LEU  30  -0.053   1.206   5.584
  258   HD23  LEU  30          2HD2      LEU  30  -1.343   0.893   4.423
  259    H    ARG  31           H        ARG  31   1.515  -3.230   7.925
  260    HA   ARG  31           HA       ARG  31   0.421  -2.206  10.268
  261    HB2  ARG  31           2HB      ARG  31   1.538  -4.703   9.382
  262    HB3  ARG  31           1HB      ARG  31   2.081  -4.360  11.019
  263    HG2  ARG  31           2HG      ARG  31  -0.811  -4.126  10.289
  264    HG3  ARG  31           1HG      ARG  31  -0.094  -5.691  10.678
  265    HD2  ARG  31           2HD      ARG  31   0.267  -3.345  12.503
  266    HD3  ARG  31           1HD      ARG  31  -1.205  -4.313  12.564
  267    HE   ARG  31           HE       ARG  31   1.092  -5.968  12.682
  268   HH11  ARG  31          1HH1      ARG  31  -0.820  -3.775  14.609
  269   HH12  ARG  31          2HH1      ARG  31  -0.390  -4.524  16.111
  270   HH21  ARG  31          1HH2      ARG  31   1.656  -6.954  14.656
  271   HH22  ARG  31          2HH2      ARG  31   1.016  -6.328  16.138
  272    H    MET  32           H        MET  32   3.803  -3.194   9.831
  273    HA   MET  32           HA       MET  32   4.755  -1.973  12.169
  274    HB2  MET  32           2HB      MET  32   5.980  -3.086   9.703
  275    HB3  MET  32           1HB      MET  32   6.979  -2.003  10.665
  276    HG2  MET  32           2HG      MET  32   6.008  -3.629  12.591
  277    HG3  MET  32           1HG      MET  32   6.070  -4.738  11.223
  278    HE1  MET  32           3HE      MET  32   8.911  -2.966  13.904
  279    HE2  MET  32           1HE      MET  32   8.871  -4.721  14.067
  280    HE3  MET  32           2HE      MET  32   7.368  -3.798  14.081
  281    H    TYR  33           H        TYR  33   4.218  -0.749   8.946
  282    HA   TYR  33           HA       TYR  33   5.748   1.593   9.062
  283    HB2  TYR  33           2HB      TYR  33   4.845   0.872   6.958
  284    HB3  TYR  33           1HB      TYR  33   3.199   0.945   7.574
  285    HD1  TYR  33           2HD      TYR  33   6.047   3.373   7.610
  286    HD2  TYR  33           1HD      TYR  33   2.020   2.594   6.479
  287    HE1  TYR  33           2HE      TYR  33   5.841   5.678   6.774
  288    HE2  TYR  33           1HE      TYR  33   1.803   4.894   5.640
  289    HH   TYR  33           HH       TYR  33   3.303   6.701   4.811
  290    H    HIS  34           H        HIS  34   2.564   0.829  10.312
  291    HA   HIS  34           HA       HIS  34   1.854   3.518  10.955
  292    HB2  HIS  34           2HB      HIS  34   0.608   0.954  11.037
  293    HB3  HIS  34           1HB      HIS  34   0.458   1.683  12.632
  294    HD1  HIS  34           1HD      HIS  34  -2.126   1.882  12.161
  295    HD2  HIS  34           2HD      HIS  34   0.301   4.157   9.671
  296    HE1  HIS  34           1HE      HIS  34  -3.663   3.531  11.047
  297    HE2  HIS  34           2HE      HIS  34  -2.158   4.954   9.612
  298    H    GLN  35           H        GLN  35   3.317   0.838  12.725
  299    HA   GLN  35           HA       GLN  35   3.339   2.202  15.238
  300    HB2  GLN  35           2HB      GLN  35   5.039  -0.150  14.414
  301    HB3  GLN  35           1HB      GLN  35   4.625   0.341  16.050
  302    HG2  GLN  35           2HG      GLN  35   2.557  -0.501  14.044
  303    HG3  GLN  35           1HG      GLN  35   3.383  -1.645  15.101
  304   HE21  GLN  35          1HE2      GLN  35   3.495  -0.499  17.469
  305   HE22  GLN  35          2HE2      GLN  35   1.925  -0.111  18.075
  306    H    THR  36           H        THR  36   5.767   1.537  12.754
  307    HA   THR  36           HA       THR  36   7.823   2.989  14.142
  308    HB   THR  36           HB       THR  36   9.169   2.578  12.125
  309    HG1  THR  36           1HG      THR  36   6.855   1.337  11.066
  310   HG21  THR  36          3HG2      THR  36   7.802   0.420  13.549
  311   HG22  THR  36          1HG2      THR  36   9.518   0.673  13.235
  312   HG23  THR  36          2HG2      THR  36   8.489  -0.037  11.991
  313    H    MET  37           H        MET  37   5.617   3.612  11.469
  314    HA   MET  37           HA       MET  37   5.009   5.523  10.401
  315    HB2  MET  37           2HB      MET  37   5.979   6.492  13.037
  316    HB3  MET  37           1HB      MET  37   5.774   7.694  11.771
  317    HG2  MET  37           2HG      MET  37   3.595   5.760  12.469
  318    HG3  MET  37           1HG      MET  37   3.818   7.270  13.351
  319    HE1  MET  37           3HE      MET  37   1.480   6.635   9.656
  320    HE2  MET  37           1HE      MET  37   1.071   6.341  11.346
  321    HE3  MET  37           2HE      MET  37   2.377   5.433  10.584
  322    H    ASP  38           H        ASP  38   7.088   4.447   9.232
  323    HA   ASP  38           HA       ASP  38   8.866   6.718   8.640
  324    HB2  ASP  38           2HB      ASP  38   9.737   4.460   9.878
  325    HB3  ASP  38           1HB      ASP  38   9.979   4.021   8.190
  326    H    VAL  39           H        VAL  39   7.942   7.396   6.772
  327    HA   VAL  39           HA       VAL  39   6.781   5.779   4.806
  328    HB   VAL  39           HB       VAL  39   8.101   8.447   4.311
  329   HG11  VAL  39          1HG1      VAL  39   7.488   7.540   2.247
  330   HG12  VAL  39          2HG1      VAL  39   6.134   8.588   2.673
  331   HG13  VAL  39          3HG1      VAL  39   6.001   6.844   2.891
  332   HG21  VAL  39          3HG2      VAL  39   5.681   7.739   5.833
  333   HG22  VAL  39          1HG2      VAL  39   5.493   9.048   4.668
  334   HG23  VAL  39          2HG2      VAL  39   6.713   9.167   5.937
  335    H    ALA  40           H        ALA  40  10.102   6.702   5.363
  336    HA   ALA  40           HA       ALA  40  11.144   6.049   2.825
  337    HB1  ALA  40           1HB      ALA  40  12.741   5.731   5.334
  338    HB2  ALA  40           2HB      ALA  40  12.229   7.331   4.797
  339    HB3  ALA  40           3HB      ALA  40  13.246   6.335   3.756
  340    H    VAL  41           H        VAL  41  10.629   4.142   5.751
  341    HA   VAL  41           HA       VAL  41  11.911   1.794   4.751
  342    HB   VAL  41           HB       VAL  41   9.879   1.957   6.977
  343   HG11  VAL  41          1HG1      VAL  41  12.131  -0.003   6.568
  344   HG12  VAL  41          2HG1      VAL  41  10.463  -0.300   6.074
  345   HG13  VAL  41          3HG1      VAL  41  10.851  -0.072   7.779
  346   HG21  VAL  41          3HG2      VAL  41  12.876   2.241   7.171
  347   HG22  VAL  41          1HG2      VAL  41  11.727   2.272   8.506
  348   HG23  VAL  41          2HG2      VAL  41  11.721   3.566   7.311
  349    H    LEU  42           H        LEU  42   8.609   2.994   4.818
  350    HA   LEU  42           HA       LEU  42   7.333   0.614   4.004
  351    HB2  LEU  42           2HB      LEU  42   6.162   2.537   5.012
  352    HB3  LEU  42           1HB      LEU  42   6.467   3.470   3.559
  353    HG   LEU  42           HG       LEU  42   5.191   1.476   2.394
  354   HD11  LEU  42          1HD1      LEU  42   5.070   0.515   4.901
  355   HD12  LEU  42          2HD1      LEU  42   3.859   0.173   3.664
  356   HD13  LEU  42          3HD1      LEU  42   3.570   1.442   4.856
  357   HD21  LEU  42          3HD2      LEU  42   4.598   4.040   2.972
  358   HD22  LEU  42          1HD2      LEU  42   3.321   3.212   3.864
  359   HD23  LEU  42          2HD2      LEU  42   3.502   2.943   2.130
  360    H    VAL  43           H        VAL  43   8.363   3.464   2.128
  361    HA   VAL  43           HA       VAL  43   7.538   2.592  -0.376
  362    HB   VAL  43           HB       VAL  43   8.617   4.861   0.439
  363   HG11  VAL  43          1HG1      VAL  43  10.853   3.943   0.827
  364   HG12  VAL  43          2HG1      VAL  43  10.865   5.212  -0.395
  365   HG13  VAL  43          3HG1      VAL  43  10.970   3.521  -0.881
  366   HG21  VAL  43          3HG2      VAL  43   9.207   5.258  -2.072
  367   HG22  VAL  43          1HG2      VAL  43   7.542   4.930  -1.590
  368   HG23  VAL  43          2HG2      VAL  43   8.532   3.642  -2.279
  369    H    GLY  44           H        GLY  44  10.614   2.049   1.284
  370    HA2  GLY  44           2HA      GLY  44  11.972   0.726  -0.768
  371    HA3  GLY  44           1HA      GLY  44  12.269   0.492   0.948
  372    H    ASP  45           H        ASP  45  10.266  -0.800   1.974
  373    HA   ASP  45           HA       ASP  45  10.476  -3.420   0.990
  374    HB2  ASP  45           2HB      ASP  45   8.860  -2.052   3.075
  375    HB3  ASP  45           1HB      ASP  45   8.273  -3.616   2.517
  376    H    LEU  46           H        LEU  46   7.926  -0.993   0.642
  377    HA   LEU  46           HA       LEU  46   5.996  -2.546  -0.619
  378    HB2  LEU  46           2HB      LEU  46   6.671   0.362  -0.651
  379    HB3  LEU  46           1HB      LEU  46   5.474  -0.242  -1.781
  380    HG   LEU  46           HG       LEU  46   5.336  -0.382   1.230
  381   HD11  LEU  46          1HD1      LEU  46   3.554   1.049  -0.730
  382   HD12  LEU  46          2HD1      LEU  46   4.869   1.817   0.157
  383   HD13  LEU  46          3HD1      LEU  46   3.498   1.133   1.031
  384   HD21  LEU  46          3HD2      LEU  46   4.183  -2.277   0.787
  385   HD22  LEU  46          1HD2      LEU  46   3.860  -1.820  -0.885
  386   HD23  LEU  46          2HD2      LEU  46   2.893  -1.131   0.418
  387    H    LYS  47           H        LYS  47   8.896  -1.058  -1.901
  388    HA   LYS  47           HA       LYS  47   8.227  -1.475  -4.650
  389    HB2  LYS  47           2HB      LYS  47  10.627  -0.586  -3.134
  390    HB3  LYS  47           1HB      LYS  47  10.886  -1.220  -4.753
  391    HG2  LYS  47           2HG      LYS  47   8.754   0.805  -4.423
  392    HG3  LYS  47           1HG      LYS  47  10.426   1.350  -4.276
  393    HD2  LYS  47           2HD      LYS  47  10.200  -0.393  -6.533
  394    HD3  LYS  47           1HD      LYS  47   8.951   0.850  -6.634
  395    HE2  LYS  47           2HE      LYS  47  10.878   2.481  -6.057
  396    HE3  LYS  47           1HE      LYS  47  11.928   1.159  -6.561
  397    HZ1  LYS  47           3HZ      LYS  47   9.874   2.540  -8.195
  398    HZ2  LYS  47           1HZ      LYS  47  10.670   1.130  -8.690
  399    HZ3  LYS  47           2HZ      LYS  47  11.548   2.553  -8.430
  400    H    LEU  48           H        LEU  48  10.421  -3.109  -2.375
  401    HA   LEU  48           HA       LEU  48  11.434  -5.076  -4.006
  402    HB2  LEU  48           2HB      LEU  48  10.614  -5.436  -1.126
  403    HB3  LEU  48           1HB      LEU  48  11.784  -6.406  -1.999
  404    HG   LEU  48           HG       LEU  48  12.169  -3.452  -1.567
  405   HD11  LEU  48          1HD1      LEU  48  11.905  -5.004   0.546
  406   HD12  LEU  48          2HD1      LEU  48  13.161  -3.770   0.463
  407   HD13  LEU  48          3HD1      LEU  48  13.558  -5.457   0.132
  408   HD21  LEU  48          3HD2      LEU  48  13.691  -4.052  -3.160
  409   HD22  LEU  48          1HD2      LEU  48  13.789  -5.721  -2.598
  410   HD23  LEU  48          2HD2      LEU  48  14.613  -4.438  -1.707
  411    H    VAL  49           H        VAL  49   8.307  -5.008  -2.374
  412    HA   VAL  49           HA       VAL  49   7.651  -7.654  -3.398
  413    HB   VAL  49           HB       VAL  49   7.039  -6.679  -1.052
  414   HG11  VAL  49          1HG1      VAL  49   4.691  -5.719  -2.674
  415   HG12  VAL  49          2HG1      VAL  49   5.862  -4.702  -1.833
  416   HG13  VAL  49          3HG1      VAL  49   4.790  -5.757  -0.913
  417   HG21  VAL  49          3HG2      VAL  49   5.337  -8.299  -0.837
  418   HG22  VAL  49          1HG2      VAL  49   6.430  -8.906  -2.079
  419   HG23  VAL  49          2HG2      VAL  49   4.895  -8.169  -2.539
  420    H    ILE  50           H        ILE  50   6.449  -4.328  -3.682
  421    HA   ILE  50           HA       ILE  50   4.650  -5.118  -5.835
  422    HB   ILE  50           HB       ILE  50   5.096  -2.297  -4.881
  423   HG12  ILE  50          2HG1      ILE  50   3.228  -4.384  -3.729
  424   HG13  ILE  50          1HG1      ILE  50   4.592  -3.636  -2.906
  425   HG21  ILE  50          1HG2      ILE  50   3.829  -2.315  -6.857
  426   HG22  ILE  50          2HG2      ILE  50   2.640  -2.180  -5.565
  427   HG23  ILE  50          3HG2      ILE  50   2.910  -3.733  -6.355
  428   HD11  ILE  50          3HD1      ILE  50   2.530  -2.664  -2.144
  429   HD12  ILE  50          1HD1      ILE  50   2.072  -2.262  -3.799
  430   HD13  ILE  50          2HD1      ILE  50   3.454  -1.463  -3.047
  431    H    ASN  51           H        ASN  51   7.649  -5.143  -6.131
  432    HA   ASN  51           HA       ASN  51   8.556  -3.053  -7.731
  433    HB2  ASN  51           2HB      ASN  51  10.252  -4.630  -8.553
  434    HB3  ASN  51           1HB      ASN  51  10.046  -4.775  -6.811
  435   HD21  ASN  51          1HD2      ASN  51   9.610  -6.709  -5.982
  436   HD22  ASN  51          2HD2      ASN  51   9.212  -8.119  -6.896
  437    H    GLU  52           H        GLU  52   6.869  -6.029  -8.630
  438    HA   GLU  52           HA       GLU  52   7.007  -6.049 -11.331
  439    HB2  GLU  52           2HB      GLU  52   4.738  -6.689  -9.476
  440    HB3  GLU  52           1HB      GLU  52   4.544  -6.855 -11.216
  441    HG2  GLU  52           2HG      GLU  52   6.883  -8.175 -10.805
  442    HG3  GLU  52           1HG      GLU  52   6.012  -8.523  -9.313
  443    HA   PRO  53           HA       PRO  53   5.709  -1.946 -12.626
  444    HB2  PRO  53           2HB      PRO  53   5.135  -3.587 -15.063
  445    HB3  PRO  53           1HB      PRO  53   5.946  -2.022 -14.929
  446    HG2  PRO  53           2HG      PRO  53   7.346  -4.266 -15.275
  447    HG3  PRO  53           1HG      PRO  53   7.941  -2.965 -14.231
  448    HD2  PRO  53           2HD      PRO  53   6.825  -5.613 -13.495
  449    HD3  PRO  53           1HD      PRO  53   7.983  -4.592 -12.622
  450    H    SER  54           H        SER  54   3.803  -4.778 -13.688
  451    HA   SER  54           HA       SER  54   1.377  -3.426 -14.028
  452    HB2  SER  54           2HB      SER  54   1.312  -6.256 -13.099
  453    HB3  SER  54           1HB      SER  54   0.459  -5.492 -14.439
  454    HG   SER  54           HG       SER  54   2.923  -6.712 -14.382
  455    H    ARG  55           H        ARG  55   3.027  -4.355 -11.174
  456    HA   ARG  55           HA       ARG  55   0.669  -4.340  -9.490
  457    HB2  ARG  55           2HB      ARG  55   3.112  -5.561  -9.299
  458    HB3  ARG  55           1HB      ARG  55   3.308  -4.205  -8.199
  459    HG2  ARG  55           2HG      ARG  55   1.353  -4.905  -6.945
  460    HG3  ARG  55           1HG      ARG  55   1.080  -6.228  -8.081
  461    HD2  ARG  55           2HD      ARG  55   3.712  -6.564  -7.304
  462    HD3  ARG  55           1HD      ARG  55   2.905  -6.051  -5.822
  463    HE   ARG  55           HE       ARG  55   1.937  -8.106  -5.724
  464   HH11  ARG  55          1HH1      ARG  55   2.849  -7.503  -9.037
  465   HH12  ARG  55          2HH1      ARG  55   2.376  -9.076  -9.585
  466   HH21  ARG  55          1HH2      ARG  55   1.316 -10.177  -6.444
  467   HH22  ARG  55          2HH2      ARG  55   1.505 -10.594  -8.114
  468    H    LEU  56           H        LEU  56   2.991  -2.082 -10.645
  469    HA   LEU  56           HA       LEU  56   3.206  -0.236  -8.619
  470    HB2  LEU  56           2HB      LEU  56   3.138   0.044 -11.599
  471    HB3  LEU  56           1HB      LEU  56   3.245   1.468 -10.583
  472    HG   LEU  56           HG       LEU  56   5.200  -0.778 -10.241
  473   HD11  LEU  56          1HD1      LEU  56   6.603   0.003 -11.923
  474   HD12  LEU  56          2HD1      LEU  56   5.723   1.523 -12.085
  475   HD13  LEU  56          3HD1      LEU  56   5.008   0.023 -12.677
  476   HD21  LEU  56          3HD2      LEU  56   4.930   2.047  -9.414
  477   HD22  LEU  56          1HD2      LEU  56   6.553   1.492  -9.826
  478   HD23  LEU  56          2HD2      LEU  56   5.636   0.675  -8.560
  479    HA   PRO  57           HA       PRO  57  -0.945   1.832 -10.531
  480    HB2  PRO  57           2HB      PRO  57  -2.229  -0.859 -10.779
  481    HB3  PRO  57           1HB      PRO  57  -2.529   0.618 -11.703
  482    HG2  PRO  57           2HG      PRO  57  -1.078  -1.363 -12.734
  483    HG3  PRO  57           1HG      PRO  57  -0.649   0.333 -13.024
  484    HD2  PRO  57           2HD      PRO  57   0.660  -1.678 -11.274
  485    HD3  PRO  57           1HD      PRO  57   1.360  -0.287 -12.122
  486    H    LEU  58           H        LEU  58  -0.570  -1.014  -8.507
  487    HA   LEU  58           HA       LEU  58  -2.819  -0.699  -6.869
  488    HB2  LEU  58           2HB      LEU  58  -0.865  -2.541  -7.049
  489    HB3  LEU  58           1HB      LEU  58  -0.328  -1.689  -5.614
  490    HG   LEU  58           HG       LEU  58  -3.162  -2.636  -5.792
  491   HD11  LEU  58          1HD1      LEU  58  -0.729  -4.309  -5.257
  492   HD12  LEU  58          2HD1      LEU  58  -2.092  -4.646  -6.324
  493   HD13  LEU  58          3HD1      LEU  58  -2.305  -4.712  -4.576
  494   HD21  LEU  58          3HD2      LEU  58  -1.568  -2.806  -3.322
  495   HD22  LEU  58          1HD2      LEU  58  -3.218  -2.235  -3.574
  496   HD23  LEU  58          2HD2      LEU  58  -1.854  -1.178  -3.937
  497    H    PHE  59           H        PHE  59   0.268   0.924  -6.878
  498    HA   PHE  59           HA       PHE  59   0.442   1.942  -4.329
  499    HB2  PHE  59           2HB      PHE  59   1.274   2.969  -7.008
  500    HB3  PHE  59           1HB      PHE  59   1.406   4.038  -5.617
  501    HD1  PHE  59           2HD      PHE  59   2.239   0.521  -6.549
  502    HD2  PHE  59           1HD      PHE  59   3.409   4.065  -4.506
  503    HE1  PHE  59           2HE      PHE  59   4.380  -0.534  -5.952
  504    HE2  PHE  59           1HE      PHE  59   5.552   3.016  -3.905
  505    HZ   PHE  59           HZ       PHE  59   6.040   0.713  -4.628
  506    H    ASP  60           H        ASP  60  -1.706   2.913  -6.913
  507    HA   ASP  60           HA       ASP  60  -2.538   5.399  -6.028
  508    HB2  ASP  60           2HB      ASP  60  -3.197   4.023  -8.149
  509    HB3  ASP  60           1HB      ASP  60  -4.527   3.456  -7.144
  510    H    ALA  61           H        ALA  61  -3.806   2.216  -5.151
  511    HA   ALA  61           HA       ALA  61  -5.741   3.235  -3.318
  512    HB1  ALA  61           1HB      ALA  61  -6.412   1.080  -3.060
  513    HB2  ALA  61           2HB      ALA  61  -4.764   0.450  -3.039
  514    HB3  ALA  61           3HB      ALA  61  -5.516   0.900  -4.569
  515    H    ILE  62           H        ILE  62  -2.366   2.616  -3.098
  516    HA   ILE  62           HA       ILE  62  -2.236   2.082  -0.305
  517    HB   ILE  62           HB       ILE  62  -0.021   3.160  -2.040
  518   HG12  ILE  62          2HG1      ILE  62  -0.947   1.180  -3.100
  519   HG13  ILE  62          1HG1      ILE  62   0.604   0.779  -2.368
  520   HG21  ILE  62          1HG2      ILE  62  -0.043   2.854   0.646
  521   HG22  ILE  62          2HG2      ILE  62   1.403   2.707  -0.355
  522   HG23  ILE  62          3HG2      ILE  62   0.523   1.262   0.141
  523   HD11  ILE  62          3HD1      ILE  62  -1.356   0.265  -0.423
  524   HD12  ILE  62          1HD1      ILE  62  -0.378  -0.897  -1.318
  525   HD13  ILE  62          2HD1      ILE  62  -1.954  -0.405  -1.941
  526    H    ARG  63           H        ARG  63  -1.769   5.041  -2.226
  527    HA   ARG  63           HA       ARG  63  -0.873   6.679  -0.158
  528    HB2  ARG  63           2HB      ARG  63  -2.435   8.388  -1.719
  529    HB3  ARG  63           1HB      ARG  63  -0.715   8.089  -1.872
  530    HG2  ARG  63           2HG      ARG  63  -0.962   6.794  -3.720
  531    HG3  ARG  63           1HG      ARG  63  -2.552   6.210  -3.236
  532    HD2  ARG  63           2HD      ARG  63  -2.499   7.769  -5.223
  533    HD3  ARG  63           1HD      ARG  63  -3.609   8.199  -3.923
  534    HE   ARG  63           HE       ARG  63  -0.998   9.439  -3.784
  535   HH11  ARG  63          1HH1      ARG  63  -4.294   9.722  -4.901
  536   HH12  ARG  63          2HH1      ARG  63  -4.241  11.448  -5.007
  537   HH21  ARG  63          1HH2      ARG  63  -0.927  11.709  -3.926
  538   HH22  ARG  63          2HH2      ARG  63  -2.330  12.576  -4.456
  539    HA   PRO  64           HA       PRO  64  -5.746   7.915   0.342
  540    HB2  PRO  64           2HB      PRO  64  -6.407   4.993   0.204
  541    HB3  PRO  64           1HB      PRO  64  -7.430   6.390  -0.149
  542    HG2  PRO  64           2HG      PRO  64  -6.286   4.984  -2.111
  543    HG3  PRO  64           1HG      PRO  64  -6.467   6.745  -2.218
  544    HD2  PRO  64           2HD      PRO  64  -4.032   5.129  -1.813
  545    HD3  PRO  64           1HD      PRO  64  -4.206   6.774  -2.449
  546    H    LEU  65           H        LEU  65  -4.620   4.699   1.434
  547    HA   LEU  65           HA       LEU  65  -5.594   4.985   4.068
  548    HB2  LEU  65           2HB      LEU  65  -3.424   3.197   2.977
  549    HB3  LEU  65           1HB      LEU  65  -4.122   3.050   4.578
  550    HG   LEU  65           HG       LEU  65  -5.668   2.749   2.004
  551   HD11  LEU  65          1HD1      LEU  65  -4.016   0.959   2.318
  552   HD12  LEU  65          2HD1      LEU  65  -5.671   0.373   2.465
  553   HD13  LEU  65          3HD1      LEU  65  -4.695   0.630   3.912
  554   HD21  LEU  65          3HD2      LEU  65  -6.456   2.106   4.843
  555   HD22  LEU  65          1HD2      LEU  65  -7.456   1.937   3.399
  556   HD23  LEU  65          2HD2      LEU  65  -6.972   3.540   3.954
  557    H    ILE  66           H        ILE  66  -2.599   5.898   2.531
  558    HA   ILE  66           HA       ILE  66  -1.115   6.315   4.921
  559    HB   ILE  66           HB       ILE  66  -0.513   6.272   2.222
  560   HG12  ILE  66          2HG1      ILE  66   1.758   7.296   3.502
  561   HG13  ILE  66          1HG1      ILE  66   0.865   6.446   4.758
  562   HG21  ILE  66          1HG2      ILE  66   0.110   9.044   3.218
  563   HG22  ILE  66          2HG2      ILE  66  -1.155   8.656   2.055
  564   HG23  ILE  66          3HG2      ILE  66   0.535   8.355   1.652
  565   HD11  ILE  66          3HD1      ILE  66   0.872   4.425   3.453
  566   HD12  ILE  66          1HD1      ILE  66   2.519   5.031   3.622
  567   HD13  ILE  66          2HD1      ILE  66   1.647   5.261   2.108
  568    HA   PRO  67           HA       PRO  67  -2.521  10.165   6.520
  569    HB2  PRO  67           2HB      PRO  67   0.317  11.065   6.441
  570    HB3  PRO  67           1HB      PRO  67  -0.822  11.048   7.793
  571    HG2  PRO  67           2HG      PRO  67   1.123   9.238   7.639
  572    HG3  PRO  67           1HG      PRO  67  -0.494   8.792   8.215
  573    HD2  PRO  67           2HD      PRO  67   0.790   8.265   5.571
  574    HD3  PRO  67           1HD      PRO  67  -0.313   7.242   6.516
  575    H    LEU  68           H        LEU  68  -2.809  12.377   5.996
  576    HA   LEU  68           HA       LEU  68  -3.106  12.994   3.329
  577    HB2  LEU  68           2HB      LEU  68  -2.493  15.377   4.905
  578    HB3  LEU  68           1HB      LEU  68  -3.943  14.957   4.021
  579    HG   LEU  68           HG       LEU  68  -4.413  13.390   6.061
  580   HD11  LEU  68          1HD1      LEU  68  -2.053  14.847   6.908
  581   HD12  LEU  68          2HD1      LEU  68  -2.847  13.455   7.646
  582   HD13  LEU  68          3HD1      LEU  68  -3.409  15.086   8.011
  583   HD21  LEU  68          3HD2      LEU  68  -5.395  15.743   5.257
  584   HD22  LEU  68          1HD2      LEU  68  -4.724  16.231   6.813
  585   HD23  LEU  68          2HD2      LEU  68  -5.919  14.937   6.734
  586    H    LYS  69           H        LYS  69  -0.694  14.690   5.331
  587    HA   LYS  69           HA       LYS  69   0.821  15.676   3.230
  588    HB2  LYS  69           2HB      LYS  69   2.672  15.861   4.911
  589    HB3  LYS  69           1HB      LYS  69   1.143  16.556   5.430
  590    HG2  LYS  69           2HG      LYS  69   1.160  13.861   6.275
  591    HG3  LYS  69           1HG      LYS  69   2.728  14.554   6.693
  592    HD2  LYS  69           2HD      LYS  69   1.555  16.445   7.781
  593    HD3  LYS  69           1HD      LYS  69   0.016  15.655   7.433
  594    HE2  LYS  69           2HE      LYS  69   1.355  13.645   8.655
  595    HE3  LYS  69           1HE      LYS  69   2.045  15.043   9.476
  596    HZ1  LYS  69           3HZ      LYS  69  -0.205  13.871  10.240
  597    HZ2  LYS  69           1HZ      LYS  69  -0.848  15.027   9.184
  598    HZ3  LYS  69           2HZ      LYS  69   0.106  15.514  10.494
  599    H    HIS  70           H        HIS  70   0.840  12.526   4.714
  600    HA   HIS  70           HA       HIS  70   3.332  11.630   3.734
  601    HB2  HIS  70           2HB      HIS  70   0.847  10.226   4.676
  602    HB3  HIS  70           1HB      HIS  70   2.206   9.317   4.021
  603    HD1  HIS  70           1HD      HIS  70   3.144   8.251   6.078
  604    HD2  HIS  70           2HD      HIS  70   2.487  12.326   6.563
  605    HE1  HIS  70           1HE      HIS  70   4.146   8.833   8.310
  606    HE2  HIS  70           2HE      HIS  70   3.817  11.320   8.541
  607    H    GLN  71           H        GLN  71   0.157  11.853   2.300
  608    HA   GLN  71           HA       GLN  71   0.544  10.104   0.131
  609    HB2  GLN  71           2HB      GLN  71  -1.230  12.513   0.494
  610    HB3  GLN  71           1HB      GLN  71  -1.245  11.548  -0.974
  611    HG2  GLN  71           2HG      GLN  71  -1.906   9.589   0.286
  612    HG3  GLN  71           1HG      GLN  71  -1.820  10.505   1.789
  613   HE21  GLN  71          1HE2      GLN  71  -3.740   9.606  -0.848
  614   HE22  GLN  71          2HE2      GLN  71  -5.120  10.582  -0.490
  615    H    VAL  72           H        VAL  72   0.957  13.612   0.387
  616    HA   VAL  72           HA       VAL  72   1.856  14.081  -2.218
  617    HB   VAL  72           HB       VAL  72   2.707  15.602   0.250
  618   HG11  VAL  72          1HG1      VAL  72   2.410  16.562  -2.591
  619   HG12  VAL  72          2HG1      VAL  72   3.941  16.067  -1.868
  620   HG13  VAL  72          3HG1      VAL  72   3.068  17.455  -1.220
  621   HG21  VAL  72          3HG2      VAL  72   0.512  16.703  -1.329
  622   HG22  VAL  72          1HG2      VAL  72   0.681  16.536   0.420
  623   HG23  VAL  72          2HG2      VAL  72   0.116  15.174  -0.546
  624    H    GLU  73           H        GLU  73   3.707  13.444   0.757
  625    HA   GLU  73           HA       GLU  73   6.244  13.550  -0.504
  626    HB2  GLU  73           2HB      GLU  73   5.623  13.678   2.024
  627    HB3  GLU  73           1HB      GLU  73   5.713  11.924   1.964
  628    HG2  GLU  73           2HG      GLU  73   7.956  11.907   1.809
  629    HG3  GLU  73           1HG      GLU  73   8.006  13.351   0.799
  630    H    TYR  74           H        TYR  74   3.955  10.943   0.109
  631    HA   TYR  74           HA       TYR  74   5.556   8.751  -0.479
  632    HB2  TYR  74           2HB      TYR  74   3.181   8.673   0.343
  633    HB3  TYR  74           1HB      TYR  74   2.658   9.065  -1.290
  634    HD1  TYR  74           1HD      TYR  74   4.827   6.586   0.478
  635    HD2  TYR  74           2HD      TYR  74   2.071   7.318  -2.679
  636    HE1  TYR  74           1HE      TYR  74   4.856   4.195  -0.094
  637    HE2  TYR  74           2HE      TYR  74   2.092   4.929  -3.260
  638    HH   TYR  74           HH       TYR  74   4.395   2.758  -2.031
  639    H    ASP  75           H        ASP  75   3.758  10.893  -2.620
  640    HA   ASP  75           HA       ASP  75   4.520   9.549  -5.023
  641    HB2  ASP  75           2HB      ASP  75   3.182  12.156  -4.381
  642    HB3  ASP  75           1HB      ASP  75   3.759  11.853  -6.016
  643    H    GLN  76           H        GLN  76   5.847  12.131  -3.067
  644    HA   GLN  76           HA       GLN  76   7.640  13.187  -4.981
  645    HB2  GLN  76           2HB      GLN  76   7.708  13.174  -1.961
  646    HB3  GLN  76           1HB      GLN  76   8.866  14.051  -2.952
  647    HG2  GLN  76           2HG      GLN  76   5.987  14.538  -3.449
  648    HG3  GLN  76           1HG      GLN  76   6.691  15.188  -1.969
  649   HE21  GLN  76          1HE2      GLN  76   7.999  16.932  -2.072
  650   HE22  GLN  76          2HE2      GLN  76   8.384  17.774  -3.531
  651    H    LEU  77           H        LEU  77   7.816  10.462  -2.791
  652    HA   LEU  77           HA       LEU  77  10.634  10.026  -3.295
  653    HB2  LEU  77           2HB      LEU  77   8.608   8.345  -1.820
  654    HB3  LEU  77           1HB      LEU  77  10.329   8.021  -1.886
  655    HG   LEU  77           HG       LEU  77   9.103  10.501  -0.679
  656   HD11  LEU  77          1HD1      LEU  77   8.482   8.614   0.660
  657   HD12  LEU  77          2HD1      LEU  77   9.788   9.474   1.477
  658   HD13  LEU  77          3HD1      LEU  77  10.126   7.977   0.607
  659   HD21  LEU  77          3HD2      LEU  77  11.867   9.582  -1.183
  660   HD22  LEU  77          1HD2      LEU  77  11.550  10.332   0.382
  661   HD23  LEU  77          2HD2      LEU  77  11.209  11.216  -1.104
  662    H    THR  78           H        THR  78   7.547   8.704  -4.317
  663    HA   THR  78           HA       THR  78   8.848   6.632  -5.891
  664    HB   THR  78           HB       THR  78   6.608   5.832  -6.371
  665    HG1  THR  78           1HG      THR  78   4.845   6.987  -5.975
  666   HG21  THR  78          3HG2      THR  78   7.289   5.007  -4.292
  667   HG22  THR  78          1HG2      THR  78   5.663   5.636  -4.026
  668   HG23  THR  78          2HG2      THR  78   7.066   6.569  -3.504
  669    HA   PRO  79           HA       PRO  79   8.917   9.333  -9.455
  670    HB2  PRO  79           2HB      PRO  79   9.778   7.510 -11.263
  671    HB3  PRO  79           1HB      PRO  79  10.849   8.243 -10.063
  672    HG2  PRO  79           2HG      PRO  79   9.498   5.570 -10.020
  673    HG3  PRO  79           1HG      PRO  79  11.164   5.989  -9.576
  674    HD2  PRO  79           2HD      PRO  79   9.207   5.622  -7.736
  675    HD3  PRO  79           1HD      PRO  79  10.549   6.758  -7.494
  676    H    ARG  80           H        ARG  80   7.778   9.614 -11.424
  677    HA   ARG  80           HA       ARG  80   5.367   7.947 -11.622
  678    HB2  ARG  80           2HB      ARG  80   5.920  10.823 -12.025
  679    HB3  ARG  80           1HB      ARG  80   4.796  10.096 -13.163
  680    HG2  ARG  80           2HG      ARG  80   3.205   9.726 -11.574
  681    HG3  ARG  80           1HG      ARG  80   4.386   9.573 -10.270
  682    HD2  ARG  80           2HD      ARG  80   3.415  11.608  -9.787
  683    HD3  ARG  80           1HD      ARG  80   4.820  12.096 -10.735
  684    HE   ARG  80           HE       ARG  80   3.408  12.891 -12.343
  685   HH11  ARG  80          1HH1      ARG  80   1.621  10.733 -10.262
  686   HH12  ARG  80          2HH1      ARG  80   0.092  11.098 -10.986
  687   HH21  ARG  80          1HH2      ARG  80   1.396  13.373 -13.297
  688   HH22  ARG  80          2HH2      ARG  80  -0.037  12.596 -12.711
  Start of MODEL   18
    1    H1   MET   1           1HT      MET   1  -7.356   4.544  10.939
    2    H2   MET   1           2HT      MET   1  -6.356   3.172  11.182
    3    H3   MET   1           3HT      MET   1  -8.059   2.988  11.086
    4    HA   MET   1           HA       MET   1  -6.146   3.650   8.967
    5    HB2  MET   1           2HB      MET   1  -8.144   1.478   9.553
    6    HB3  MET   1           1HB      MET   1  -7.560   1.753   7.918
    7    HG2  MET   1           2HG      MET   1  -5.512   1.499  10.029
    8    HG3  MET   1           1HG      MET   1  -6.418   0.044   9.619
    9    HE1  MET   1           2HE      MET   1  -5.986  -1.378   7.394
   10    HE2  MET   1           3HE      MET   1  -4.778  -1.430   8.679
   11    HE3  MET   1           1HE      MET   1  -4.270  -1.324   6.994
   12    H    ASP   2           H        ASP   2  -6.992   4.292   6.940
   13    HA   ASP   2           HA       ASP   2  -9.059   6.218   7.087
   14    HB2  ASP   2           2HB      ASP   2  -7.042   5.490   5.242
   15    HB3  ASP   2           1HB      ASP   2  -8.569   5.414   4.369
   16    H    ARG   3           H        ARG   3 -10.725   6.090   5.067
   17    HA   ARG   3           HA       ARG   3 -12.004   3.458   5.051
   18    HB2  ARG   3           2HB      ARG   3 -13.353   6.027   5.890
   19    HB3  ARG   3           1HB      ARG   3 -14.221   4.553   5.480
   20    HG2  ARG   3           2HG      ARG   3 -12.114   4.195   7.482
   21    HG3  ARG   3           1HG      ARG   3 -13.429   5.260   7.981
   22    HD2  ARG   3           2HD      ARG   3 -14.500   2.947   6.665
   23    HD3  ARG   3           1HD      ARG   3 -13.395   2.445   7.945
   24    HE   ARG   3           HE       ARG   3 -15.266   4.472   8.756
   25   HH11  ARG   3          1HH1      ARG   3 -14.745   1.040   8.383
   26   HH12  ARG   3          2HH1      ARG   3 -15.929   0.605   9.568
   27   HH21  ARG   3          1HH2      ARG   3 -16.826   3.900  10.315
   28   HH22  ARG   3          2HH2      ARG   3 -17.111   2.228  10.665
   29    H    LYS   4           H        LYS   4 -13.989   3.539   3.538
   30    HA   LYS   4           HA       LYS   4 -14.915   3.936   1.492
   31    HB2  LYS   4           2HB      LYS   4 -14.359   6.414   2.232
   32    HB3  LYS   4           1HB      LYS   4 -13.152   6.286   0.961
   33    HG2  LYS   4           2HG      LYS   4 -15.984   5.535   0.395
   34    HG3  LYS   4           1HG      LYS   4 -15.506   7.234   0.426
   35    HD2  LYS   4           2HD      LYS   4 -13.828   5.348  -1.139
   36    HD3  LYS   4           1HD      LYS   4 -15.409   5.778  -1.795
   37    HE2  LYS   4           2HE      LYS   4 -13.879   8.060  -0.795
   38    HE3  LYS   4           1HE      LYS   4 -13.103   7.213  -2.134
   39    HZ1  LYS   4           3HZ      LYS   4 -14.420   8.553  -3.346
   40    HZ2  LYS   4           1HZ      LYS   4 -15.539   8.790  -2.100
   41    HZ3  LYS   4           2HZ      LYS   4 -15.599   7.382  -3.034
   42    H    VAL   5           H        VAL   5 -11.466   4.878   1.323
   43    HA   VAL   5           HA       VAL   5 -11.128   3.628  -1.228
   44    HB   VAL   5           HB       VAL   5  -8.832   4.342   0.571
   45   HG11  VAL   5          1HG1      VAL   5  -7.755   3.722  -1.279
   46   HG12  VAL   5          2HG1      VAL   5  -8.351   5.214  -2.005
   47   HG13  VAL   5          3HG1      VAL   5  -9.238   3.707  -2.234
   48   HG21  VAL   5          3HG2      VAL   5  -9.693   6.405   0.788
   49   HG22  VAL   5          1HG2      VAL   5 -10.881   6.149  -0.490
   50   HG23  VAL   5          2HG2      VAL   5  -9.229   6.608  -0.901
   51    H    ALA   6           H        ALA   6 -10.799   2.621   2.076
   52    HA   ALA   6           HA       ALA   6  -9.015   0.506   1.852
   53    HB1  ALA   6           1HB      ALA   6 -10.315   1.524   3.907
   54    HB2  ALA   6           2HB      ALA   6  -9.695  -0.127   3.940
   55    HB3  ALA   6           3HB      ALA   6 -11.400   0.168   3.594
   56    H    ARG   7           H        ARG   7 -12.466   0.626   1.151
   57    HA   ARG   7           HA       ARG   7 -12.806  -2.138   0.671
   58    HB2  ARG   7           2HB      ARG   7 -14.623  -0.403   1.079
   59    HB3  ARG   7           1HB      ARG   7 -14.413   0.072  -0.600
   60    HG2  ARG   7           2HG      ARG   7 -16.067  -1.409  -0.940
   61    HG3  ARG   7           1HG      ARG   7 -14.743  -2.577  -0.910
   62    HD2  ARG   7           2HD      ARG   7 -15.236  -2.481   1.699
   63    HD3  ARG   7           1HD      ARG   7 -16.834  -2.013   1.120
   64    HE   ARG   7           HE       ARG   7 -15.613  -4.609   0.942
   65   HH11  ARG   7          1HH1      ARG   7 -18.004  -2.472  -0.435
   66   HH12  ARG   7          2HH1      ARG   7 -18.951  -3.759  -1.103
   67   HH21  ARG   7          1HH2      ARG   7 -16.857  -6.303   0.065
   68   HH22  ARG   7          2HH2      ARG   7 -18.301  -5.934  -0.818
   69    H    GLU   8           H        GLU   8 -12.454   0.588  -1.570
   70    HA   GLU   8           HA       GLU   8 -12.330  -0.919  -3.927
   71    HB2  GLU   8           2HB      GLU   8 -12.655   1.565  -3.779
   72    HB3  GLU   8           1HB      GLU   8 -10.943   1.716  -3.410
   73    HG2  GLU   8           2HG      GLU   8 -10.664   0.369  -5.640
   74    HG3  GLU   8           1HG      GLU   8 -12.279   0.994  -5.967
   75    H    PHE   9           H        PHE   9  -9.897  -0.088  -1.557
   76    HA   PHE   9           HA       PHE   9  -7.593  -0.727  -3.017
   77    HB2  PHE   9           2HB      PHE   9  -7.503   0.446  -0.872
   78    HB3  PHE   9           1HB      PHE   9  -8.113  -0.983  -0.045
   79    HD1  PHE   9           2HD      PHE   9  -5.233   0.441  -1.841
   80    HD2  PHE   9           1HD      PHE   9  -6.679  -2.785   0.528
   81    HE1  PHE   9           2HE      PHE   9  -2.926  -0.350  -1.518
   82    HE2  PHE   9           1HE      PHE   9  -4.374  -3.581   0.857
   83    HZ   PHE   9           HZ       PHE   9  -2.494  -2.363  -0.168
   84    H    ARG  10           H        ARG  10  -9.467  -2.744  -0.748
   85    HA   ARG  10           HA       ARG  10  -8.023  -5.104  -1.079
   86    HB2  ARG  10           2HB      ARG  10  -9.787  -4.652   0.657
   87    HB3  ARG  10           1HB      ARG  10 -10.999  -4.917  -0.589
   88    HG2  ARG  10           2HG      ARG  10  -9.131  -7.104  -0.519
   89    HG3  ARG  10           1HG      ARG  10  -9.829  -6.823   1.077
   90    HD2  ARG  10           2HD      ARG  10 -12.059  -6.651  -0.356
   91    HD3  ARG  10           1HD      ARG  10 -11.132  -7.676  -1.451
   92    HE   ARG  10           HE       ARG  10 -12.237  -8.413   1.098
   93   HH11  ARG  10          1HH1      ARG  10  -9.780  -9.138  -1.273
   94   HH12  ARG  10          2HH1      ARG  10  -9.606 -10.786  -0.772
   95   HH21  ARG  10          1HH2      ARG  10 -12.008 -10.581   1.758
   96   HH22  ARG  10          2HH2      ARG  10 -10.871 -11.606   0.949
   97    H    HIS  11           H        HIS  11 -10.708  -3.779  -2.943
   98    HA   HIS  11           HA       HIS  11 -11.028  -6.069  -4.612
   99    HB2  HIS  11           2HB      HIS  11 -12.319  -3.549  -4.247
  100    HB3  HIS  11           1HB      HIS  11 -11.932  -3.720  -5.955
  101    HD1  HIS  11           1HD      HIS  11 -12.560  -6.485  -6.669
  102    HD2  HIS  11           2HD      HIS  11 -14.835  -4.426  -3.867
  103    HE1  HIS  11           1HE      HIS  11 -14.780  -7.667  -6.604
  104    HE2  HIS  11           2HE      HIS  11 -16.167  -6.350  -4.965
  105    H    LYS  12           H        LYS  12  -9.131  -3.116  -4.800
  106    HA   LYS  12           HA       LYS  12  -8.340  -3.411  -7.510
  107    HB2  LYS  12           2HB      LYS  12  -8.005  -1.498  -5.485
  108    HB3  LYS  12           1HB      LYS  12  -6.378  -2.009  -5.912
  109    HG2  LYS  12           2HG      LYS  12  -8.133  -1.473  -8.199
  110    HG3  LYS  12           1HG      LYS  12  -7.779  -0.072  -7.187
  111    HD2  LYS  12           2HD      LYS  12  -5.315  -0.992  -7.363
  112    HD3  LYS  12           1HD      LYS  12  -5.943  -1.746  -8.830
  113    HE2  LYS  12           2HE      LYS  12  -6.620   1.099  -8.457
  114    HE3  LYS  12           1HE      LYS  12  -4.914   0.750  -8.729
  115    HZ1  LYS  12           3HZ      LYS  12  -5.288   0.152 -10.847
  116    HZ2  LYS  12           1HZ      LYS  12  -6.700   1.072 -10.684
  117    HZ3  LYS  12           2HZ      LYS  12  -6.761  -0.610 -10.505
  118    H    VAL  13           H        VAL  13  -6.496  -3.930  -4.496
  119    HA   VAL  13           HA       VAL  13  -4.235  -5.067  -5.628
  120    HB   VAL  13           HB       VAL  13  -5.434  -5.795  -2.952
  121   HG11  VAL  13          1HG1      VAL  13  -3.578  -6.952  -2.501
  122   HG12  VAL  13          2HG1      VAL  13  -2.534  -5.704  -3.179
  123   HG13  VAL  13          3HG1      VAL  13  -3.264  -6.912  -4.235
  124   HG21  VAL  13          3HG2      VAL  13  -3.883  -4.026  -2.089
  125   HG22  VAL  13          1HG2      VAL  13  -5.234  -3.419  -3.046
  126   HG23  VAL  13          2HG2      VAL  13  -3.626  -3.525  -3.760
  127    H    ASP  14           H        ASP  14  -7.189  -6.675  -4.479
  128    HA   ASP  14           HA       ASP  14  -6.399  -9.313  -4.932
  129    HB2  ASP  14           2HB      ASP  14  -8.473  -8.522  -3.714
  130    HB3  ASP  14           1HB      ASP  14  -9.210  -8.265  -5.293
  131    H    PHE  15           H        PHE  15  -7.985  -6.997  -7.094
  132    HA   PHE  15           HA       PHE  15  -8.240  -8.791  -9.279
  133    HB2  PHE  15           2HB      PHE  15  -9.267  -6.345  -8.730
  134    HB3  PHE  15           1HB      PHE  15  -8.002  -5.902  -9.871
  135    HD1  PHE  15           1HD      PHE  15 -10.678  -8.483  -9.522
  136    HD2  PHE  15           2HD      PHE  15  -8.597  -5.792 -12.078
  137    HE1  PHE  15           1HE      PHE  15 -12.147  -9.126 -11.388
  138    HE2  PHE  15           2HE      PHE  15 -10.062  -6.428 -13.949
  139    HZ   PHE  15           HZ       PHE  15 -11.840  -8.097 -13.604
  140    H    LEU  16           H        LEU  16  -5.763  -6.511  -8.266
  141    HA   LEU  16           HA       LEU  16  -4.205  -6.814 -10.662
  142    HB2  LEU  16           2HB      LEU  16  -3.545  -5.574  -7.993
  143    HB3  LEU  16           1HB      LEU  16  -2.490  -5.528  -9.394
  144    HG   LEU  16           HG       LEU  16  -5.278  -4.417  -9.525
  145   HD11  LEU  16          1HD1      LEU  16  -3.896  -2.191  -9.181
  146   HD12  LEU  16          2HD1      LEU  16  -2.875  -3.259  -8.216
  147   HD13  LEU  16          3HD1      LEU  16  -4.583  -3.076  -7.819
  148   HD21  LEU  16          3HD2      LEU  16  -4.637  -3.506 -11.497
  149   HD22  LEU  16          1HD2      LEU  16  -3.512  -4.866 -11.484
  150   HD23  LEU  16          2HD2      LEU  16  -2.970  -3.268 -10.974
  151    H    ILE  17           H        ILE  17  -3.185  -7.378  -7.316
  152    HA   ILE  17           HA       ILE  17  -1.259  -9.327  -8.106
  153    HB   ILE  17           HB       ILE  17  -2.254  -8.807  -5.309
  154   HG12  ILE  17          2HG1      ILE  17  -0.029  -7.424  -6.825
  155   HG13  ILE  17          1HG1      ILE  17  -1.567  -6.698  -6.369
  156   HG21  ILE  17          1HG2      ILE  17   0.557  -9.450  -5.704
  157   HG22  ILE  17          2HG2      ILE  17  -0.528 -10.727  -6.256
  158   HG23  ILE  17          3HG2      ILE  17  -0.621 -10.149  -4.593
  159   HD11  ILE  17          3HD1      ILE  17   0.650  -6.373  -4.952
  160   HD12  ILE  17          1HD1      ILE  17   0.072  -7.858  -4.200
  161   HD13  ILE  17          2HD1      ILE  17  -0.950  -6.420  -4.212
  162    H    GLU  18           H        GLU  18  -3.975  -9.647  -5.843
  163    HA   GLU  18           HA       GLU  18  -5.531 -11.296  -5.559
  164    HB2  GLU  18           2HB      GLU  18  -5.272 -11.423  -8.173
  165    HB3  GLU  18           1HB      GLU  18  -4.427 -12.922  -7.814
  166    HG2  GLU  18           2HG      GLU  18  -6.846 -12.869  -6.320
  167    HG3  GLU  18           1HG      GLU  18  -7.208 -12.467  -7.997
  168    H    ASN  19           H        ASN  19  -2.302 -11.555  -5.180
  169    HA   ASN  19           HA       ASN  19  -2.262 -14.355  -4.388
  170    HB2  ASN  19           2HB      ASN  19  -0.218 -12.261  -4.887
  171    HB3  ASN  19           1HB      ASN  19   0.180 -13.484  -3.685
  172   HD21  ASN  19          1HD2      ASN  19   1.176 -12.888  -6.448
  173   HD22  ASN  19          2HD2      ASN  19   1.081 -14.399  -7.279
  174    H    ASP  20           H        ASP  20  -2.837 -14.940  -2.411
  175    HA   ASP  20           HA       ASP  20  -3.463 -13.164  -0.344
  176    HB2  ASP  20           2HB      ASP  20  -3.586 -15.166   1.092
  177    HB3  ASP  20           1HB      ASP  20  -4.396 -15.417  -0.452
  178    H    ALA  21           H        ALA  21  -0.495 -14.875  -1.099
  179    HA   ALA  21           HA       ALA  21   0.840 -14.367   1.343
  180    HB1  ALA  21           1HB      ALA  21   2.561 -15.494   0.432
  181    HB2  ALA  21           2HB      ALA  21   2.509 -14.568  -1.069
  182    HB3  ALA  21           3HB      ALA  21   1.382 -15.903  -0.815
  183    H    GLU  22           H        GLU  22   0.840 -12.688  -1.770
  184    HA   GLU  22           HA       GLU  22   2.703 -10.694  -1.071
  185    HB2  GLU  22           2HB      GLU  22   1.251 -11.392  -3.347
  186    HB3  GLU  22           1HB      GLU  22   0.695  -9.770  -2.957
  187    HG2  GLU  22           2HG      GLU  22   3.583 -10.039  -2.791
  188    HG3  GLU  22           1HG      GLU  22   2.948 -10.421  -4.390
  189    H    LYS  23           H        LYS  23  -0.764 -10.960  -0.628
  190    HA   LYS  23           HA       LYS  23  -1.204  -8.252   0.117
  191    HB2  LYS  23           2HB      LYS  23  -2.798 -10.766   0.634
  192    HB3  LYS  23           1HB      LYS  23  -3.350  -9.157   1.078
  193    HG2  LYS  23           2HG      LYS  23  -3.303  -8.479  -1.260
  194    HG3  LYS  23           1HG      LYS  23  -2.717 -10.079  -1.717
  195    HD2  LYS  23           2HD      LYS  23  -4.976 -10.611  -0.210
  196    HD3  LYS  23           1HD      LYS  23  -5.420  -9.179  -1.140
  197    HE2  LYS  23           2HE      LYS  23  -5.038 -10.260  -3.191
  198    HE3  LYS  23           1HE      LYS  23  -4.137 -11.568  -2.428
  199    HZ1  LYS  23           3HZ      LYS  23  -6.134 -12.577  -2.768
  200    HZ2  LYS  23           1HZ      LYS  23  -7.031 -11.154  -2.587
  201    HZ3  LYS  23           2HZ      LYS  23  -6.413 -11.944  -1.224
  202    H    ASP  24           H        ASP  24  -0.294 -11.152   1.861
  203    HA   ASP  24           HA       ASP  24  -0.699 -10.053   4.466
  204    HB2  ASP  24           2HB      ASP  24  -0.530 -12.547   3.756
  205    HB3  ASP  24           1HB      ASP  24   1.209 -12.300   3.874
  206    H    TYR  25           H        TYR  25   1.959 -10.182   2.195
  207    HA   TYR  25           HA       TYR  25   3.982  -9.322   3.998
  208    HB2  TYR  25           2HB      TYR  25   3.842 -10.142   1.298
  209    HB3  TYR  25           1HB      TYR  25   4.541  -8.526   1.289
  210    HD1  TYR  25           2HD      TYR  25   4.908 -11.229   3.823
  211    HD2  TYR  25           1HD      TYR  25   6.801  -8.872   0.831
  212    HE1  TYR  25           2HE      TYR  25   7.085 -12.175   4.463
  213    HE2  TYR  25           1HE      TYR  25   8.983  -9.813   1.461
  214    HH   TYR  25           HH       TYR  25   9.469 -11.580   4.313
  215    H    LEU  26           H        LEU  26   2.060  -7.625   1.534
  216    HA   LEU  26           HA       LEU  26   3.123  -5.066   2.052
  217    HB2  LEU  26           2HB      LEU  26   1.419  -4.216   0.658
  218    HB3  LEU  26           1HB      LEU  26   1.845  -5.784   0.003
  219    HG   LEU  26           HG       LEU  26  -0.190  -6.620   1.422
  220   HD11  LEU  26          1HD1      LEU  26  -1.925  -4.619   1.142
  221   HD12  LEU  26          2HD1      LEU  26  -0.469  -3.674   1.459
  222   HD13  LEU  26          3HD1      LEU  26  -1.007  -4.881   2.626
  223   HD21  LEU  26          3HD2      LEU  26  -1.694  -5.993  -0.523
  224   HD22  LEU  26          1HD2      LEU  26  -0.211  -6.861  -0.921
  225   HD23  LEU  26          2HD2      LEU  26  -0.310  -5.119  -1.178
  226    H    TYR  27           H        TYR  27   0.527  -6.899   3.516
  227    HA   TYR  27           HA       TYR  27  -0.654  -4.726   4.921
  228    HB2  TYR  27           2HB      TYR  27  -0.989  -7.625   4.789
  229    HB3  TYR  27           1HB      TYR  27  -1.231  -6.988   6.412
  230    HD1  TYR  27           1HD      TYR  27  -2.275  -6.402   2.877
  231    HD2  TYR  27           2HD      TYR  27  -3.301  -6.116   6.997
  232    HE1  TYR  27           1HE      TYR  27  -4.548  -5.699   2.257
  233    HE2  TYR  27           2HE      TYR  27  -5.576  -5.412   6.388
  234    HH   TYR  27           HH       TYR  27  -7.106  -5.513   4.546
  235    H    ASP  28           H        ASP  28   1.878  -7.049   5.661
  236    HA   ASP  28           HA       ASP  28   2.154  -6.406   8.400
  237    HB2  ASP  28           2HB      ASP  28   3.197  -8.330   6.785
  238    HB3  ASP  28           1HB      ASP  28   4.589  -7.266   6.968
  239    H    VAL  29           H        VAL  29   3.739  -5.202   5.474
  240    HA   VAL  29           HA       VAL  29   5.611  -3.528   6.744
  241    HB   VAL  29           HB       VAL  29   4.346  -3.070   4.039
  242   HG11  VAL  29          1HG1      VAL  29   5.586  -1.191   4.282
  243   HG12  VAL  29          2HG1      VAL  29   6.888  -2.268   3.778
  244   HG13  VAL  29          3HG1      VAL  29   6.648  -1.917   5.489
  245   HG21  VAL  29          3HG2      VAL  29   6.956  -4.406   4.171
  246   HG22  VAL  29          1HG2      VAL  29   5.565  -4.723   3.131
  247   HG23  VAL  29          2HG2      VAL  29   5.603  -5.366   4.773
  248    H    LEU  30           H        LEU  30   2.327  -2.911   5.556
  249    HA   LEU  30           HA       LEU  30   2.300  -0.150   6.174
  250    HB2  LEU  30           2HB      LEU  30   0.134  -2.182   5.709
  251    HB3  LEU  30           1HB      LEU  30  -0.243  -0.521   6.130
  252    HG   LEU  30           HG       LEU  30   1.582  -0.975   3.824
  253   HD11  LEU  30          1HD1      LEU  30  -0.730  -0.975   2.508
  254   HD12  LEU  30          2HD1      LEU  30  -1.245  -1.847   3.950
  255   HD13  LEU  30          3HD1      LEU  30   0.092  -2.463   2.979
  256   HD21  LEU  30          3HD2      LEU  30  -0.704   0.888   3.750
  257   HD22  LEU  30          1HD2      LEU  30   0.966   1.116   3.234
  258   HD23  LEU  30          2HD2      LEU  30   0.546   1.235   4.944
  259    H    ARG  31           H        ARG  31   1.161  -3.012   7.935
  260    HA   ARG  31           HA       ARG  31  -0.001  -1.746  10.116
  261    HB2  ARG  31           2HB      ARG  31   0.517  -4.361   9.381
  262    HB3  ARG  31           1HB      ARG  31   1.463  -4.165  10.849
  263    HG2  ARG  31           2HG      ARG  31  -0.844  -3.069  11.659
  264    HG3  ARG  31           1HG      ARG  31  -1.459  -4.213  10.463
  265    HD2  ARG  31           2HD      ARG  31   0.180  -4.781  12.919
  266    HD3  ARG  31           1HD      ARG  31  -1.438  -5.363  12.530
  267    HE   ARG  31           HE       ARG  31   0.079  -6.376  10.533
  268   HH11  ARG  31          1HH1      ARG  31   0.353  -6.451  14.012
  269   HH12  ARG  31          2HH1      ARG  31   1.152  -7.987  14.041
  270   HH21  ARG  31          1HH2      ARG  31   1.130  -8.397  10.570
  271   HH22  ARG  31          2HH2      ARG  31   1.594  -9.091  12.087
  272    H    MET  32           H        MET  32   3.371  -2.534   9.494
  273    HA   MET  32           HA       MET  32   4.242  -1.621  12.089
  274    HB2  MET  32           2HB      MET  32   5.498  -2.844   9.707
  275    HB3  MET  32           1HB      MET  32   6.530  -1.776  10.648
  276    HG2  MET  32           2HG      MET  32   5.380  -3.304  12.592
  277    HG3  MET  32           1HG      MET  32   5.527  -4.449  11.260
  278    HE1  MET  32           3HE      MET  32   7.135  -1.598  12.948
  279    HE2  MET  32           1HE      MET  32   8.865  -1.784  12.669
  280    HE3  MET  32           2HE      MET  32   8.108  -2.553  14.065
  281    H    TYR  33           H        TYR  33   3.868  -0.313   8.891
  282    HA   TYR  33           HA       TYR  33   5.559   1.937   9.165
  283    HB2  TYR  33           2HB      TYR  33   4.894   1.289   6.966
  284    HB3  TYR  33           1HB      TYR  33   3.186   1.374   7.385
  285    HD1  TYR  33           1HD      TYR  33   6.226   3.491   7.017
  286    HD2  TYR  33           2HD      TYR  33   1.976   3.324   6.968
  287    HE1  TYR  33           1HE      TYR  33   6.149   5.811   6.206
  288    HE2  TYR  33           2HE      TYR  33   1.889   5.644   6.156
  289    HH   TYR  33           HH       TYR  33   3.539   7.189   4.818
  290    H    HIS  34           H        HIS  34   2.336   1.237  10.250
  291    HA   HIS  34           HA       HIS  34   1.428   3.882  10.621
  292    HB2  HIS  34           2HB      HIS  34   0.416   1.284  11.026
  293    HB3  HIS  34           1HB      HIS  34   0.316   2.094  12.587
  294    HD1  HIS  34           1HD      HIS  34  -1.849   3.222  12.906
  295    HD2  HIS  34           2HD      HIS  34  -0.719   3.181   8.907
  296    HE1  HIS  34           1HE      HIS  34  -3.715   4.367  11.668
  297    HE2  HIS  34           2HE      HIS  34  -3.047   4.258   9.240
  298    H    GLN  35           H        GLN  35   2.827   1.567  12.949
  299    HA   GLN  35           HA       GLN  35   2.924   3.502  15.049
  300    HB2  GLN  35           2HB      GLN  35   4.342   1.730  16.189
  301    HB3  GLN  35           1HB      GLN  35   2.709   1.257  15.742
  302    HG2  GLN  35           2HG      GLN  35   3.467  -0.413  14.509
  303    HG3  GLN  35           1HG      GLN  35   4.515   0.672  13.596
  304   HE21  GLN  35          1HE2      GLN  35   4.741  -2.100  14.912
  305   HE22  GLN  35          2HE2      GLN  35   6.263  -2.027  15.728
  306    H    THR  36           H        THR  36   5.230   2.281  12.693
  307    HA   THR  36           HA       THR  36   7.472   3.623  13.888
  308    HB   THR  36           HB       THR  36   8.700   2.902  11.885
  309    HG1  THR  36           1HG      THR  36   6.160   2.006  11.005
  310   HG21  THR  36          3HG2      THR  36   8.360   0.471  12.036
  311   HG22  THR  36          1HG2      THR  36   6.924   0.758  13.019
  312   HG23  THR  36          2HG2      THR  36   8.510   1.247  13.612
  313    H    MET  37           H        MET  37   5.407   4.182  11.058
  314    HA   MET  37           HA       MET  37   4.973   6.051   9.840
  315    HB2  MET  37           2HB      MET  37   6.290   7.508  12.141
  316    HB3  MET  37           1HB      MET  37   5.309   8.247  10.884
  317    HG2  MET  37           2HG      MET  37   3.995   6.058  12.310
  318    HG3  MET  37           1HG      MET  37   4.400   7.449  13.313
  319    HE1  MET  37           3HE      MET  37   0.740   7.971  12.906
  320    HE2  MET  37           1HE      MET  37   1.874   6.753  13.488
  321    HE3  MET  37           2HE      MET  37   0.968   6.475  12.000
  322    H    ASP  38           H        ASP  38   7.233   4.614   9.164
  323    HA   ASP  38           HA       ASP  38   9.185   6.698   8.445
  324    HB2  ASP  38           2HB      ASP  38   9.614   3.704   8.476
  325    HB3  ASP  38           1HB      ASP  38  10.839   4.942   8.219
  326    H    VAL  39           H        VAL  39   8.391   7.476   6.545
  327    HA   VAL  39           HA       VAL  39   7.153   5.955   4.534
  328    HB   VAL  39           HB       VAL  39   8.684   8.516   4.085
  329   HG11  VAL  39          1HG1      VAL  39   7.082   8.866   2.287
  330   HG12  VAL  39          2HG1      VAL  39   6.285   7.343   2.682
  331   HG13  VAL  39          3HG1      VAL  39   7.939   7.339   2.068
  332   HG21  VAL  39          3HG2      VAL  39   7.322   9.323   5.700
  333   HG22  VAL  39          1HG2      VAL  39   6.168   7.999   5.538
  334   HG23  VAL  39          2HG2      VAL  39   6.141   9.338   4.389
  335    H    ALA  40           H        ALA  40  10.526   6.901   5.010
  336    HA   ALA  40           HA       ALA  40  11.569   6.062   2.565
  337    HB1  ALA  40           1HB      ALA  40  13.652   6.321   3.504
  338    HB2  ALA  40           2HB      ALA  40  13.150   5.670   5.065
  339    HB3  ALA  40           3HB      ALA  40  12.669   7.301   4.592
  340    H    VAL  41           H        VAL  41  10.918   4.235   5.515
  341    HA   VAL  41           HA       VAL  41  12.092   1.807   4.572
  342    HB   VAL  41           HB       VAL  41  10.047   2.118   6.772
  343   HG11  VAL  41          1HG1      VAL  41  10.456  -0.019   7.349
  344   HG12  VAL  41          2HG1      VAL  41  12.165   0.082   6.929
  345   HG13  VAL  41          3HG1      VAL  41  10.959  -0.172   5.666
  346   HG21  VAL  41          3HG2      VAL  41  11.743   2.580   8.300
  347   HG22  VAL  41          1HG2      VAL  41  12.171   3.569   6.906
  348   HG23  VAL  41          2HG2      VAL  41  13.013   2.049   7.199
  349    H    LEU  42           H        LEU  42   8.855   3.177   4.573
  350    HA   LEU  42           HA       LEU  42   7.435   0.875   3.820
  351    HB2  LEU  42           2HB      LEU  42   6.519   3.105   4.641
  352    HB3  LEU  42           1HB      LEU  42   6.724   3.684   2.999
  353    HG   LEU  42           HG       LEU  42   5.249   1.677   2.322
  354   HD11  LEU  42          1HD1      LEU  42   5.481   0.964   4.912
  355   HD12  LEU  42          2HD1      LEU  42   4.130   0.496   3.879
  356   HD13  LEU  42          3HD1      LEU  42   3.971   1.874   4.967
  357   HD21  LEU  42          3HD2      LEU  42   3.852   3.791   3.930
  358   HD22  LEU  42          1HD2      LEU  42   3.331   3.013   2.435
  359   HD23  LEU  42          2HD2      LEU  42   4.667   4.164   2.411
  360    H    VAL  43           H        VAL  43   8.756   3.509   1.818
  361    HA   VAL  43           HA       VAL  43   7.955   2.539  -0.666
  362    HB   VAL  43           HB       VAL  43  10.523   4.033  -0.136
  363   HG11  VAL  43          1HG1      VAL  43   8.899   4.559  -2.535
  364   HG12  VAL  43          2HG1      VAL  43   9.674   2.977  -2.467
  365   HG13  VAL  43          3HG1      VAL  43  10.648   4.441  -2.350
  366   HG21  VAL  43          3HG2      VAL  43   8.717   5.925  -0.887
  367   HG22  VAL  43          1HG2      VAL  43   9.184   5.588   0.779
  368   HG23  VAL  43          2HG2      VAL  43   7.721   4.865   0.109
  369    H    GLY  44           H        GLY  44  10.838   1.803   1.243
  370    HA2  GLY  44           2HA      GLY  44  12.235   0.331  -0.695
  371    HA3  GLY  44           1HA      GLY  44  12.410   0.142   1.044
  372    H    ASP  45           H        ASP  45  10.265  -0.953   1.989
  373    HA   ASP  45           HA       ASP  45  10.319  -3.615   1.078
  374    HB2  ASP  45           2HB      ASP  45   8.762  -2.080   3.091
  375    HB3  ASP  45           1HB      ASP  45   8.079  -3.613   2.555
  376    H    LEU  46           H        LEU  46   8.246  -0.913   0.322
  377    HA   LEU  46           HA       LEU  46   6.064  -2.259  -0.783
  378    HB2  LEU  46           2HB      LEU  46   7.241   0.447  -1.039
  379    HB3  LEU  46           1HB      LEU  46   6.146  -0.050  -2.317
  380    HG   LEU  46           HG       LEU  46   5.334  -0.275   0.563
  381   HD11  LEU  46          1HD1      LEU  46   5.304   2.171  -1.179
  382   HD12  LEU  46          2HD1      LEU  46   5.936   1.996   0.458
  383   HD13  LEU  46          3HD1      LEU  46   4.196   1.959   0.176
  384   HD21  LEU  46          3HD2      LEU  46   3.901  -1.417  -0.951
  385   HD22  LEU  46          1HD2      LEU  46   3.881  -0.048  -2.063
  386   HD23  LEU  46          2HD2      LEU  46   3.086   0.079  -0.494
  387    H    LYS  47           H        LYS  47   9.008  -1.051  -2.386
  388    HA   LYS  47           HA       LYS  47   8.311  -2.089  -4.938
  389    HB2  LYS  47           2HB      LYS  47  10.653  -0.777  -3.715
  390    HB3  LYS  47           1HB      LYS  47  11.018  -1.844  -5.062
  391    HG2  LYS  47           2HG      LYS  47   9.182  -0.567  -6.317
  392    HG3  LYS  47           1HG      LYS  47   9.341   0.635  -5.034
  393    HD2  LYS  47           2HD      LYS  47  11.694  -0.365  -6.618
  394    HD3  LYS  47           1HD      LYS  47  10.724   1.017  -7.129
  395    HE2  LYS  47           2HE      LYS  47  11.174   1.855  -4.693
  396    HE3  LYS  47           1HE      LYS  47  12.528   0.729  -4.766
  397    HZ1  LYS  47           3HZ      LYS  47  13.152   1.892  -6.896
  398    HZ2  LYS  47           1HZ      LYS  47  13.354   2.793  -5.477
  399    HZ3  LYS  47           2HZ      LYS  47  12.029   3.087  -6.485
  400    H    LEU  48           H        LEU  48  10.140  -3.328  -2.209
  401    HA   LEU  48           HA       LEU  48  11.414  -5.490  -3.399
  402    HB2  LEU  48           2HB      LEU  48  10.331  -5.097  -0.620
  403    HB3  LEU  48           1HB      LEU  48  11.212  -6.541  -1.081
  404    HG   LEU  48           HG       LEU  48  12.370  -3.775  -1.370
  405   HD11  LEU  48          1HD1      LEU  48  12.294  -3.740   0.883
  406   HD12  LEU  48          2HD1      LEU  48  13.689  -4.806   0.733
  407   HD13  LEU  48          3HD1      LEU  48  12.087  -5.486   1.013
  408   HD21  LEU  48          3HD2      LEU  48  13.358  -6.564  -1.690
  409   HD22  LEU  48          1HD2      LEU  48  14.474  -5.334  -1.098
  410   HD23  LEU  48          2HD2      LEU  48  13.685  -5.130  -2.662
  411    H    VAL  49           H        VAL  49   8.234  -5.453  -1.780
  412    HA   VAL  49           HA       VAL  49   7.611  -8.139  -2.413
  413    HB   VAL  49           HB       VAL  49   6.526  -6.554  -0.664
  414   HG11  VAL  49          1HG1      VAL  49   5.767  -4.835  -2.211
  415   HG12  VAL  49          2HG1      VAL  49   4.413  -5.554  -1.339
  416   HG13  VAL  49          3HG1      VAL  49   4.725  -6.010  -3.013
  417   HG21  VAL  49          3HG2      VAL  49   4.837  -8.459  -2.273
  418   HG22  VAL  49          1HG2      VAL  49   4.511  -7.927  -0.623
  419   HG23  VAL  49          2HG2      VAL  49   5.939  -8.901  -0.968
  420    H    ILE  50           H        ILE  50   6.729  -5.063  -3.906
  421    HA   ILE  50           HA       ILE  50   5.126  -6.117  -5.965
  422    HB   ILE  50           HB       ILE  50   6.697  -3.539  -5.840
  423   HG12  ILE  50          2HG1      ILE  50   4.923  -3.852  -4.129
  424   HG13  ILE  50          1HG1      ILE  50   4.591  -2.518  -5.230
  425   HG21  ILE  50          1HG2      ILE  50   4.643  -3.066  -7.573
  426   HG22  ILE  50          2HG2      ILE  50   5.114  -4.711  -8.003
  427   HG23  ILE  50          3HG2      ILE  50   6.308  -3.414  -8.043
  428   HD11  ILE  50          3HD1      ILE  50   2.989  -3.845  -6.429
  429   HD12  ILE  50          1HD1      ILE  50   2.610  -3.888  -4.707
  430   HD13  ILE  50          2HD1      ILE  50   3.398  -5.267  -5.471
  431    H    ASN  51           H        ASN  51   8.081  -4.399  -6.805
  432    HA   ASN  51           HA       ASN  51   9.757  -4.831  -8.270
  433    HB2  ASN  51           2HB      ASN  51   9.301  -7.335  -6.847
  434    HB3  ASN  51           1HB      ASN  51  10.010  -7.580  -8.439
  435   HD21  ASN  51          1HD2      ASN  51  10.417  -6.044  -5.328
  436   HD22  ASN  51          2HD2      ASN  51  12.124  -5.809  -5.450
  437    H    GLU  52           H        GLU  52   6.796  -5.036  -9.143
  438    HA   GLU  52           HA       GLU  52   7.439  -6.000 -11.825
  439    HB2  GLU  52           2HB      GLU  52   4.837  -6.754 -10.512
  440    HB3  GLU  52           1HB      GLU  52   5.482  -7.332 -12.039
  441    HG2  GLU  52           2HG      GLU  52   6.920  -7.858  -9.470
  442    HG3  GLU  52           1HG      GLU  52   5.574  -8.872  -9.984
  443    HA   PRO  53           HA       PRO  53   5.743  -1.947 -12.727
  444    HB2  PRO  53           2HB      PRO  53   5.473  -3.233 -15.405
  445    HB3  PRO  53           1HB      PRO  53   6.174  -1.668 -14.973
  446    HG2  PRO  53           2HG      PRO  53   7.743  -3.730 -15.573
  447    HG3  PRO  53           1HG      PRO  53   8.174  -2.608 -14.269
  448    HD2  PRO  53           2HD      PRO  53   7.082  -5.378 -14.104
  449    HD3  PRO  53           1HD      PRO  53   8.237  -4.554 -13.039
  450    H    SER  54           H        SER  54   4.229  -5.022 -13.399
  451    HA   SER  54           HA       SER  54   1.729  -4.033 -14.286
  452    HB2  SER  54           2HB      SER  54   2.391  -6.673 -12.963
  453    HB3  SER  54           1HB      SER  54   0.896  -6.306 -13.822
  454    HG   SER  54           HG       SER  54   3.345  -6.997 -14.804
  455    H    ARG  55           H        ARG  55   3.141  -4.469 -11.143
  456    HA   ARG  55           HA       ARG  55   0.583  -4.119  -9.793
  457    HB2  ARG  55           2HB      ARG  55   3.221  -4.207  -8.382
  458    HB3  ARG  55           1HB      ARG  55   1.647  -4.731  -7.811
  459    HG2  ARG  55           2HG      ARG  55   1.740  -6.722  -9.032
  460    HG3  ARG  55           1HG      ARG  55   3.050  -6.134 -10.058
  461    HD2  ARG  55           2HD      ARG  55   4.595  -6.870  -8.627
  462    HD3  ARG  55           1HD      ARG  55   3.807  -6.058  -7.278
  463    HE   ARG  55           HE       ARG  55   3.047  -8.094  -6.621
  464   HH11  ARG  55          1HH1      ARG  55   3.567  -8.212 -10.070
  465   HH12  ARG  55          2HH1      ARG  55   3.131  -9.882 -10.204
  466   HH21  ARG  55          1HH2      ARG  55   2.477 -10.291  -6.795
  467   HH22  ARG  55          2HH2      ARG  55   2.512 -11.063  -8.345
  468    H    LEU  56           H        LEU  56   3.088  -2.169 -10.987
  469    HA   LEU  56           HA       LEU  56   3.508  -0.178  -9.191
  470    HB2  LEU  56           2HB      LEU  56   3.340  -0.275 -12.137
  471    HB3  LEU  56           1HB      LEU  56   3.221   1.323 -11.424
  472    HG   LEU  56           HG       LEU  56   5.481  -0.586 -10.840
  473   HD11  LEU  56          1HD1      LEU  56   6.785   0.448 -12.480
  474   HD12  LEU  56          2HD1      LEU  56   5.637   1.768 -12.691
  475   HD13  LEU  56          3HD1      LEU  56   5.239   0.152 -13.274
  476   HD21  LEU  56          3HD2      LEU  56   5.088   1.136  -9.150
  477   HD22  LEU  56          1HD2      LEU  56   5.172   2.381 -10.398
  478   HD23  LEU  56          2HD2      LEU  56   6.599   1.418 -10.017
  479    HA   PRO  57           HA       PRO  57  -0.664   2.031 -10.679
  480    HB2  PRO  57           2HB      PRO  57  -2.199  -0.482 -11.117
  481    HB3  PRO  57           1HB      PRO  57  -2.295   1.059 -11.974
  482    HG2  PRO  57           2HG      PRO  57  -1.097  -1.044 -13.086
  483    HG3  PRO  57           1HG      PRO  57  -0.447   0.593 -13.293
  484    HD2  PRO  57           2HD      PRO  57   0.516  -1.624 -11.540
  485    HD3  PRO  57           1HD      PRO  57   1.445  -0.403 -12.432
  486    H    LEU  58           H        LEU  58  -0.278  -0.928  -8.878
  487    HA   LEU  58           HA       LEU  58  -2.497  -0.764  -7.180
  488    HB2  LEU  58           2HB      LEU  58  -0.870  -2.693  -7.482
  489    HB3  LEU  58           1HB      LEU  58   0.206  -1.834  -6.398
  490    HG   LEU  58           HG       LEU  58  -2.513  -2.206  -5.346
  491   HD11  LEU  58          1HD1      LEU  58  -1.885  -4.613  -4.715
  492   HD12  LEU  58          2HD1      LEU  58  -0.786  -4.539  -6.091
  493   HD13  LEU  58          3HD1      LEU  58  -2.518  -4.316  -6.335
  494   HD21  LEU  58          3HD2      LEU  58  -0.121  -1.494  -4.318
  495   HD22  LEU  58          1HD2      LEU  58  -0.134  -3.213  -3.934
  496   HD23  LEU  58          2HD2      LEU  58  -1.440  -2.172  -3.367
  497    H    PHE  59           H        PHE  59   0.677   0.746  -7.010
  498    HA   PHE  59           HA       PHE  59   0.738   1.655  -4.415
  499    HB2  PHE  59           2HB      PHE  59   1.762   2.831  -6.982
  500    HB3  PHE  59           1HB      PHE  59   1.974   3.688  -5.459
  501    HD1  PHE  59           2HD      PHE  59   2.615   0.405  -7.084
  502    HD2  PHE  59           1HD      PHE  59   3.781   3.201  -4.094
  503    HE1  PHE  59           2HE      PHE  59   4.616  -0.945  -6.606
  504    HE2  PHE  59           1HE      PHE  59   5.785   1.857  -3.613
  505    HZ   PHE  59           HZ       PHE  59   6.204  -0.220  -4.870
  506    H    ASP  60           H        ASP  60  -1.118   2.903  -7.116
  507    HA   ASP  60           HA       ASP  60  -1.874   5.380  -6.144
  508    HB2  ASP  60           2HB      ASP  60  -3.214   3.391  -7.938
  509    HB3  ASP  60           1HB      ASP  60  -4.074   4.848  -7.451
  510    H    ALA  61           H        ALA  61  -3.424   2.246  -5.609
  511    HA   ALA  61           HA       ALA  61  -5.453   3.283  -3.892
  512    HB1  ALA  61           1HB      ALA  61  -6.165   1.067  -3.618
  513    HB2  ALA  61           2HB      ALA  61  -4.562   0.417  -3.961
  514    HB3  ALA  61           3HB      ALA  61  -5.519   1.132  -5.257
  515    H    ILE  62           H        ILE  62  -2.159   2.442  -3.402
  516    HA   ILE  62           HA       ILE  62  -2.346   1.718  -0.649
  517    HB   ILE  62           HB       ILE  62   0.072   2.698  -2.167
  518   HG12  ILE  62          2HG1      ILE  62  -0.962  -0.106  -1.685
  519   HG13  ILE  62          1HG1      ILE  62  -0.905   0.730  -3.233
  520   HG21  ILE  62          1HG2      ILE  62   0.538   2.852   0.144
  521   HG22  ILE  62          2HG2      ILE  62   1.273   1.344  -0.398
  522   HG23  ILE  62          3HG2      ILE  62  -0.254   1.314   0.483
  523   HD11  ILE  62          3HD1      ILE  62   1.106  -0.111  -3.578
  524   HD12  ILE  62          1HD1      ILE  62   1.085  -0.868  -1.985
  525   HD13  ILE  62          2HD1      ILE  62   1.705   0.771  -2.175
  526    H    ARG  63           H        ARG  63  -1.519   4.745  -2.319
  527    HA   ARG  63           HA       ARG  63  -0.731   6.194  -0.070
  528    HB2  ARG  63           2HB      ARG  63  -2.073   8.042  -1.740
  529    HB3  ARG  63           1HB      ARG  63  -0.349   7.755  -1.605
  530    HG2  ARG  63           2HG      ARG  63  -0.307   6.377  -3.471
  531    HG3  ARG  63           1HG      ARG  63  -2.038   6.057  -3.394
  532    HD2  ARG  63           2HD      ARG  63  -1.181   8.865  -3.787
  533    HD3  ARG  63           1HD      ARG  63  -0.979   7.758  -5.144
  534    HE   ARG  63           HE       ARG  63  -3.496   7.271  -4.529
  535   HH11  ARG  63          1HH1      ARG  63  -1.848  10.345  -4.739
  536   HH12  ARG  63          2HH1      ARG  63  -3.277  11.219  -5.170
  537   HH21  ARG  63          1HH2      ARG  63  -5.371   8.424  -5.099
  538   HH22  ARG  63          2HH2      ARG  63  -5.276  10.131  -5.375
  539    HA   PRO  64           HA       PRO  64  -5.521   7.783  -0.027
  540    HB2  PRO  64           2HB      PRO  64  -6.390   4.937  -0.383
  541    HB3  PRO  64           1HB      PRO  64  -7.257   6.430  -0.767
  542    HG2  PRO  64           2HG      PRO  64  -6.020   5.041  -2.675
  543    HG3  PRO  64           1HG      PRO  64  -6.020   6.814  -2.684
  544    HD2  PRO  64           2HD      PRO  64  -3.818   4.936  -2.090
  545    HD3  PRO  64           1HD      PRO  64  -3.749   6.609  -2.670
  546    H    LEU  65           H        LEU  65  -4.874   4.429   1.098
  547    HA   LEU  65           HA       LEU  65  -6.157   4.837   3.585
  548    HB2  LEU  65           2HB      LEU  65  -4.787   2.754   4.255
  549    HB3  LEU  65           1HB      LEU  65  -6.026   2.607   3.025
  550    HG   LEU  65           HG       LEU  65  -3.400   3.216   1.915
  551   HD11  LEU  65          1HD1      LEU  65  -2.514   1.930   3.705
  552   HD12  LEU  65          2HD1      LEU  65  -2.553   0.888   2.282
  553   HD13  LEU  65          3HD1      LEU  65  -3.780   0.712   3.536
  554   HD21  LEU  65          3HD2      LEU  65  -5.355   0.971   1.446
  555   HD22  LEU  65          1HD2      LEU  65  -3.997   1.405   0.409
  556   HD23  LEU  65          2HD2      LEU  65  -5.351   2.520   0.602
  557    H    ILE  66           H        ILE  66  -3.016   5.658   2.457
  558    HA   ILE  66           HA       ILE  66  -1.784   5.771   5.045
  559    HB   ILE  66           HB       ILE  66  -0.833   5.764   2.445
  560   HG12  ILE  66          2HG1      ILE  66   1.308   6.555   4.101
  561   HG13  ILE  66          1HG1      ILE  66   0.187   5.677   5.136
  562   HG21  ILE  66          1HG2      ILE  66  -1.263   8.240   2.397
  563   HG22  ILE  66          2HG2      ILE  66   0.392   7.751   2.044
  564   HG23  ILE  66          3HG2      ILE  66  -0.014   8.405   3.630
  565   HD11  ILE  66          3HD1      ILE  66   0.206   3.878   3.333
  566   HD12  ILE  66          1HD1      ILE  66   1.651   4.058   4.329
  567   HD13  ILE  66          2HD1      ILE  66   1.621   4.716   2.692
  568    HA   PRO  67           HA       PRO  67  -3.057   9.636   6.709
  569    HB2  PRO  67           2HB      PRO  67  -0.141  10.282   6.837
  570    HB3  PRO  67           1HB      PRO  67  -1.378  10.417   8.092
  571    HG2  PRO  67           2HG      PRO  67   0.337   8.397   8.131
  572    HG3  PRO  67           1HG      PRO  67  -1.371   8.131   8.527
  573    HD2  PRO  67           2HD      PRO  67   0.129   7.440   6.043
  574    HD3  PRO  67           1HD      PRO  67  -1.200   6.572   6.840
  575    H    LEU  68           H        LEU  68  -3.191  11.872   6.251
  576    HA   LEU  68           HA       LEU  68  -3.243  12.603   3.595
  577    HB2  LEU  68           2HB      LEU  68  -2.729  14.992   5.036
  578    HB3  LEU  68           1HB      LEU  68  -4.255  14.397   4.422
  579    HG   LEU  68           HG       LEU  68  -4.513  13.114   6.582
  580   HD11  LEU  68          1HD1      LEU  68  -2.056  13.241   7.137
  581   HD12  LEU  68          2HD1      LEU  68  -3.158  13.651   8.452
  582   HD13  LEU  68          3HD1      LEU  68  -2.325  14.930   7.568
  583   HD21  LEU  68          3HD2      LEU  68  -5.883  14.915   6.620
  584   HD22  LEU  68          1HD2      LEU  68  -4.587  16.050   6.240
  585   HD23  LEU  68          2HD2      LEU  68  -4.765  15.432   7.882
  586    H    LYS  69           H        LYS  69  -0.986  14.254   5.788
  587    HA   LYS  69           HA       LYS  69   0.738  15.247   3.921
  588    HB2  LYS  69           2HB      LYS  69   2.503  15.129   5.730
  589    HB3  LYS  69           1HB      LYS  69   1.002  15.929   6.175
  590    HG2  LYS  69           2HG      LYS  69   0.283  13.721   7.185
  591    HG3  LYS  69           1HG      LYS  69   1.952  13.195   6.969
  592    HD2  LYS  69           2HD      LYS  69   1.058  15.604   8.550
  593    HD3  LYS  69           1HD      LYS  69   1.560  14.055   9.230
  594    HE2  LYS  69           2HE      LYS  69   3.303  15.803   7.501
  595    HE3  LYS  69           1HE      LYS  69   3.332  15.805   9.263
  596    HZ1  LYS  69           3HZ      LYS  69   4.093  13.606   7.433
  597    HZ2  LYS  69           1HZ      LYS  69   3.811  13.352   9.081
  598    HZ3  LYS  69           2HZ      LYS  69   5.055  14.384   8.585
  599    H    HIS  70           H        HIS  70   0.620  11.980   5.170
  600    HA   HIS  70           HA       HIS  70   3.108  11.119   4.121
  601    HB2  HIS  70           2HB      HIS  70   0.633   9.662   5.028
  602    HB3  HIS  70           1HB      HIS  70   2.023   8.804   4.373
  603    HD1  HIS  70           1HD      HIS  70   1.995   7.741   6.875
  604    HD2  HIS  70           2HD      HIS  70   3.156  11.716   6.535
  605    HE1  HIS  70           1HE      HIS  70   3.190   8.278   9.021
  606    HE2  HIS  70           2HE      HIS  70   3.802  10.715   8.831
  607    H    GLN  71           H        GLN  71  -0.162  11.241   2.827
  608    HA   GLN  71           HA       GLN  71   0.233   9.648   0.552
  609    HB2  GLN  71           2HB      GLN  71  -1.723  11.704   1.396
  610    HB3  GLN  71           1HB      GLN  71  -1.599  11.426  -0.335
  611    HG2  GLN  71           2HG      GLN  71  -1.801   8.908   0.388
  612    HG3  GLN  71           1HG      GLN  71  -2.551   9.616   1.819
  613   HE21  GLN  71          1HE2      GLN  71  -4.384  11.031   1.481
  614   HE22  GLN  71          2HE2      GLN  71  -5.433  10.751   0.137
  615    H    VAL  72           H        VAL  72   0.576  13.136   1.026
  616    HA   VAL  72           HA       VAL  72   1.292  13.821  -1.589
  617    HB   VAL  72           HB       VAL  72   2.280  15.170   0.927
  618   HG11  VAL  72          1HG1      VAL  72   3.424  16.310  -0.653
  619   HG12  VAL  72          2HG1      VAL  72   1.883  17.145  -0.852
  620   HG13  VAL  72          3HG1      VAL  72   2.324  15.834  -1.947
  621   HG21  VAL  72          3HG2      VAL  72   0.259  16.066   1.294
  622   HG22  VAL  72          1HG2      VAL  72  -0.349  14.742   0.302
  623   HG23  VAL  72          2HG2      VAL  72  -0.045  16.319  -0.424
  624    H    GLU  73           H        GLU  73   3.414  13.223   1.223
  625    HA   GLU  73           HA       GLU  73   5.824  13.393  -0.219
  626    HB2  GLU  73           2HB      GLU  73   5.700  13.547   2.240
  627    HB3  GLU  73           1HB      GLU  73   5.248  11.850   2.320
  628    HG2  GLU  73           2HG      GLU  73   7.392  11.352   2.491
  629    HG3  GLU  73           1HG      GLU  73   7.607  11.911   0.831
  630    H    TYR  74           H        TYR  74   3.671  10.685   0.454
  631    HA   TYR  74           HA       TYR  74   5.279   8.577  -0.372
  632    HB2  TYR  74           2HB      TYR  74   2.983   8.396   0.647
  633    HB3  TYR  74           1HB      TYR  74   2.315   8.822  -0.924
  634    HD1  TYR  74           1HD      TYR  74   2.899   7.293  -2.903
  635    HD2  TYR  74           2HD      TYR  74   3.475   6.174   1.161
  636    HE1  TYR  74           1HE      TYR  74   2.952   4.926  -3.567
  637    HE2  TYR  74           2HE      TYR  74   3.530   3.805   0.508
  638    HH   TYR  74           HH       TYR  74   2.629   2.405  -1.424
  639    H    ASP  75           H        ASP  75   3.301  10.808  -2.235
  640    HA   ASP  75           HA       ASP  75   3.823   9.583  -4.763
  641    HB2  ASP  75           2HB      ASP  75   2.526  12.103  -3.827
  642    HB3  ASP  75           1HB      ASP  75   3.050  12.018  -5.507
  643    H    GLN  76           H        GLN  76   5.352  12.066  -2.816
  644    HA   GLN  76           HA       GLN  76   6.988  13.179  -4.835
  645    HB2  GLN  76           2HB      GLN  76   7.326  13.043  -1.837
  646    HB3  GLN  76           1HB      GLN  76   8.392  13.957  -2.894
  647    HG2  GLN  76           2HG      GLN  76   5.426  14.401  -2.663
  648    HG3  GLN  76           1HG      GLN  76   6.654  15.329  -1.800
  649   HE21  GLN  76          1HE2      GLN  76   5.312  16.986  -3.065
  650   HE22  GLN  76          2HE2      GLN  76   5.940  17.437  -4.609
  651    H    LEU  77           H        LEU  77   7.298  10.353  -2.803
  652    HA   LEU  77           HA       LEU  77  10.049   9.905  -3.637
  653    HB2  LEU  77           2HB      LEU  77   8.288   8.138  -1.941
  654    HB3  LEU  77           1HB      LEU  77  10.029   8.032  -2.116
  655    HG   LEU  77           HG       LEU  77   8.814  10.538  -1.023
  656   HD11  LEU  77          1HD1      LEU  77   8.095   8.223   0.118
  657   HD12  LEU  77          2HD1      LEU  77   8.389   9.702   1.031
  658   HD13  LEU  77          3HD1      LEU  77   9.648   8.473   0.913
  659   HD21  LEU  77          3HD2      LEU  77  11.036  10.931  -1.194
  660   HD22  LEU  77          1HD2      LEU  77  11.458   9.221  -1.117
  661   HD23  LEU  77          2HD2      LEU  77  11.062  10.096   0.360
  662    H    THR  78           H        THR  78   6.828   8.722  -4.288
  663    HA   THR  78           HA       THR  78   7.917   6.680  -6.087
  664    HB   THR  78           HB       THR  78   5.686   5.690  -6.072
  665    HG1  THR  78           1HG      THR  78   4.082   6.602  -4.731
  666   HG21  THR  78          3HG2      THR  78   6.329   4.590  -4.269
  667   HG22  THR  78          1HG2      THR  78   5.586   5.851  -3.284
  668   HG23  THR  78          2HG2      THR  78   7.292   5.961  -3.721
  669    HA   PRO  79           HA       PRO  79   6.715   9.914  -9.100
  670    HB2  PRO  79           2HB      PRO  79   8.476   9.145 -11.010
  671    HB3  PRO  79           1HB      PRO  79   8.935  10.174  -9.648
  672    HG2  PRO  79           2HG      PRO  79   9.320   7.227 -10.011
  673    HG3  PRO  79           1HG      PRO  79  10.456   8.434  -9.378
  674    HD2  PRO  79           2HD      PRO  79   9.014   6.789  -7.772
  675    HD3  PRO  79           1HD      PRO  79   9.487   8.430  -7.288
  676    H    ARG  80           H        ARG  80   6.631   9.403 -11.725
  677    HA   ARG  80           HA       ARG  80   5.267   6.845 -12.118
  678    HB2  ARG  80           2HB      ARG  80   3.511   8.461 -11.531
  679    HB3  ARG  80           1HB      ARG  80   4.053   9.522 -12.823
  680    HG2  ARG  80           2HG      ARG  80   3.004   8.338 -14.412
  681    HG3  ARG  80           1HG      ARG  80   3.408   6.789 -13.671
  682    HD2  ARG  80           2HD      ARG  80   1.638   7.077 -12.039
  683    HD3  ARG  80           1HD      ARG  80   1.267   8.673 -12.691
  684    HE   ARG  80           HE       ARG  80   0.464   6.132 -13.764
  685   HH11  ARG  80          1HH1      ARG  80   1.083   9.483 -14.515
  686   HH12  ARG  80          2HH1      ARG  80   0.057   9.490 -15.909
  687   HH21  ARG  80          1HH2      ARG  80  -0.887   6.139 -15.597
  688   HH22  ARG  80          2HH2      ARG  80  -1.062   7.592 -16.525
  Start of MODEL   19
    1    H1   MET   1           1HT      MET   1 -18.063  -3.188   7.707
    2    H2   MET   1           2HT      MET   1 -16.450  -2.632   7.886
    3    H3   MET   1           3HT      MET   1 -16.938  -3.401   6.432
    4    HA   MET   1           HA       MET   1 -18.238  -1.644   5.783
    5    HB2  MET   1           2HB      MET   1 -18.250  -1.151   8.675
    6    HB3  MET   1           1HB      MET   1 -18.115   0.317   7.717
    7    HG2  MET   1           2HG      MET   1 -20.430  -0.192   8.238
    8    HG3  MET   1           1HG      MET   1 -20.135  -0.269   6.501
    9    HE1  MET   1           2HE      MET   1 -22.525  -1.299   6.568
   10    HE2  MET   1           3HE      MET   1 -22.731  -1.767   8.255
   11    HE3  MET   1           1HE      MET   1 -22.874  -2.977   6.982
   12    H    ASP   2           H        ASP   2 -16.984  -0.681   4.335
   13    HA   ASP   2           HA       ASP   2 -14.414   0.448   5.210
   14    HB2  ASP   2           2HB      ASP   2 -15.325  -0.412   2.456
   15    HB3  ASP   2           1HB      ASP   2 -13.753   0.290   2.824
   16    H    ARG   3           H        ARG   3 -13.795   2.521   4.574
   17    HA   ARG   3           HA       ARG   3 -15.830   4.455   4.482
   18    HB2  ARG   3           2HB      ARG   3 -12.864   4.512   4.086
   19    HB3  ARG   3           1HB      ARG   3 -13.809   5.943   3.702
   20    HG2  ARG   3           2HG      ARG   3 -14.791   5.489   6.119
   21    HG3  ARG   3           1HG      ARG   3 -13.228   4.696   6.327
   22    HD2  ARG   3           2HD      ARG   3 -12.054   6.648   6.110
   23    HD3  ARG   3           1HD      ARG   3 -13.281   7.400   5.091
   24    HE   ARG   3           HE       ARG   3 -14.296   8.215   6.973
   25   HH11  ARG   3          1HH1      ARG   3 -12.046   5.714   7.899
   26   HH12  ARG   3          2HH1      ARG   3 -12.207   6.022   9.595
   27   HH21  ARG   3          1HH2      ARG   3 -14.511   8.621   9.204
   28   HH22  ARG   3          2HH2      ARG   3 -13.607   7.672  10.337
   29    H    LYS   4           H        LYS   4 -13.336   4.168   1.966
   30    HA   LYS   4           HA       LYS   4 -15.336   3.963  -0.117
   31    HB2  LYS   4           2HB      LYS   4 -15.116   6.426   0.456
   32    HB3  LYS   4           1HB      LYS   4 -13.467   6.332  -0.148
   33    HG2  LYS   4           2HG      LYS   4 -14.973   5.214  -2.177
   34    HG3  LYS   4           1HG      LYS   4 -15.970   6.548  -1.593
   35    HD2  LYS   4           2HD      LYS   4 -14.714   7.847  -2.912
   36    HD3  LYS   4           1HD      LYS   4 -13.458   7.660  -1.686
   37    HE2  LYS   4           2HE      LYS   4 -12.309   7.025  -3.565
   38    HE3  LYS   4           1HE      LYS   4 -12.924   5.467  -3.019
   39    HZ1  LYS   4           3HZ      LYS   4 -13.629   7.015  -5.371
   40    HZ2  LYS   4           1HZ      LYS   4 -14.924   6.264  -4.579
   41    HZ3  LYS   4           2HZ      LYS   4 -13.622   5.340  -5.140
   42    H    VAL   5           H        VAL   5 -11.916   4.875   0.351
   43    HA   VAL   5           HA       VAL   5 -11.083   3.486  -2.011
   44    HB   VAL   5           HB       VAL   5  -9.258   4.363   0.218
   45   HG11  VAL   5          1HG1      VAL   5  -8.286   4.826  -2.427
   46   HG12  VAL   5          2HG1      VAL   5  -8.853   3.161  -2.302
   47   HG13  VAL   5          3HG1      VAL   5  -7.638   3.767  -1.176
   48   HG21  VAL   5          3HG2      VAL   5  -9.928   6.466  -0.079
   49   HG22  VAL   5          1HG2      VAL   5 -10.974   6.009  -1.424
   50   HG23  VAL   5          2HG2      VAL   5  -9.273   6.374  -1.713
   51    H    ALA   6           H        ALA   6 -11.402   2.686   1.355
   52    HA   ALA   6           HA       ALA   6  -9.646   0.539   1.570
   53    HB1  ALA   6           1HB      ALA   6 -11.571  -0.275   3.219
   54    HB2  ALA   6           2HB      ALA   6 -12.106   1.389   2.981
   55    HB3  ALA   6           3HB      ALA   6 -10.491   1.062   3.611
   56    H    ARG   7           H        ARG   7 -12.975   0.633   0.398
   57    HA   ARG   7           HA       ARG   7 -13.241  -2.162   0.020
   58    HB2  ARG   7           2HB      ARG   7 -15.179  -0.662   0.185
   59    HB3  ARG   7           1HB      ARG   7 -14.714   0.108  -1.327
   60    HG2  ARG   7           2HG      ARG   7 -14.893  -2.303  -2.292
   61    HG3  ARG   7           1HG      ARG   7 -15.879  -2.596  -0.858
   62    HD2  ARG   7           2HD      ARG   7 -17.050  -0.364  -1.641
   63    HD3  ARG   7           1HD      ARG   7 -16.402  -0.845  -3.209
   64    HE   ARG   7           HE       ARG   7 -17.961  -2.516  -3.299
   65   HH11  ARG   7          1HH1      ARG   7 -17.746  -1.361  -0.014
   66   HH12  ARG   7          2HH1      ARG   7 -19.106  -2.284   0.533
   67   HH21  ARG   7          1HH2      ARG   7 -19.749  -3.730  -2.584
   68   HH22  ARG   7          2HH2      ARG   7 -20.243  -3.630  -0.926
   69    H    GLU   8           H        GLU   8 -12.405   0.494  -2.158
   70    HA   GLU   8           HA       GLU   8 -12.107  -1.113  -4.474
   71    HB2  GLU   8           2HB      GLU   8 -12.425   1.410  -4.380
   72    HB3  GLU   8           1HB      GLU   8 -10.718   1.516  -3.967
   73    HG2  GLU   8           2HG      GLU   8 -11.312  -0.096  -6.343
   74    HG3  GLU   8           1HG      GLU   8 -11.711   1.615  -6.482
   75    H    PHE   9           H        PHE   9  -9.986  -0.265  -1.839
   76    HA   PHE   9           HA       PHE   9  -7.534  -0.952  -3.058
   77    HB2  PHE   9           2HB      PHE   9  -7.677   0.380  -0.990
   78    HB3  PHE   9           1HB      PHE   9  -8.291  -1.026  -0.127
   79    HD1  PHE   9           1HD      PHE   9  -5.522  -0.812  -2.596
   80    HD2  PHE   9           2HD      PHE   9  -6.657  -1.505   1.447
   81    HE1  PHE   9           1HE      PHE   9  -3.217  -1.491  -2.070
   82    HE2  PHE   9           2HE      PHE   9  -4.352  -2.185   1.981
   83    HZ   PHE   9           HZ       PHE   9  -2.630  -2.178   0.222
   84    H    ARG  10           H        ARG  10  -9.644  -2.806  -0.857
   85    HA   ARG  10           HA       ARG  10  -8.146  -5.175  -0.909
   86    HB2  ARG  10           2HB      ARG  10 -10.932  -4.439  -0.176
   87    HB3  ARG  10           1HB      ARG  10 -10.599  -6.144  -0.452
   88    HG2  ARG  10           2HG      ARG  10  -9.294  -6.335   1.395
   89    HG3  ARG  10           1HG      ARG  10  -8.738  -4.662   1.313
   90    HD2  ARG  10           2HD      ARG  10 -10.361  -3.953   2.671
   91    HD3  ARG  10           1HD      ARG  10 -11.595  -4.861   1.802
   92    HE   ARG  10           HE       ARG  10  -9.928  -6.495   3.476
   93   HH11  ARG  10          1HH1      ARG  10 -12.775  -4.478   3.378
   94   HH12  ARG  10          2HH1      ARG  10 -13.511  -5.237   4.748
   95   HH21  ARG  10          1HH2      ARG  10 -10.896  -7.494   5.279
   96   HH22  ARG  10          2HH2      ARG  10 -12.446  -6.949   5.828
   97    H    HIS  11           H        HIS  11 -10.811  -4.061  -2.950
   98    HA   HIS  11           HA       HIS  11 -11.040  -6.460  -4.449
   99    HB2  HIS  11           2HB      HIS  11 -11.977  -3.636  -4.897
  100    HB3  HIS  11           1HB      HIS  11 -12.239  -4.894  -6.101
  101    HD1  HIS  11           1HD      HIS  11 -14.733  -5.148  -5.888
  102    HD2  HIS  11           2HD      HIS  11 -12.771  -5.436  -2.236
  103    HE1  HIS  11           1HE      HIS  11 -16.479  -5.905  -4.244
  104    HE2  HIS  11           2HE      HIS  11 -15.282  -6.023  -2.030
  105    H    LYS  12           H        LYS  12  -9.409  -3.364  -5.124
  106    HA   LYS  12           HA       LYS  12  -8.468  -4.120  -7.674
  107    HB2  LYS  12           2HB      LYS  12  -7.104  -2.160  -7.614
  108    HB3  LYS  12           1HB      LYS  12  -8.628  -1.769  -6.835
  109    HG2  LYS  12           2HG      LYS  12  -7.510  -1.031  -5.078
  110    HG3  LYS  12           1HG      LYS  12  -6.897  -2.661  -4.806
  111    HD2  LYS  12           2HD      LYS  12  -5.039  -1.139  -4.958
  112    HD3  LYS  12           1HD      LYS  12  -5.045  -2.182  -6.380
  113    HE2  LYS  12           2HE      LYS  12  -6.601   0.227  -6.799
  114    HE3  LYS  12           1HE      LYS  12  -4.935   0.592  -6.351
  115    HZ1  LYS  12           3HZ      LYS  12  -4.298  -1.069  -8.129
  116    HZ2  LYS  12           1HZ      LYS  12  -4.933   0.403  -8.667
  117    HZ3  LYS  12           2HZ      LYS  12  -5.901  -0.982  -8.660
  118    H    VAL  13           H        VAL  13  -7.164  -4.563  -4.443
  119    HA   VAL  13           HA       VAL  13  -4.545  -5.304  -5.220
  120    HB   VAL  13           HB       VAL  13  -6.130  -5.975  -2.736
  121   HG11  VAL  13          1HG1      VAL  13  -3.258  -6.577  -3.412
  122   HG12  VAL  13          2HG1      VAL  13  -4.518  -7.712  -2.931
  123   HG13  VAL  13          3HG1      VAL  13  -3.882  -6.555  -1.762
  124   HG21  VAL  13          3HG2      VAL  13  -3.747  -4.235  -2.665
  125   HG22  VAL  13          1HG2      VAL  13  -5.277  -4.103  -1.798
  126   HG23  VAL  13          2HG2      VAL  13  -5.168  -3.580  -3.479
  127    H    ASP  14           H        ASP  14  -7.416  -7.251  -4.407
  128    HA   ASP  14           HA       ASP  14  -6.262  -9.762  -4.881
  129    HB2  ASP  14           2HB      ASP  14  -9.022  -8.693  -4.661
  130    HB3  ASP  14           1HB      ASP  14  -8.846 -10.244  -5.479
  131    H    PHE  15           H        PHE  15  -7.723  -7.416  -7.033
  132    HA   PHE  15           HA       PHE  15  -7.926  -9.108  -9.303
  133    HB2  PHE  15           2HB      PHE  15  -8.437  -6.343  -8.657
  134    HB3  PHE  15           1HB      PHE  15  -7.605  -6.457 -10.203
  135    HD1  PHE  15           1HD      PHE  15  -8.579  -8.382 -11.778
  136    HD2  PHE  15           2HD      PHE  15 -10.723  -6.401  -8.681
  137    HE1  PHE  15           1HE      PHE  15 -10.698  -8.969 -12.876
  138    HE2  PHE  15           2HE      PHE  15 -12.848  -6.986  -9.775
  139    HZ   PHE  15           HZ       PHE  15 -12.839  -8.272 -11.875
  140    H    LEU  16           H        LEU  16  -5.534  -6.641  -8.368
  141    HA   LEU  16           HA       LEU  16  -3.819  -7.190 -10.579
  142    HB2  LEU  16           2HB      LEU  16  -3.003  -5.829  -8.027
  143    HB3  LEU  16           1HB      LEU  16  -2.329  -5.614  -9.632
  144    HG   LEU  16           HG       LEU  16  -5.188  -4.930  -9.357
  145   HD11  LEU  16          1HD1      LEU  16  -4.017  -4.124  -7.227
  146   HD12  LEU  16          2HD1      LEU  16  -4.919  -2.940  -8.171
  147   HD13  LEU  16          3HD1      LEU  16  -3.160  -3.001  -8.282
  148   HD21  LEU  16          3HD2      LEU  16  -4.169  -4.533 -11.451
  149   HD22  LEU  16          1HD2      LEU  16  -2.775  -3.748 -10.706
  150   HD23  LEU  16          2HD2      LEU  16  -4.350  -2.953 -10.685
  151    H    ILE  17           H        ILE  17  -3.185  -7.575  -7.104
  152    HA   ILE  17           HA       ILE  17  -1.059  -9.424  -7.565
  153    HB   ILE  17           HB       ILE  17  -2.462  -8.942  -4.942
  154   HG12  ILE  17          2HG1      ILE  17  -0.171  -7.398  -6.179
  155   HG13  ILE  17          1HG1      ILE  17  -1.803  -6.789  -5.920
  156   HG21  ILE  17          1HG2      ILE  17  -0.749 -10.017  -3.941
  157   HG22  ILE  17          2HG2      ILE  17   0.442  -9.430  -5.103
  158   HG23  ILE  17          3HG2      ILE  17  -0.601 -10.792  -5.520
  159   HD11  ILE  17          3HD1      ILE  17   0.362  -6.576  -4.200
  160   HD12  ILE  17          1HD1      ILE  17  -0.674  -7.804  -3.472
  161   HD13  ILE  17          2HD1      ILE  17  -1.324  -6.207  -3.839
  162    H    GLU  18           H        GLU  18  -3.976  -9.913  -5.602
  163    HA   GLU  18           HA       GLU  18  -5.444 -11.652  -5.459
  164    HB2  GLU  18           2HB      GLU  18  -4.889 -11.669  -8.084
  165    HB3  GLU  18           1HB      GLU  18  -4.206 -13.229  -7.646
  166    HG2  GLU  18           2HG      GLU  18  -6.876 -12.735  -6.556
  167    HG3  GLU  18           1HG      GLU  18  -6.802 -12.782  -8.316
  168    H    ASN  19           H        ASN  19  -2.231 -11.792  -4.894
  169    HA   ASN  19           HA       ASN  19  -2.186 -14.616  -4.154
  170    HB2  ASN  19           2HB      ASN  19  -0.252 -13.001  -5.259
  171    HB3  ASN  19           1HB      ASN  19   0.209 -13.031  -3.558
  172   HD21  ASN  19          1HD2      ASN  19   0.688 -15.034  -2.582
  173   HD22  ASN  19          2HD2      ASN  19   1.166 -16.395  -3.532
  174    H    ASP  20           H        ASP  20  -2.591 -15.240  -2.142
  175    HA   ASP  20           HA       ASP  20  -3.264 -13.440  -0.089
  176    HB2  ASP  20           2HB      ASP  20  -4.033 -15.841  -0.322
  177    HB3  ASP  20           1HB      ASP  20  -2.456 -16.324   0.298
  178    H    ALA  21           H        ALA  21  -0.300 -15.192  -0.812
  179    HA   ALA  21           HA       ALA  21   1.059 -14.564   1.588
  180    HB1  ALA  21           1HB      ALA  21   3.085 -15.247   0.393
  181    HB2  ALA  21           2HB      ALA  21   2.184 -15.249  -1.124
  182    HB3  ALA  21           3HB      ALA  21   1.768 -16.396   0.150
  183    H    GLU  22           H        GLU  22   0.963 -13.027  -1.589
  184    HA   GLU  22           HA       GLU  22   2.875 -11.024  -1.034
  185    HB2  GLU  22           2HB      GLU  22   0.626 -11.149  -3.043
  186    HB3  GLU  22           1HB      GLU  22   1.791  -9.833  -2.981
  187    HG2  GLU  22           2HG      GLU  22   3.506 -11.851  -3.096
  188    HG3  GLU  22           1HG      GLU  22   2.132 -12.634  -3.878
  189    H    LYS  23           H        LYS  23  -0.627 -11.158  -0.687
  190    HA   LYS  23           HA       LYS  23  -0.985  -8.441   0.030
  191    HB2  LYS  23           2HB      LYS  23  -2.665 -10.904   0.507
  192    HB3  LYS  23           1HB      LYS  23  -3.174  -9.293   0.995
  193    HG2  LYS  23           2HG      LYS  23  -3.065  -8.554  -1.333
  194    HG3  LYS  23           1HG      LYS  23  -2.561 -10.174  -1.820
  195    HD2  LYS  23           2HD      LYS  23  -4.938 -10.351  -0.227
  196    HD3  LYS  23           1HD      LYS  23  -5.187  -9.183  -1.526
  197    HE2  LYS  23           2HE      LYS  23  -5.131 -10.763  -3.128
  198    HE3  LYS  23           1HE      LYS  23  -3.838 -11.662  -2.336
  199    HZ1  LYS  23           3HZ      LYS  23  -6.422 -11.728  -1.012
  200    HZ2  LYS  23           1HZ      LYS  23  -5.292 -12.965  -1.247
  201    HZ3  LYS  23           2HZ      LYS  23  -6.344 -12.529  -2.498
  202    H    ASP  24           H        ASP  24  -0.258 -11.353   1.854
  203    HA   ASP  24           HA       ASP  24  -0.680 -10.234   4.429
  204    HB2  ASP  24           2HB      ASP  24   0.565 -12.698   3.338
  205    HB3  ASP  24           1HB      ASP  24   1.096 -12.196   4.942
  206    H    TYR  25           H        TYR  25   2.047 -10.393   2.236
  207    HA   TYR  25           HA       TYR  25   4.025  -9.485   4.049
  208    HB2  TYR  25           2HB      TYR  25   4.142 -10.533   1.584
  209    HB3  TYR  25           1HB      TYR  25   4.276  -8.831   1.158
  210    HD1  TYR  25           2HD      TYR  25   5.940  -7.622   3.100
  211    HD2  TYR  25           1HD      TYR  25   6.194 -11.567   1.528
  212    HE1  TYR  25           2HE      TYR  25   8.338  -7.676   3.638
  213    HE2  TYR  25           1HE      TYR  25   8.592 -11.632   2.061
  214    HH   TYR  25           HH       TYR  25  10.450  -9.945   2.401
  215    H    LEU  26           H        LEU  26   2.171  -7.788   1.521
  216    HA   LEU  26           HA       LEU  26   3.182  -5.227   2.085
  217    HB2  LEU  26           2HB      LEU  26   1.264  -4.382   0.813
  218    HB3  LEU  26           1HB      LEU  26   2.064  -5.708  -0.008
  219    HG   LEU  26           HG       LEU  26   0.234  -7.198   1.024
  220   HD11  LEU  26          1HD1      LEU  26  -1.852  -5.388   1.023
  221   HD12  LEU  26          2HD1      LEU  26  -0.585  -4.564   1.933
  222   HD13  LEU  26          3HD1      LEU  26  -1.139  -6.160   2.439
  223   HD21  LEU  26          3HD2      LEU  26  -1.302  -6.658  -0.825
  224   HD22  LEU  26          1HD2      LEU  26   0.382  -6.724  -1.345
  225   HD23  LEU  26          2HD2      LEU  26  -0.408  -5.165  -1.110
  226    H    TYR  27           H        TYR  27   0.628  -7.113   3.526
  227    HA   TYR  27           HA       TYR  27  -0.671  -5.003   4.900
  228    HB2  TYR  27           2HB      TYR  27  -0.896  -7.865   4.728
  229    HB3  TYR  27           1HB      TYR  27  -0.954  -7.372   6.416
  230    HD1  TYR  27           1HD      TYR  27  -2.770  -5.962   7.241
  231    HD2  TYR  27           2HD      TYR  27  -2.656  -7.247   3.186
  232    HE1  TYR  27           1HE      TYR  27  -5.129  -5.323   6.978
  233    HE2  TYR  27           2HE      TYR  27  -5.015  -6.611   2.912
  234    HH   TYR  27           HH       TYR  27  -6.703  -4.755   5.256
  235    H    ASP  28           H        ASP  28   1.950  -7.200   5.749
  236    HA   ASP  28           HA       ASP  28   2.220  -6.391   8.441
  237    HB2  ASP  28           2HB      ASP  28   3.841  -7.932   6.493
  238    HB3  ASP  28           1HB      ASP  28   4.722  -7.216   7.840
  239    H    VAL  29           H        VAL  29   3.702  -5.268   5.437
  240    HA   VAL  29           HA       VAL  29   5.574  -3.503   6.541
  241    HB   VAL  29           HB       VAL  29   4.110  -3.094   3.934
  242   HG11  VAL  29          1HG1      VAL  29   6.013  -1.853   3.244
  243   HG12  VAL  29          2HG1      VAL  29   6.927  -2.337   4.672
  244   HG13  VAL  29          3HG1      VAL  29   5.554  -1.243   4.834
  245   HG21  VAL  29          3HG2      VAL  29   4.903  -5.130   3.411
  246   HG22  VAL  29          1HG2      VAL  29   6.047  -5.141   4.753
  247   HG23  VAL  29          2HG2      VAL  29   6.450  -4.297   3.258
  248    H    LEU  30           H        LEU  30   2.216  -2.963   5.520
  249    HA   LEU  30           HA       LEU  30   2.146  -0.206   6.116
  250    HB2  LEU  30           2HB      LEU  30   0.092  -2.330   5.688
  251    HB3  LEU  30           1HB      LEU  30  -0.416  -0.788   6.349
  252    HG   LEU  30           HG       LEU  30   1.213  -0.820   3.845
  253   HD11  LEU  30          1HD1      LEU  30  -0.445  -1.516   2.487
  254   HD12  LEU  30          2HD1      LEU  30  -1.715  -0.864   3.523
  255   HD13  LEU  30          3HD1      LEU  30  -0.957  -2.405   3.923
  256   HD21  LEU  30          3HD2      LEU  30   0.720   1.301   4.955
  257   HD22  LEU  30          1HD2      LEU  30  -1.006   0.951   4.864
  258   HD23  LEU  30          2HD2      LEU  30  -0.077   1.197   3.386
  259    H    ARG  31           H        ARG  31   1.229  -3.067   8.002
  260    HA   ARG  31           HA       ARG  31   0.199  -1.755  10.241
  261    HB2  ARG  31           2HB      ARG  31   1.426  -4.446   9.787
  262    HB3  ARG  31           1HB      ARG  31   1.076  -3.926  11.430
  263    HG2  ARG  31           2HG      ARG  31  -1.270  -3.357  10.209
  264    HG3  ARG  31           1HG      ARG  31  -0.740  -4.761   9.281
  265    HD2  ARG  31           2HD      ARG  31  -0.258  -5.774  11.639
  266    HD3  ARG  31           1HD      ARG  31  -1.390  -4.539  12.189
  267    HE   ARG  31           HE       ARG  31  -2.022  -6.948  10.797
  268   HH11  ARG  31          1HH1      ARG  31  -3.025  -3.640  11.268
  269   HH12  ARG  31          2HH1      ARG  31  -4.682  -3.954  10.874
  270   HH21  ARG  31          1HH2      ARG  31  -4.202  -7.365  10.279
  271   HH22  ARG  31          2HH2      ARG  31  -5.351  -6.070  10.313
  272    H    MET  32           H        MET  32   3.505  -2.612   9.395
  273    HA   MET  32           HA       MET  32   4.584  -1.712  11.908
  274    HB2  MET  32           2HB      MET  32   5.644  -2.902   9.414
  275    HB3  MET  32           1HB      MET  32   6.749  -1.852  10.291
  276    HG2  MET  32           2HG      MET  32   6.093  -3.262  12.348
  277    HG3  MET  32           1HG      MET  32   5.504  -4.425  11.159
  278    HE1  MET  32           3HE      MET  32   9.529  -4.181  12.829
  279    HE2  MET  32           1HE      MET  32   7.983  -3.545  13.390
  280    HE3  MET  32           2HE      MET  32   9.017  -2.560  12.355
  281    H    TYR  33           H        TYR  33   4.063  -0.389   8.719
  282    HA   TYR  33           HA       TYR  33   5.744   1.863   8.920
  283    HB2  TYR  33           2HB      TYR  33   4.902   1.200   6.767
  284    HB3  TYR  33           1HB      TYR  33   3.235   1.372   7.306
  285    HD1  TYR  33           2HD      TYR  33   6.262   3.575   7.403
  286    HD2  TYR  33           1HD      TYR  33   2.184   3.138   6.277
  287    HE1  TYR  33           2HE      TYR  33   6.244   5.894   6.587
  288    HE2  TYR  33           1HE      TYR  33   2.155   5.457   5.458
  289    HH   TYR  33           HH       TYR  33   4.618   7.684   6.157
  290    H    HIS  34           H        HIS  34   2.541   1.187  10.123
  291    HA   HIS  34           HA       HIS  34   1.804   3.878  10.675
  292    HB2  HIS  34           2HB      HIS  34   0.295   1.788  10.511
  293    HB3  HIS  34           1HB      HIS  34   0.757   1.494  12.184
  294    HD1  HIS  34           1HD      HIS  34  -1.925   2.850  10.429
  295    HD2  HIS  34           2HD      HIS  34   0.302   4.196  13.670
  296    HE1  HIS  34           1HE      HIS  34  -3.379   4.545  11.586
  297    HE2  HIS  34           2HE      HIS  34  -2.043   5.285  13.590
  298    H    GLN  35           H        GLN  35   3.139   1.268  12.686
  299    HA   GLN  35           HA       GLN  35   3.325   2.908  15.022
  300    HB2  GLN  35           2HB      GLN  35   4.151   0.148  14.269
  301    HB3  GLN  35           1HB      GLN  35   4.953   0.894  15.644
  302    HG2  GLN  35           2HG      GLN  35   2.803   1.252  16.724
  303    HG3  GLN  35           1HG      GLN  35   1.980   0.540  15.337
  304   HE21  GLN  35          1HE2      GLN  35   2.109  -1.679  14.996
  305   HE22  GLN  35          2HE2      GLN  35   2.624  -2.771  16.233
  306    H    THR  36           H        THR  36   5.533   1.925  12.469
  307    HA   THR  36           HA       THR  36   7.835   3.110  13.718
  308    HB   THR  36           HB       THR  36   8.996   2.554  11.643
  309    HG1  THR  36           1HG      THR  36   7.882   1.742   9.896
  310   HG21  THR  36          3HG2      THR  36   7.240   0.481  12.852
  311   HG22  THR  36          1HG2      THR  36   8.995   0.641  12.896
  312   HG23  THR  36          2HG2      THR  36   8.197   0.085  11.424
  313    H    MET  37           H        MET  37   5.591   3.998  11.138
  314    HA   MET  37           HA       MET  37   5.133   5.983  10.131
  315    HB2  MET  37           2HB      MET  37   5.921   6.648  12.809
  316    HB3  MET  37           1HB      MET  37   6.501   7.893  11.712
  317    HG2  MET  37           2HG      MET  37   4.482   8.790  11.823
  318    HG3  MET  37           1HG      MET  37   3.904   7.417  10.880
  319    HE1  MET  37           3HE      MET  37   1.004   6.847  13.126
  320    HE2  MET  37           1HE      MET  37   1.797   6.213  11.685
  321    HE3  MET  37           2HE      MET  37   1.533   7.948  11.855
  322    H    ASP  38           H        ASP  38   7.551   4.494   9.476
  323    HA   ASP  38           HA       ASP  38   9.372   6.646   8.649
  324    HB2  ASP  38           2HB      ASP  38   9.716   3.679   8.994
  325    HB3  ASP  38           1HB      ASP  38  10.846   4.608   8.015
  326    H    VAL  39           H        VAL  39   8.536   7.477   6.802
  327    HA   VAL  39           HA       VAL  39   7.158   6.075   4.817
  328    HB   VAL  39           HB       VAL  39   8.835   8.531   4.311
  329   HG11  VAL  39          1HG1      VAL  39   6.423   7.311   3.000
  330   HG12  VAL  39          2HG1      VAL  39   7.982   7.718   2.282
  331   HG13  VAL  39          3HG1      VAL  39   6.869   9.000   2.757
  332   HG21  VAL  39          3HG2      VAL  39   6.260   9.397   4.807
  333   HG22  VAL  39          1HG2      VAL  39   7.638   9.556   5.895
  334   HG23  VAL  39          2HG2      VAL  39   6.537   8.189   6.061
  335    H    ALA  40           H        ALA  40  10.602   6.782   5.167
  336    HA   ALA  40           HA       ALA  40  11.462   5.907   2.654
  337    HB1  ALA  40           1HB      ALA  40  13.605   5.328   4.145
  338    HB2  ALA  40           2HB      ALA  40  12.732   6.352   5.286
  339    HB3  ALA  40           3HB      ALA  40  13.165   6.976   3.695
  340    H    VAL  41           H        VAL  41  10.813   4.133   5.623
  341    HA   VAL  41           HA       VAL  41  11.879   1.653   4.690
  342    HB   VAL  41           HB       VAL  41   9.868   2.065   6.904
  343   HG11  VAL  41          1HG1      VAL  41  10.517  -0.043   7.717
  344   HG12  VAL  41          2HG1      VAL  41  11.932  -0.107   6.668
  345   HG13  VAL  41          3HG1      VAL  41  10.315  -0.268   5.979
  346   HG21  VAL  41          3HG2      VAL  41  12.825   1.855   7.330
  347   HG22  VAL  41          1HG2      VAL  41  11.583   2.492   8.409
  348   HG23  VAL  41          2HG2      VAL  41  12.075   3.414   6.988
  349    H    LEU  42           H        LEU  42   8.700   3.147   4.707
  350    HA   LEU  42           HA       LEU  42   7.238   0.856   3.914
  351    HB2  LEU  42           2HB      LEU  42   6.145   2.768   4.933
  352    HB3  LEU  42           1HB      LEU  42   6.628   3.793   3.596
  353    HG   LEU  42           HG       LEU  42   5.233   2.262   2.107
  354   HD11  LEU  42          1HD1      LEU  42   4.674   1.132   4.777
  355   HD12  LEU  42          2HD1      LEU  42   4.670   0.361   3.190
  356   HD13  LEU  42          3HD1      LEU  42   3.294   1.337   3.701
  357   HD21  LEU  42          3HD2      LEU  42   3.772   3.932   2.200
  358   HD22  LEU  42          1HD2      LEU  42   4.571   4.500   3.666
  359   HD23  LEU  42          2HD2      LEU  42   3.197   3.400   3.780
  360    H    VAL  43           H        VAL  43   8.620   3.569   2.089
  361    HA   VAL  43           HA       VAL  43   7.692   2.820  -0.446
  362    HB   VAL  43           HB       VAL  43  10.293   4.239   0.130
  363   HG11  VAL  43          1HG1      VAL  43   8.452   4.488  -2.241
  364   HG12  VAL  43          2HG1      VAL  43   9.875   3.449  -2.204
  365   HG13  VAL  43          3HG1      VAL  43  10.056   5.196  -2.046
  366   HG21  VAL  43          3HG2      VAL  43   7.994   5.905  -0.517
  367   HG22  VAL  43          1HG2      VAL  43   9.205   6.089   0.751
  368   HG23  VAL  43          2HG2      VAL  43   7.809   5.041   1.008
  369    H    GLY  44           H        GLY  44  10.781   2.100   1.171
  370    HA2  GLY  44           2HA      GLY  44  11.968   0.655  -0.904
  371    HA3  GLY  44           1HA      GLY  44  12.332   0.449   0.803
  372    H    ASP  45           H        ASP  45  10.231  -0.657   1.922
  373    HA   ASP  45           HA       ASP  45  10.298  -3.330   1.088
  374    HB2  ASP  45           2HB      ASP  45   9.382  -1.975   3.313
  375    HB3  ASP  45           1HB      ASP  45   7.902  -2.619   2.612
  376    H    LEU  46           H        LEU  46   8.165  -0.703   0.240
  377    HA   LEU  46           HA       LEU  46   6.062  -2.250  -0.850
  378    HB2  LEU  46           2HB      LEU  46   6.867   0.572  -0.825
  379    HB3  LEU  46           1HB      LEU  46   5.983   0.094  -2.262
  380    HG   LEU  46           HG       LEU  46   4.924  -0.540   0.474
  381   HD11  LEU  46          1HD1      LEU  46   4.130   1.927  -1.020
  382   HD12  LEU  46          2HD1      LEU  46   5.483   1.953   0.109
  383   HD13  LEU  46          3HD1      LEU  46   3.870   1.516   0.675
  384   HD21  LEU  46          3HD2      LEU  46   2.783  -0.510  -0.711
  385   HD22  LEU  46          1HD2      LEU  46   3.903  -1.667  -1.430
  386   HD23  LEU  46          2HD2      LEU  46   3.618  -0.112  -2.211
  387    H    LYS  47           H        LYS  47   9.046  -0.950  -2.197
  388    HA   LYS  47           HA       LYS  47   8.438  -1.633  -4.900
  389    HB2  LYS  47           2HB      LYS  47  11.127  -1.121  -3.614
  390    HB3  LYS  47           1HB      LYS  47  10.795  -1.138  -5.342
  391    HG2  LYS  47           2HG      LYS  47   9.009   0.708  -4.535
  392    HG3  LYS  47           1HG      LYS  47  10.279   0.947  -3.334
  393    HD2  LYS  47           2HD      LYS  47  11.921   1.151  -5.181
  394    HD3  LYS  47           1HD      LYS  47  10.591   1.032  -6.334
  395    HE2  LYS  47           2HE      LYS  47  10.940   3.326  -6.135
  396    HE3  LYS  47           1HE      LYS  47   9.581   3.021  -5.056
  397    HZ1  LYS  47           3HZ      LYS  47  11.419   2.782  -3.282
  398    HZ2  LYS  47           1HZ      LYS  47  10.960   4.333  -3.783
  399    HZ3  LYS  47           2HZ      LYS  47  12.380   3.635  -4.381
  400    H    LEU  48           H        LEU  48  10.362  -3.151  -2.339
  401    HA   LEU  48           HA       LEU  48  11.419  -5.277  -3.780
  402    HB2  LEU  48           2HB      LEU  48  10.572  -5.153  -0.888
  403    HB3  LEU  48           1HB      LEU  48  11.522  -6.455  -1.579
  404    HG   LEU  48           HG       LEU  48  12.582  -3.712  -1.948
  405   HD11  LEU  48          1HD1      LEU  48  12.085  -4.936   0.693
  406   HD12  LEU  48          2HD1      LEU  48  12.243  -3.240   0.236
  407   HD13  LEU  48          3HD1      LEU  48  13.683  -4.239   0.431
  408   HD21  LEU  48          3HD2      LEU  48  14.681  -4.811  -1.731
  409   HD22  LEU  48          1HD2      LEU  48  13.667  -5.825  -2.758
  410   HD23  LEU  48          2HD2      LEU  48  13.924  -6.259  -1.068
  411    H    VAL  49           H        VAL  49   8.415  -5.229  -1.850
  412    HA   VAL  49           HA       VAL  49   7.603  -7.836  -2.501
  413    HB   VAL  49           HB       VAL  49   6.677  -6.201  -0.707
  414   HG11  VAL  49          1HG1      VAL  49   5.935  -4.444  -2.216
  415   HG12  VAL  49          2HG1      VAL  49   4.584  -5.100  -1.295
  416   HG13  VAL  49          3HG1      VAL  49   4.808  -5.565  -2.980
  417   HG21  VAL  49          3HG2      VAL  49   5.061  -7.727  -0.290
  418   HG22  VAL  49          1HG2      VAL  49   5.888  -8.604  -1.577
  419   HG23  VAL  49          2HG2      VAL  49   4.433  -7.674  -1.938
  420    H    ILE  50           H        ILE  50   6.822  -4.720  -3.954
  421    HA   ILE  50           HA       ILE  50   5.118  -5.755  -5.969
  422    HB   ILE  50           HB       ILE  50   6.622  -3.139  -5.820
  423   HG12  ILE  50          2HG1      ILE  50   4.869  -3.669  -4.066
  424   HG13  ILE  50          1HG1      ILE  50   4.623  -2.185  -4.977
  425   HG21  ILE  50          1HG2      ILE  50   6.105  -2.862  -7.967
  426   HG22  ILE  50          2HG2      ILE  50   4.422  -2.757  -7.452
  427   HG23  ILE  50          3HG2      ILE  50   5.087  -4.301  -7.985
  428   HD11  ILE  50          3HD1      ILE  50   3.279  -4.759  -5.721
  429   HD12  ILE  50          1HD1      ILE  50   2.867  -3.120  -6.219
  430   HD13  ILE  50          2HD1      ILE  50   2.592  -3.631  -4.554
  431    H    ASN  51           H        ASN  51   7.944  -3.896  -6.893
  432    HA   ASN  51           HA       ASN  51   9.547  -4.196  -8.467
  433    HB2  ASN  51           2HB      ASN  51   9.402  -6.716  -6.973
  434    HB3  ASN  51           1HB      ASN  51  10.133  -6.873  -8.568
  435   HD21  ASN  51          1HD2      ASN  51  11.295  -7.073  -5.873
  436   HD22  ASN  51          2HD2      ASN  51  12.592  -5.933  -5.841
  437    H    GLU  52           H        GLU  52   6.622  -4.635  -9.223
  438    HA   GLU  52           HA       GLU  52   7.221  -5.631 -11.887
  439    HB2  GLU  52           2HB      GLU  52   5.172  -6.862 -10.066
  440    HB3  GLU  52           1HB      GLU  52   5.063  -7.007 -11.813
  441    HG2  GLU  52           2HG      GLU  52   7.543  -7.808 -10.343
  442    HG3  GLU  52           1HG      GLU  52   6.165  -8.899 -10.475
  443    HA   PRO  53           HA       PRO  53   4.938  -1.927 -12.881
  444    HB2  PRO  53           2HB      PRO  53   4.461  -3.480 -15.383
  445    HB3  PRO  53           1HB      PRO  53   5.019  -1.817 -15.181
  446    HG2  PRO  53           2HG      PRO  53   6.727  -3.756 -15.826
  447    HG3  PRO  53           1HG      PRO  53   7.194  -2.464 -14.704
  448    HD2  PRO  53           2HD      PRO  53   6.504  -5.306 -14.140
  449    HD3  PRO  53           1HD      PRO  53   7.649  -4.234 -13.311
  450    H    SER  54           H        SER  54   3.666  -5.177 -13.121
  451    HA   SER  54           HA       SER  54   1.004  -4.567 -13.768
  452    HB2  SER  54           2HB      SER  54   2.431  -6.882 -12.577
  453    HB3  SER  54           1HB      SER  54   0.692  -6.802 -12.297
  454    HG   SER  54           HG       SER  54   0.341  -6.848 -14.477
  455    H    ARG  55           H        ARG  55   2.736  -4.521 -10.724
  456    HA   ARG  55           HA       ARG  55   0.294  -4.019  -9.220
  457    HB2  ARG  55           2HB      ARG  55   3.118  -4.078  -8.176
  458    HB3  ARG  55           1HB      ARG  55   1.633  -4.238  -7.252
  459    HG2  ARG  55           2HG      ARG  55   1.467  -6.427  -7.669
  460    HG3  ARG  55           1HG      ARG  55   1.952  -6.241  -9.355
  461    HD2  ARG  55           2HD      ARG  55   4.279  -6.112  -8.711
  462    HD3  ARG  55           1HD      ARG  55   3.838  -6.136  -7.009
  463    HE   ARG  55           HE       ARG  55   3.781  -8.402  -7.132
  464   HH11  ARG  55          1HH1      ARG  55   3.246  -7.152 -10.350
  465   HH12  ARG  55          2HH1      ARG  55   3.168  -8.720 -11.078
  466   HH21  ARG  55          1HH2      ARG  55   3.683 -10.460  -8.094
  467   HH22  ARG  55          2HH2      ARG  55   3.419 -10.597  -9.799
  468    H    LEU  56           H        LEU  56   2.529  -2.169 -10.916
  469    HA   LEU  56           HA       LEU  56   3.149   0.005  -9.401
  470    HB2  LEU  56           2HB      LEU  56   2.488  -0.343 -12.272
  471    HB3  LEU  56           1HB      LEU  56   2.554   1.297 -11.660
  472    HG   LEU  56           HG       LEU  56   4.816  -0.674 -11.366
  473   HD11  LEU  56          1HD1      LEU  56   5.740   0.014 -13.328
  474   HD12  LEU  56          2HD1      LEU  56   4.945   1.589 -13.281
  475   HD13  LEU  56          3HD1      LEU  56   4.036   0.155 -13.758
  476   HD21  LEU  56          3HD2      LEU  56   5.006   1.016  -9.732
  477   HD22  LEU  56          1HD2      LEU  56   4.517   2.275 -10.865
  478   HD23  LEU  56          2HD2      LEU  56   6.087   1.493 -11.041
  479    HA   PRO  57           HA       PRO  57  -1.137   2.171 -10.491
  480    HB2  PRO  57           2HB      PRO  57  -3.110   0.218 -10.851
  481    HB3  PRO  57           1HB      PRO  57  -2.397   1.221 -12.117
  482    HG2  PRO  57           2HG      PRO  57  -1.739  -1.575 -11.312
  483    HG3  PRO  57           1HG      PRO  57  -1.763  -0.843 -12.929
  484    HD2  PRO  57           2HD      PRO  57   0.539  -1.321 -11.661
  485    HD3  PRO  57           1HD      PRO  57   0.325   0.139 -12.648
  486    H    LEU  58           H        LEU  58  -0.682  -0.819  -8.755
  487    HA   LEU  58           HA       LEU  58  -2.781  -0.687  -6.926
  488    HB2  LEU  58           2HB      LEU  58  -1.099  -2.560  -7.286
  489    HB3  LEU  58           1HB      LEU  58  -0.007  -1.648  -6.261
  490    HG   LEU  58           HG       LEU  58  -2.619  -2.033  -5.026
  491   HD11  LEU  58          1HD1      LEU  58  -1.071  -4.551  -5.090
  492   HD12  LEU  58          2HD1      LEU  58  -2.029  -4.167  -6.520
  493   HD13  LEU  58          3HD1      LEU  58  -2.809  -4.286  -4.944
  494   HD21  LEU  58          3HD2      LEU  58  -1.051  -1.378  -3.514
  495   HD22  LEU  58          1HD2      LEU  58   0.258  -2.226  -4.335
  496   HD23  LEU  58          2HD2      LEU  58  -0.885  -3.124  -3.338
  497    H    PHE  59           H        PHE  59   0.325   0.951  -6.965
  498    HA   PHE  59           HA       PHE  59   0.473   1.911  -4.378
  499    HB2  PHE  59           2HB      PHE  59   1.384   3.030  -7.014
  500    HB3  PHE  59           1HB      PHE  59   1.628   3.938  -5.525
  501    HD1  PHE  59           1HD      PHE  59   2.240   0.569  -6.992
  502    HD2  PHE  59           2HD      PHE  59   3.543   3.592  -4.295
  503    HE1  PHE  59           1HE      PHE  59   4.290  -0.715  -6.551
  504    HE2  PHE  59           2HE      PHE  59   5.597   2.313  -3.848
  505    HZ   PHE  59           HZ       PHE  59   5.973   0.157  -4.977
  506    H    ASP  60           H        ASP  60  -1.463   3.069  -7.066
  507    HA   ASP  60           HA       ASP  60  -2.237   5.553  -6.126
  508    HB2  ASP  60           2HB      ASP  60  -3.703   3.513  -7.789
  509    HB3  ASP  60           1HB      ASP  60  -4.390   5.094  -7.430
  510    H    ALA  61           H        ALA  61  -3.730   2.408  -5.493
  511    HA   ALA  61           HA       ALA  61  -5.767   3.446  -3.788
  512    HB1  ALA  61           1HB      ALA  61  -6.196   1.394  -4.905
  513    HB2  ALA  61           2HB      ALA  61  -6.085   1.026  -3.183
  514    HB3  ALA  61           3HB      ALA  61  -4.733   0.658  -4.254
  515    H    ILE  62           H        ILE  62  -2.453   2.621  -3.286
  516    HA   ILE  62           HA       ILE  62  -2.652   2.042  -0.497
  517    HB   ILE  62           HB       ILE  62  -0.220   2.881  -2.076
  518   HG12  ILE  62          2HG1      ILE  62  -1.344   0.146  -1.428
  519   HG13  ILE  62          1HG1      ILE  62  -1.200   0.875  -3.024
  520   HG21  ILE  62          1HG2      ILE  62   0.197   3.179   0.257
  521   HG22  ILE  62          2HG2      ILE  62   0.998   1.689  -0.244
  522   HG23  ILE  62          3HG2      ILE  62  -0.526   1.617   0.642
  523   HD11  ILE  62          3HD1      ILE  62   0.729  -0.191  -3.213
  524   HD12  ILE  62          1HD1      ILE  62   0.725  -0.637  -1.507
  525   HD13  ILE  62          2HD1      ILE  62   1.379   0.923  -2.009
  526    H    ARG  63           H        ARG  63  -1.921   4.951  -2.360
  527    HA   ARG  63           HA       ARG  63  -1.023   6.575  -0.276
  528    HB2  ARG  63           2HB      ARG  63  -2.685   8.008  -2.224
  529    HB3  ARG  63           1HB      ARG  63  -1.007   8.255  -1.778
  530    HG2  ARG  63           2HG      ARG  63  -0.363   6.386  -3.245
  531    HG3  ARG  63           1HG      ARG  63  -2.053   6.207  -3.724
  532    HD2  ARG  63           2HD      ARG  63  -0.111   8.372  -4.378
  533    HD3  ARG  63           1HD      ARG  63  -1.231   7.512  -5.432
  534    HE   ARG  63           HE       ARG  63  -1.731   9.934  -4.037
  535   HH11  ARG  63          1HH1      ARG  63  -3.269   6.991  -5.109
  536   HH12  ARG  63          2HH1      ARG  63  -4.851   7.692  -5.173
  537   HH21  ARG  63          1HH2      ARG  63  -3.811  10.858  -4.114
  538   HH22  ARG  63          2HH2      ARG  63  -5.158   9.888  -4.609
  539    HA   PRO  64           HA       PRO  64  -5.833   8.111  -0.100
  540    HB2  PRO  64           2HB      PRO  64  -6.642   5.227  -0.316
  541    HB3  PRO  64           1HB      PRO  64  -7.576   6.679  -0.699
  542    HG2  PRO  64           2HG      PRO  64  -6.391   5.291  -2.631
  543    HG3  PRO  64           1HG      PRO  64  -6.418   7.063  -2.673
  544    HD2  PRO  64           2HD      PRO  64  -4.167   5.225  -2.126
  545    HD3  PRO  64           1HD      PRO  64  -4.145   6.885  -2.748
  546    H    LEU  65           H        LEU  65  -5.084   4.823   1.142
  547    HA   LEU  65           HA       LEU  65  -6.244   5.328   3.678
  548    HB2  LEU  65           2HB      LEU  65  -5.184   3.251   4.395
  549    HB3  LEU  65           1HB      LEU  65  -6.001   3.063   2.855
  550    HG   LEU  65           HG       LEU  65  -3.162   3.738   2.598
  551   HD11  LEU  65          1HD1      LEU  65  -3.341   2.259   4.695
  552   HD12  LEU  65          2HD1      LEU  65  -2.216   1.781   3.424
  553   HD13  LEU  65          3HD1      LEU  65  -3.776   0.972   3.570
  554   HD21  LEU  65          3HD2      LEU  65  -4.034   3.065   0.613
  555   HD22  LEU  65          1HD2      LEU  65  -5.194   1.969   1.364
  556   HD23  LEU  65          2HD2      LEU  65  -3.502   1.493   1.213
  557    H    ILE  66           H        ILE  66  -3.034   5.699   2.373
  558    HA   ILE  66           HA       ILE  66  -1.611   6.029   4.761
  559    HB   ILE  66           HB       ILE  66  -1.144   6.521   1.913
  560   HG12  ILE  66          2HG1      ILE  66   0.869   5.815   4.032
  561   HG13  ILE  66          1HG1      ILE  66  -0.306   4.638   3.451
  562   HG21  ILE  66          1HG2      ILE  66  -0.656   8.753   2.469
  563   HG22  ILE  66          2HG2      ILE  66   0.901   7.931   2.384
  564   HG23  ILE  66          3HG2      ILE  66   0.174   8.284   3.950
  565   HD11  ILE  66          3HD1      ILE  66   1.890   5.986   1.918
  566   HD12  ILE  66          1HD1      ILE  66   0.568   5.128   1.128
  567   HD13  ILE  66          2HD1      ILE  66   1.654   4.265   2.218
  568    HA   PRO  67           HA       PRO  67  -2.895   9.851   6.548
  569    HB2  PRO  67           2HB      PRO  67   0.032  10.421   6.728
  570    HB3  PRO  67           1HB      PRO  67  -1.213  10.521   7.979
  571    HG2  PRO  67           2HG      PRO  67   0.474   8.471   7.930
  572    HG3  PRO  67           1HG      PRO  67  -1.237   8.224   8.322
  573    HD2  PRO  67           2HD      PRO  67   0.240   7.604   5.806
  574    HD3  PRO  67           1HD      PRO  67  -1.099   6.729   6.574
  575    H    LEU  68           H        LEU  68  -2.943  12.102   6.170
  576    HA   LEU  68           HA       LEU  68  -2.949  12.917   3.533
  577    HB2  LEU  68           2HB      LEU  68  -2.365  15.160   5.288
  578    HB3  LEU  68           1HB      LEU  68  -3.778  14.844   4.304
  579    HG   LEU  68           HG       LEU  68  -4.448  13.217   6.225
  580   HD11  LEU  68          1HD1      LEU  68  -2.977  13.085   7.891
  581   HD12  LEU  68          2HD1      LEU  68  -3.447  14.729   8.323
  582   HD13  LEU  68          3HD1      LEU  68  -2.053  14.457   7.280
  583   HD21  LEU  68          3HD2      LEU  68  -5.926  14.918   6.036
  584   HD22  LEU  68          1HD2      LEU  68  -4.669  16.154   6.002
  585   HD23  LEU  68          2HD2      LEU  68  -5.157  15.437   7.536
  586    H    LYS  69           H        LYS  69  -0.663  14.359   5.859
  587    HA   LYS  69           HA       LYS  69   1.100  15.389   4.011
  588    HB2  LYS  69           2HB      LYS  69   2.733  15.512   5.788
  589    HB3  LYS  69           1HB      LYS  69   1.141  15.876   6.440
  590    HG2  LYS  69           2HG      LYS  69   1.288  13.198   6.869
  591    HG3  LYS  69           1HG      LYS  69   2.977  13.678   7.052
  592    HD2  LYS  69           2HD      LYS  69   1.711  15.627   8.463
  593    HD3  LYS  69           1HD      LYS  69   0.653  14.247   8.758
  594    HE2  LYS  69           2HE      LYS  69   2.160  14.002  10.470
  595    HE3  LYS  69           1HE      LYS  69   2.913  13.008   9.223
  596    HZ1  LYS  69           3HZ      LYS  69   4.138  15.177   8.630
  597    HZ2  LYS  69           1HZ      LYS  69   4.651  14.295   9.979
  598    HZ3  LYS  69           2HZ      LYS  69   3.700  15.678  10.184
  599    H    HIS  70           H        HIS  70   0.882  12.123   5.250
  600    HA   HIS  70           HA       HIS  70   3.361  11.180   4.277
  601    HB2  HIS  70           2HB      HIS  70   0.778   9.820   5.006
  602    HB3  HIS  70           1HB      HIS  70   2.140   8.910   4.362
  603    HD1  HIS  70           1HD      HIS  70   2.324   7.640   6.636
  604    HD2  HIS  70           2HD      HIS  70   2.973  11.737   6.878
  605    HE1  HIS  70           1HE      HIS  70   3.363   8.023   8.894
  606    HE2  HIS  70           2HE      HIS  70   3.639  10.522   9.062
  607    H    GLN  71           H        GLN  71   0.152  11.430   2.839
  608    HA   GLN  71           HA       GLN  71   0.617   9.941   0.512
  609    HB2  GLN  71           2HB      GLN  71  -1.254  12.192   1.180
  610    HB3  GLN  71           1HB      GLN  71  -1.172  11.563  -0.458
  611    HG2  GLN  71           2HG      GLN  71  -1.619   9.283   0.542
  612    HG3  GLN  71           1HG      GLN  71  -2.003  10.127   2.042
  613   HE21  GLN  71          1HE2      GLN  71  -2.841   9.970  -1.385
  614   HE22  GLN  71          2HE2      GLN  71  -4.499  10.414  -1.184
  615    H    VAL  72           H        VAL  72   1.135  13.354   1.237
  616    HA   VAL  72           HA       VAL  72   1.917  14.208  -1.310
  617    HB   VAL  72           HB       VAL  72   3.007  15.277   1.294
  618   HG11  VAL  72          1HG1      VAL  72   3.749  17.067   0.146
  619   HG12  VAL  72          2HG1      VAL  72   2.370  17.063  -0.956
  620   HG13  VAL  72          3HG1      VAL  72   3.716  15.954  -1.222
  621   HG21  VAL  72          3HG2      VAL  72   0.821  15.550   1.799
  622   HG22  VAL  72          1HG2      VAL  72   0.306  15.427   0.116
  623   HG23  VAL  72          2HG2      VAL  72   0.976  16.940   0.725
  624    H    GLU  73           H        GLU  73   3.973  13.252   1.452
  625    HA   GLU  73           HA       GLU  73   6.386  13.336  -0.020
  626    HB2  GLU  73           2HB      GLU  73   5.625  12.840   2.653
  627    HB3  GLU  73           1HB      GLU  73   6.528  11.424   2.131
  628    HG2  GLU  73           2HG      GLU  73   8.170  12.790   3.001
  629    HG3  GLU  73           1HG      GLU  73   8.264  13.123   1.272
  630    H    TYR  74           H        TYR  74   3.972  10.854   0.473
  631    HA   TYR  74           HA       TYR  74   5.382   8.599  -0.348
  632    HB2  TYR  74           2HB      TYR  74   3.041   8.640   0.574
  633    HB3  TYR  74           1HB      TYR  74   2.489   9.201  -1.001
  634    HD1  TYR  74           2HD      TYR  74   4.368   6.401   0.593
  635    HD2  TYR  74           1HD      TYR  74   1.857   7.647  -2.606
  636    HE1  TYR  74           2HE      TYR  74   4.178   4.066  -0.159
  637    HE2  TYR  74           1HE      TYR  74   1.658   5.316  -3.366
  638    HH   TYR  74           HH       TYR  74   2.027   2.839  -1.819
  639    H    ASP  75           H        ASP  75   3.688  11.054  -2.218
  640    HA   ASP  75           HA       ASP  75   4.232   9.868  -4.760
  641    HB2  ASP  75           2HB      ASP  75   3.440  12.711  -4.078
  642    HB3  ASP  75           1HB      ASP  75   3.403  11.991  -5.684
  643    H    GLN  76           H        GLN  76   5.811  12.236  -2.697
  644    HA   GLN  76           HA       GLN  76   7.623  13.280  -4.576
  645    HB2  GLN  76           2HB      GLN  76   7.781  12.984  -1.578
  646    HB3  GLN  76           1HB      GLN  76   9.018  13.807  -2.521
  647    HG2  GLN  76           2HG      GLN  76   6.791  15.056  -3.409
  648    HG3  GLN  76           1HG      GLN  76   6.327  14.685  -1.748
  649   HE21  GLN  76          1HE2      GLN  76   9.100  15.946  -3.569
  650   HE22  GLN  76          2HE2      GLN  76   9.504  17.182  -2.430
  651    H    LEU  77           H        LEU  77   7.647  10.348  -2.675
  652    HA   LEU  77           HA       LEU  77  10.375   9.722  -3.483
  653    HB2  LEU  77           2HB      LEU  77   8.426   8.224  -1.733
  654    HB3  LEU  77           1HB      LEU  77  10.073   7.715  -2.057
  655    HG   LEU  77           HG       LEU  77   9.814  10.446  -0.984
  656   HD11  LEU  77          1HD1      LEU  77   9.630   9.403   1.363
  657   HD12  LEU  77          2HD1      LEU  77   8.880   8.040   0.532
  658   HD13  LEU  77          3HD1      LEU  77   8.154   9.644   0.427
  659   HD21  LEU  77          3HD2      LEU  77  11.856   8.740  -1.387
  660   HD22  LEU  77          1HD2      LEU  77  11.480   8.380   0.297
  661   HD23  LEU  77          2HD2      LEU  77  11.882  10.028  -0.182
  662    H    THR  78           H        THR  78   7.072   8.690  -4.062
  663    HA   THR  78           HA       THR  78   8.024   6.683  -5.971
  664    HB   THR  78           HB       THR  78   5.801   5.724  -5.877
  665    HG1  THR  78           1HG      THR  78   4.142   6.713  -4.958
  666   HG21  THR  78          3HG2      THR  78   5.561   5.521  -3.274
  667   HG22  THR  78          1HG2      THR  78   7.157   6.271  -3.294
  668   HG23  THR  78          2HG2      THR  78   6.889   4.744  -4.134
  669    HA   PRO  79           HA       PRO  79   6.843  10.060  -8.832
  670    HB2  PRO  79           2HB      PRO  79   8.432   9.209 -10.864
  671    HB3  PRO  79           1HB      PRO  79   9.028  10.203  -9.531
  672    HG2  PRO  79           2HG      PRO  79   9.233   7.243  -9.924
  673    HG3  PRO  79           1HG      PRO  79  10.465   8.384  -9.355
  674    HD2  PRO  79           2HD      PRO  79   9.055   6.811  -7.666
  675    HD3  PRO  79           1HD      PRO  79   9.610   8.435  -7.213
  676    H    ARG  80           H        ARG  80   6.513   9.661 -11.432
  677    HA   ARG  80           HA       ARG  80   4.482   7.548 -11.547
  678    HB2  ARG  80           2HB      ARG  80   4.162  10.132 -12.122
  679    HB3  ARG  80           1HB      ARG  80   4.728   9.591 -13.698
  680    HG2  ARG  80           2HG      ARG  80   2.349   9.547 -13.710
  681    HG3  ARG  80           1HG      ARG  80   2.922   7.878 -13.685
  682    HD2  ARG  80           2HD      ARG  80   2.707   8.324 -11.046
  683    HD3  ARG  80           1HD      ARG  80   1.457   9.420 -11.633
  684    HE   ARG  80           HE       ARG  80   1.388   6.546 -11.640
  685   HH11  ARG  80          1HH1      ARG  80   0.130   9.441 -13.129
  686   HH12  ARG  80          2HH1      ARG  80  -1.321   8.676 -13.681
  687   HH21  ARG  80          1HH2      ARG  80  -0.521   5.539 -12.366
  688   HH22  ARG  80          2HH2      ARG  80  -1.692   6.462 -13.248
  Start of MODEL   20
    1    H1   MET   1           1HT      MET   1 -18.202   4.701   5.080
    2    H2   MET   1           2HT      MET   1 -19.890   4.754   5.388
    3    H3   MET   1           3HT      MET   1 -18.778   4.690   6.694
    4    HA   MET   1           HA       MET   1 -19.348   6.894   4.851
    5    HB2  MET   1           2HB      MET   1 -19.308   6.534   7.853
    6    HB3  MET   1           1HB      MET   1 -19.569   8.078   7.051
    7    HG2  MET   1           2HG      MET   1 -21.635   7.412   6.189
    8    HG3  MET   1           1HG      MET   1 -21.310   5.707   6.488
    9    HE1  MET   1           2HE      MET   1 -21.901   9.094   9.186
   10    HE2  MET   1           3HE      MET   1 -23.541   8.636   8.726
   11    HE3  MET   1           1HE      MET   1 -22.338   8.972   7.481
   12    H    ASP   2           H        ASP   2 -17.115   5.868   7.436
   13    HA   ASP   2           HA       ASP   2 -15.264   7.983   6.858
   14    HB2  ASP   2           2HB      ASP   2 -15.431   5.744   8.802
   15    HB3  ASP   2           1HB      ASP   2 -13.820   6.344   8.421
   16    H    ARG   3           H        ARG   3 -15.282   4.458   6.396
   17    HA   ARG   3           HA       ARG   3 -12.820   4.588   4.862
   18    HB2  ARG   3           2HB      ARG   3 -14.599   2.213   5.443
   19    HB3  ARG   3           1HB      ARG   3 -12.973   2.157   4.773
   20    HG2  ARG   3           2HG      ARG   3 -11.984   2.724   6.793
   21    HG3  ARG   3           1HG      ARG   3 -13.473   3.410   7.443
   22    HD2  ARG   3           2HD      ARG   3 -13.851   1.470   8.458
   23    HD3  ARG   3           1HD      ARG   3 -14.058   0.731   6.870
   24    HE   ARG   3           HE       ARG   3 -12.047  -0.307   7.148
   25   HH11  ARG   3          1HH1      ARG   3 -12.213   2.381   9.367
   26   HH12  ARG   3          2HH1      ARG   3 -10.723   1.983  10.156
   27   HH21  ARG   3          1HH2      ARG   3 -10.088  -0.832   8.185
   28   HH22  ARG   3          2HH2      ARG   3  -9.516   0.160   9.485
   29    H    LYS   4           H        LYS   4 -12.693   4.660   2.711
   30    HA   LYS   4           HA       LYS   4 -15.033   3.897   1.117
   31    HB2  LYS   4           2HB      LYS   4 -14.421   5.927  -0.371
   32    HB3  LYS   4           1HB      LYS   4 -15.352   6.202   1.095
   33    HG2  LYS   4           2HG      LYS   4 -12.601   6.385   1.764
   34    HG3  LYS   4           1HG      LYS   4 -12.882   7.355   0.317
   35    HD2  LYS   4           2HD      LYS   4 -14.699   8.529   1.447
   36    HD3  LYS   4           1HD      LYS   4 -14.454   7.540   2.887
   37    HE2  LYS   4           2HE      LYS   4 -12.172   9.103   1.764
   38    HE3  LYS   4           1HE      LYS   4 -13.399   9.927   2.726
   39    HZ1  LYS   4           3HZ      LYS   4 -12.675   8.978   4.607
   40    HZ2  LYS   4           1HZ      LYS   4 -11.241   8.716   3.747
   41    HZ3  LYS   4           2HZ      LYS   4 -12.383   7.476   3.884
   42    H    VAL   5           H        VAL   5 -11.611   4.862   1.019
   43    HA   VAL   5           HA       VAL   5 -11.143   3.623  -1.517
   44    HB   VAL   5           HB       VAL   5  -9.029   4.366   0.501
   45   HG11  VAL   5          1HG1      VAL   5  -9.066   3.541  -2.306
   46   HG12  VAL   5          2HG1      VAL   5  -7.762   3.479  -1.119
   47   HG13  VAL   5          3HG1      VAL   5  -8.094   4.977  -1.988
   48   HG21  VAL   5          3HG2      VAL   5 -10.053   6.401   0.398
   49   HG22  VAL   5          1HG2      VAL   5 -10.757   6.092  -1.190
   50   HG23  VAL   5          2HG2      VAL   5  -9.052   6.517  -1.048
   51    H    ALA   6           H        ALA   6 -11.047   2.585   1.792
   52    HA   ALA   6           HA       ALA   6  -9.300   0.435   1.673
   53    HB1  ALA   6           1HB      ALA   6  -9.918   0.654   3.819
   54    HB2  ALA   6           2HB      ALA   6 -11.197  -0.482   3.388
   55    HB3  ALA   6           3HB      ALA   6 -11.523   1.252   3.399
   56    H    ARG   7           H        ARG   7 -12.740   0.562   0.864
   57    HA   ARG   7           HA       ARG   7 -13.100  -2.169   0.338
   58    HB2  ARG   7           2HB      ARG   7 -14.842  -0.253   0.535
   59    HB3  ARG   7           1HB      ARG   7 -14.559  -0.033  -1.186
   60    HG2  ARG   7           2HG      ARG   7 -15.081  -2.530  -1.399
   61    HG3  ARG   7           1HG      ARG   7 -15.736  -2.394   0.234
   62    HD2  ARG   7           2HD      ARG   7 -16.818  -0.233  -1.146
   63    HD3  ARG   7           1HD      ARG   7 -16.879  -1.571  -2.294
   64    HE   ARG   7           HE       ARG   7 -17.860  -2.638   0.005
   65   HH11  ARG   7          1HH1      ARG   7 -18.669   0.171  -1.901
   66   HH12  ARG   7          2HH1      ARG   7 -20.344   0.141  -1.465
   67   HH21  ARG   7          1HH2      ARG   7 -20.065  -2.681   0.579
   68   HH22  ARG   7          2HH2      ARG   7 -21.137  -1.479  -0.056
   69    H    GLU   8           H        GLU   8 -12.494   0.494  -1.926
   70    HA   GLU   8           HA       GLU   8 -12.218  -1.106  -4.218
   71    HB2  GLU   8           2HB      GLU   8 -11.818   1.679  -3.501
   72    HB3  GLU   8           1HB      GLU   8 -10.590   1.125  -4.631
   73    HG2  GLU   8           2HG      GLU   8 -12.846   0.124  -5.761
   74    HG3  GLU   8           1HG      GLU   8 -13.446   1.614  -5.035
   75    H    PHE   9           H        PHE   9  -9.977  -0.168  -1.709
   76    HA   PHE   9           HA       PHE   9  -7.562  -0.834  -2.961
   77    HB2  PHE   9           2HB      PHE   9  -7.675   0.412  -0.848
   78    HB3  PHE   9           1HB      PHE   9  -8.301  -1.014  -0.030
   79    HD1  PHE   9           2HD      PHE   9  -6.808  -3.103  -0.019
   80    HD2  PHE   9           1HD      PHE   9  -5.395   0.803  -0.938
   81    HE1  PHE   9           2HE      PHE   9  -4.511  -3.818   0.497
   82    HE2  PHE   9           1HE      PHE   9  -3.095   0.097  -0.426
   83    HZ   PHE   9           HZ       PHE   9  -2.650  -2.216   0.293
   84    H    ARG  10           H        ARG  10  -9.625  -2.791  -0.816
   85    HA   ARG  10           HA       ARG  10  -8.117  -5.148  -0.970
   86    HB2  ARG  10           2HB      ARG  10 -11.105  -4.929  -0.577
   87    HB3  ARG  10           1HB      ARG  10 -10.078  -6.273  -0.098
   88    HG2  ARG  10           2HG      ARG  10  -8.873  -4.255   1.222
   89    HG3  ARG  10           1HG      ARG  10 -10.542  -3.682   1.211
   90    HD2  ARG  10           2HD      ARG  10 -11.204  -5.956   2.074
   91    HD3  ARG  10           1HD      ARG  10  -9.487  -6.281   2.307
   92    HE   ARG  10           HE       ARG  10  -9.526  -4.950   4.166
   93   HH11  ARG  10          1HH1      ARG  10 -12.384  -4.309   2.270
   94   HH12  ARG  10          2HH1      ARG  10 -13.110  -3.298   3.476
   95   HH21  ARG  10          1HH2      ARG  10 -10.477  -3.622   5.752
   96   HH22  ARG  10          2HH2      ARG  10 -12.027  -2.908   5.452
   97    H    HIS  11           H        HIS  11 -10.685  -3.873  -3.009
   98    HA   HIS  11           HA       HIS  11 -11.085  -6.201  -4.564
   99    HB2  HIS  11           2HB      HIS  11 -11.647  -3.282  -5.068
  100    HB3  HIS  11           1HB      HIS  11 -12.044  -4.530  -6.243
  101    HD1  HIS  11           1HD      HIS  11 -12.587  -5.945  -3.008
  102    HD2  HIS  11           2HD      HIS  11 -14.712  -3.368  -5.480
  103    HE1  HIS  11           1HE      HIS  11 -14.960  -6.021  -2.178
  104    HE2  HIS  11           2HE      HIS  11 -16.209  -4.389  -3.634
  105    H    LYS  12           H        LYS  12  -9.024  -3.351  -5.020
  106    HA   LYS  12           HA       LYS  12  -8.034  -4.108  -7.560
  107    HB2  LYS  12           2HB      LYS  12  -6.739  -2.332  -5.485
  108    HB3  LYS  12           1HB      LYS  12  -6.312  -2.410  -7.190
  109    HG2  LYS  12           2HG      LYS  12  -8.101  -1.185  -7.840
  110    HG3  LYS  12           1HG      LYS  12  -9.131  -1.795  -6.541
  111    HD2  LYS  12           2HD      LYS  12  -8.043  -0.372  -4.937
  112    HD3  LYS  12           1HD      LYS  12  -6.850   0.134  -6.134
  113    HE2  LYS  12           2HE      LYS  12  -8.527   1.276  -7.413
  114    HE3  LYS  12           1HE      LYS  12  -9.812   0.625  -6.396
  115    HZ1  LYS  12           3HZ      LYS  12  -8.611   1.840  -4.517
  116    HZ2  LYS  12           1HZ      LYS  12  -9.497   2.773  -5.615
  117    HZ3  LYS  12           2HZ      LYS  12  -7.813   2.696  -5.738
  118    H    VAL  13           H        VAL  13  -6.623  -4.384  -4.302
  119    HA   VAL  13           HA       VAL  13  -4.216  -5.568  -4.953
  120    HB   VAL  13           HB       VAL  13  -5.870  -6.302  -2.537
  121   HG11  VAL  13          1HG1      VAL  13  -3.608  -7.469  -3.261
  122   HG12  VAL  13          2HG1      VAL  13  -3.965  -7.106  -1.572
  123   HG13  VAL  13          3HG1      VAL  13  -2.912  -6.040  -2.500
  124   HG21  VAL  13          3HG2      VAL  13  -5.638  -4.244  -1.736
  125   HG22  VAL  13          1HG2      VAL  13  -5.010  -3.743  -3.305
  126   HG23  VAL  13          2HG2      VAL  13  -3.901  -4.271  -2.040
  127    H    ASP  14           H        ASP  14  -7.305  -7.201  -4.265
  128    HA   ASP  14           HA       ASP  14  -6.285  -9.815  -4.717
  129    HB2  ASP  14           2HB      ASP  14  -8.551  -8.863  -3.584
  130    HB3  ASP  14           1HB      ASP  14  -9.175  -9.338  -5.160
  131    H    PHE  15           H        PHE  15  -7.663  -7.356  -6.770
  132    HA   PHE  15           HA       PHE  15  -8.237  -9.016  -8.996
  133    HB2  PHE  15           2HB      PHE  15  -9.247  -6.793  -8.706
  134    HB3  PHE  15           1HB      PHE  15  -7.666  -6.047  -8.913
  135    HD1  PHE  15           1HD      PHE  15  -9.885  -8.465 -10.694
  136    HD2  PHE  15           2HD      PHE  15  -7.184  -5.188 -10.980
  137    HE1  PHE  15           1HE      PHE  15 -10.251  -8.381 -13.126
  138    HE2  PHE  15           2HE      PHE  15  -7.547  -5.096 -13.412
  139    HZ   PHE  15           HZ       PHE  15  -9.082  -6.694 -14.488
  140    H    LEU  16           H        LEU  16  -5.491  -6.845  -8.298
  141    HA   LEU  16           HA       LEU  16  -4.067  -7.773 -10.627
  142    HB2  LEU  16           2HB      LEU  16  -2.233  -6.309  -9.742
  143    HB3  LEU  16           1HB      LEU  16  -3.742  -5.501 -10.116
  144    HG   LEU  16           HG       LEU  16  -3.861  -6.235  -7.382
  145   HD11  LEU  16          1HD1      LEU  16  -1.313  -6.349  -7.760
  146   HD12  LEU  16          2HD1      LEU  16  -1.929  -5.415  -6.396
  147   HD13  LEU  16          3HD1      LEU  16  -1.408  -4.591  -7.866
  148   HD21  LEU  16          3HD2      LEU  16  -3.243  -3.466  -8.308
  149   HD22  LEU  16          1HD2      LEU  16  -4.384  -4.014  -7.081
  150   HD23  LEU  16          2HD2      LEU  16  -4.759  -4.227  -8.791
  151    H    ILE  17           H        ILE  17  -3.842  -8.212  -7.134
  152    HA   ILE  17           HA       ILE  17  -1.540  -9.962  -7.441
  153    HB   ILE  17           HB       ILE  17  -2.988  -9.437  -4.859
  154   HG12  ILE  17          2HG1      ILE  17  -0.807  -7.770  -6.136
  155   HG13  ILE  17          1HG1      ILE  17  -2.469  -7.262  -5.845
  156   HG21  ILE  17          1HG2      ILE  17  -1.188 -10.345  -3.826
  157   HG22  ILE  17          2HG2      ILE  17  -0.056  -9.776  -5.052
  158   HG23  ILE  17          3HG2      ILE  17  -1.051 -11.199  -5.363
  159   HD11  ILE  17          3HD1      ILE  17  -0.183  -7.366  -4.028
  160   HD12  ILE  17          1HD1      ILE  17  -1.686  -7.993  -3.351
  161   HD13  ILE  17          2HD1      ILE  17  -1.625  -6.351  -3.991
  162    H    GLU  18           H        GLU  18  -4.451 -10.379  -5.457
  163    HA   GLU  18           HA       GLU  18  -5.919 -12.107  -5.242
  164    HB2  GLU  18           2HB      GLU  18  -5.610 -12.042  -7.868
  165    HB3  GLU  18           1HB      GLU  18  -4.796 -13.573  -7.581
  166    HG2  GLU  18           2HG      GLU  18  -7.016 -13.999  -6.159
  167    HG3  GLU  18           1HG      GLU  18  -7.651 -12.867  -7.355
  168    H    ASN  19           H        ASN  19  -2.680 -12.328  -4.873
  169    HA   ASN  19           HA       ASN  19  -2.651 -15.172  -4.219
  170    HB2  ASN  19           2HB      ASN  19  -0.547 -13.110  -4.715
  171    HB3  ASN  19           1HB      ASN  19  -0.147 -14.487  -3.691
  172   HD21  ASN  19          1HD2      ASN  19   0.597 -13.570  -6.494
  173   HD22  ASN  19          2HD2      ASN  19   0.390 -14.988  -7.457
  174    H    ASP  20           H        ASP  20  -1.947 -15.916  -2.156
  175    HA   ASP  20           HA       ASP  20  -2.894 -14.252   0.006
  176    HB2  ASP  20           2HB      ASP  20  -2.961 -16.943  -0.435
  177    HB3  ASP  20           1HB      ASP  20  -1.603 -16.815   0.680
  178    H    ALA  21           H        ALA  21   0.166 -15.569  -1.120
  179    HA   ALA  21           HA       ALA  21   1.715 -14.791   1.116
  180    HB1  ALA  21           1HB      ALA  21   2.895 -16.314  -0.071
  181    HB2  ALA  21           2HB      ALA  21   3.557 -14.864  -0.828
  182    HB3  ALA  21           3HB      ALA  21   2.260 -15.760  -1.621
  183    H    GLU  22           H        GLU  22   1.103 -13.266  -2.016
  184    HA   GLU  22           HA       GLU  22   2.743 -11.009  -1.596
  185    HB2  GLU  22           2HB      GLU  22   0.473 -11.635  -3.451
  186    HB3  GLU  22           1HB      GLU  22   1.110  -9.998  -3.369
  187    HG2  GLU  22           2HG      GLU  22   2.105 -11.291  -5.189
  188    HG3  GLU  22           1HG      GLU  22   3.305 -10.781  -4.000
  189    H    LYS  23           H        LYS  23  -0.596 -11.720  -0.795
  190    HA   LYS  23           HA       LYS  23  -1.322  -9.068  -0.072
  191    HB2  LYS  23           2HB      LYS  23  -2.565 -11.669  -0.124
  192    HB3  LYS  23           1HB      LYS  23  -2.925 -10.861   1.394
  193    HG2  LYS  23           2HG      LYS  23  -4.632 -10.024   0.188
  194    HG3  LYS  23           1HG      LYS  23  -3.412  -8.841  -0.284
  195    HD2  LYS  23           2HD      LYS  23  -4.166  -9.432  -2.352
  196    HD3  LYS  23           1HD      LYS  23  -2.914 -10.659  -2.150
  197    HE2  LYS  23           2HE      LYS  23  -4.995 -11.637  -2.978
  198    HE3  LYS  23           1HE      LYS  23  -4.584 -12.255  -1.379
  199    HZ1  LYS  23           3HZ      LYS  23  -6.356 -11.252  -0.434
  200    HZ2  LYS  23           1HZ      LYS  23  -6.994 -11.380  -1.996
  201    HZ3  LYS  23           2HZ      LYS  23  -6.323  -9.919  -1.476
  202    H    ASP  24           H        ASP  24  -0.019 -11.826   1.696
  203    HA   ASP  24           HA       ASP  24  -0.276 -10.693   4.281
  204    HB2  ASP  24           2HB      ASP  24   1.142 -13.011   3.088
  205    HB3  ASP  24           1HB      ASP  24   1.773 -12.407   4.617
  206    H    TYR  25           H        TYR  25   2.169 -10.518   1.784
  207    HA   TYR  25           HA       TYR  25   4.222  -9.374   3.361
  208    HB2  TYR  25           2HB      TYR  25   3.972 -10.260   0.737
  209    HB3  TYR  25           1HB      TYR  25   4.250  -8.529   0.573
  210    HD1  TYR  25           2HD      TYR  25   5.622 -11.575   2.212
  211    HD2  TYR  25           1HD      TYR  25   6.416  -7.673   0.714
  212    HE1  TYR  25           2HE      TYR  25   8.028 -11.937   2.565
  213    HE2  TYR  25           1HE      TYR  25   8.825  -8.024   1.061
  214    HH   TYR  25           HH       TYR  25  10.391 -10.032   1.210
  215    H    LEU  26           H        LEU  26   1.872  -7.902   1.119
  216    HA   LEU  26           HA       LEU  26   2.633  -5.241   1.602
  217    HB2  LEU  26           2HB      LEU  26   0.815  -4.616   0.320
  218    HB3  LEU  26           1HB      LEU  26   1.145  -6.235  -0.263
  219    HG   LEU  26           HG       LEU  26  -0.674  -6.836   1.613
  220   HD11  LEU  26          1HD1      LEU  26  -1.745  -4.243   0.572
  221   HD12  LEU  26          2HD1      LEU  26  -0.820  -4.304   2.071
  222   HD13  LEU  26          3HD1      LEU  26  -2.316  -5.225   1.920
  223   HD21  LEU  26          3HD2      LEU  26  -0.653  -7.336  -0.857
  224   HD22  LEU  26          1HD2      LEU  26  -1.489  -5.801  -1.092
  225   HD23  LEU  26          2HD2      LEU  26  -2.246  -7.080  -0.144
  226    H    TYR  27           H        TYR  27   0.481  -7.410   3.299
  227    HA   TYR  27           HA       TYR  27  -0.809  -5.444   4.891
  228    HB2  TYR  27           2HB      TYR  27  -1.004  -8.229   4.529
  229    HB3  TYR  27           1HB      TYR  27  -0.623  -7.995   6.231
  230    HD1  TYR  27           1HD      TYR  27  -3.052  -7.199   3.567
  231    HD2  TYR  27           2HD      TYR  27  -2.232  -7.091   7.740
  232    HE1  TYR  27           1HE      TYR  27  -5.406  -6.646   4.009
  233    HE2  TYR  27           2HE      TYR  27  -4.584  -6.537   8.195
  234    HH   TYR  27           HH       TYR  27  -6.671  -5.408   5.966
  235    H    ASP  28           H        ASP  28   2.115  -7.352   5.249
  236    HA   ASP  28           HA       ASP  28   2.622  -6.675   7.956
  237    HB2  ASP  28           2HB      ASP  28   3.722  -8.433   6.157
  238    HB3  ASP  28           1HB      ASP  28   4.983  -7.211   6.290
  239    H    VAL  29           H        VAL  29   3.539  -5.246   4.870
  240    HA   VAL  29           HA       VAL  29   5.394  -3.369   5.847
  241    HB   VAL  29           HB       VAL  29   3.604  -2.991   3.448
  242   HG11  VAL  29          1HG1      VAL  29   4.765  -0.989   3.903
  243   HG12  VAL  29          2HG1      VAL  29   5.674  -1.783   2.616
  244   HG13  VAL  29          3HG1      VAL  29   6.259  -1.849   4.278
  245   HG21  VAL  29          3HG2      VAL  29   5.924  -3.945   2.430
  246   HG22  VAL  29          1HG2      VAL  29   4.502  -4.937   2.752
  247   HG23  VAL  29          2HG2      VAL  29   5.816  -4.871   3.927
  248    H    LEU  30           H        LEU  30   1.942  -2.978   5.037
  249    HA   LEU  30           HA       LEU  30   1.715  -0.316   5.890
  250    HB2  LEU  30           2HB      LEU  30  -0.198  -2.546   5.399
  251    HB3  LEU  30           1HB      LEU  30  -0.780  -1.138   6.265
  252    HG   LEU  30           HG       LEU  30   0.633  -0.793   3.647
  253   HD11  LEU  30          1HD1      LEU  30  -2.309  -0.950   3.584
  254   HD12  LEU  30          2HD1      LEU  30  -1.457  -2.486   3.753
  255   HD13  LEU  30          3HD1      LEU  30  -1.115  -1.435   2.378
  256   HD21  LEU  30          3HD2      LEU  30  -0.246   1.005   5.429
  257   HD22  LEU  30          1HD2      LEU  30  -1.712   0.802   4.473
  258   HD23  LEU  30          2HD2      LEU  30  -0.214   1.304   3.690
  259    H    ARG  31           H        ARG  31   1.092  -3.362   7.606
  260    HA   ARG  31           HA       ARG  31   0.154  -2.296  10.002
  261    HB2  ARG  31           2HB      ARG  31   0.164  -4.724   9.318
  262    HB3  ARG  31           1HB      ARG  31   1.868  -4.770   9.751
  263    HG2  ARG  31           2HG      ARG  31   0.342  -3.653  11.908
  264    HG3  ARG  31           1HG      ARG  31  -0.343  -5.204  11.415
  265    HD2  ARG  31           2HD      ARG  31   2.547  -5.309  11.525
  266    HD3  ARG  31           1HD      ARG  31   1.862  -4.787  13.064
  267    HE   ARG  31           HE       ARG  31   0.401  -6.995  12.207
  268   HH11  ARG  31          1HH1      ARG  31   3.664  -6.257  13.203
  269   HH12  ARG  31          2HH1      ARG  31   3.965  -7.843  13.830
  270   HH21  ARG  31          1HH2      ARG  31   0.796  -9.081  13.031
  271   HH22  ARG  31          2HH2      ARG  31   2.337  -9.447  13.732
  272    H    MET  32           H        MET  32   3.431  -2.766   8.833
  273    HA   MET  32           HA       MET  32   4.647  -2.000  11.330
  274    HB2  MET  32           2HB      MET  32   5.713  -2.554   8.570
  275    HB3  MET  32           1HB      MET  32   6.746  -1.927   9.846
  276    HG2  MET  32           2HG      MET  32   6.039  -3.902  11.234
  277    HG3  MET  32           1HG      MET  32   5.291  -4.553   9.776
  278    HE1  MET  32           3HE      MET  32   9.747  -4.028  10.651
  279    HE2  MET  32           1HE      MET  32   8.386  -3.289  11.495
  280    HE3  MET  32           2HE      MET  32   8.941  -2.618   9.960
  281    H    TYR  33           H        TYR  33   3.747  -0.471   8.321
  282    HA   TYR  33           HA       TYR  33   5.226   1.906   8.572
  283    HB2  TYR  33           2HB      TYR  33   4.161   1.284   6.474
  284    HB3  TYR  33           1HB      TYR  33   2.569   1.397   7.216
  285    HD1  TYR  33           1HD      TYR  33   5.598   3.514   6.640
  286    HD2  TYR  33           2HD      TYR  33   1.354   3.331   6.888
  287    HE1  TYR  33           1HE      TYR  33   5.463   5.878   5.978
  288    HE2  TYR  33           2HE      TYR  33   1.208   5.696   6.225
  289    HH   TYR  33           HH       TYR  33   3.403   7.330   4.746
  290    H    HIS  34           H        HIS  34   2.220   0.846   9.998
  291    HA   HIS  34           HA       HIS  34   1.376   3.412  10.911
  292    HB2  HIS  34           2HB      HIS  34   0.543   0.590  11.363
  293    HB3  HIS  34           1HB      HIS  34   0.057   1.780  12.569
  294    HD1  HIS  34           1HD      HIS  34  -2.400   1.886  12.021
  295    HD2  HIS  34           2HD      HIS  34   0.018   2.503   8.700
  296    HE1  HIS  34           1HE      HIS  34  -3.953   2.632  10.188
  297    HE2  HIS  34           2HE      HIS  34  -2.454   3.093   8.217
  298    H    GLN  35           H        GLN  35   3.075   0.691  12.427
  299    HA   GLN  35           HA       GLN  35   3.326   1.997  14.958
  300    HB2  GLN  35           2HB      GLN  35   4.367  -0.520  13.742
  301    HB3  GLN  35           1HB      GLN  35   5.153   0.098  15.189
  302    HG2  GLN  35           2HG      GLN  35   2.255   0.051  15.410
  303    HG3  GLN  35           1HG      GLN  35   2.952  -1.540  15.109
  304   HE21  GLN  35          1HE2      GLN  35   1.806   0.131  17.497
  305   HE22  GLN  35          2HE2      GLN  35   2.889  -0.273  18.780
  306    H    THR  36           H        THR  36   5.463   1.467  12.200
  307    HA   THR  36           HA       THR  36   7.692   2.800  13.423
  308    HB   THR  36           HB       THR  36   8.787   2.527  11.260
  309    HG1  THR  36           1HG      THR  36   6.209   1.759  10.375
  310   HG21  THR  36          3HG2      THR  36   8.808   0.543  12.593
  311   HG22  THR  36          1HG2      THR  36   8.543   0.095  10.909
  312   HG23  THR  36          2HG2      THR  36   7.192   0.103  12.042
  313    H    MET  37           H        MET  37   5.322   3.622  10.916
  314    HA   MET  37           HA       MET  37   4.636   5.611  10.057
  315    HB2  MET  37           2HB      MET  37   5.652   6.395  12.756
  316    HB3  MET  37           1HB      MET  37   5.224   7.660  11.612
  317    HG2  MET  37           2HG      MET  37   3.234   5.522  11.937
  318    HG3  MET  37           1HG      MET  37   3.502   6.538  13.352
  319    HE1  MET  37           3HE      MET  37   0.858   7.094  13.089
  320    HE2  MET  37           1HE      MET  37   0.737   6.220  11.562
  321    HE3  MET  37           2HE      MET  37   0.172   7.887  11.671
  322    H    ASP  38           H        ASP  38   6.664   4.819   8.691
  323    HA   ASP  38           HA       ASP  38   8.260   7.231   8.253
  324    HB2  ASP  38           2HB      ASP  38   9.524   5.463   9.640
  325    HB3  ASP  38           1HB      ASP  38   9.573   4.523   8.151
  326    H    VAL  39           H        VAL  39   7.541   7.801   6.294
  327    HA   VAL  39           HA       VAL  39   6.551   6.072   4.326
  328    HB   VAL  39           HB       VAL  39   7.803   8.768   3.805
  329   HG11  VAL  39          1HG1      VAL  39   6.524   8.850   1.856
  330   HG12  VAL  39          2HG1      VAL  39   5.460   7.547   2.387
  331   HG13  VAL  39          3HG1      VAL  39   7.117   7.189   1.902
  332   HG21  VAL  39          3HG2      VAL  39   6.307   9.455   5.365
  333   HG22  VAL  39          1HG2      VAL  39   5.291   8.026   5.179
  334   HG23  VAL  39          2HG2      VAL  39   5.192   9.335   4.002
  335    H    ALA  40           H        ALA  40   9.797   7.123   5.056
  336    HA   ALA  40           HA       ALA  40  11.063   6.522   2.637
  337    HB1  ALA  40           1HB      ALA  40  12.498   5.998   5.186
  338    HB2  ALA  40           2HB      ALA  40  11.922   7.635   4.871
  339    HB3  ALA  40           3HB      ALA  40  13.032   6.858   3.742
  340    H    VAL  41           H        VAL  41  10.691   4.488   5.541
  341    HA   VAL  41           HA       VAL  41  11.879   2.190   4.401
  342    HB   VAL  41           HB       VAL  41   9.857   2.227   6.641
  343   HG11  VAL  41          1HG1      VAL  41  12.114   0.320   6.037
  344   HG12  VAL  41          2HG1      VAL  41  10.407   0.016   5.717
  345   HG13  VAL  41          3HG1      VAL  41  10.974   0.203   7.377
  346   HG21  VAL  41          3HG2      VAL  41  12.241   2.134   7.898
  347   HG22  VAL  41          1HG2      VAL  41  11.334   3.619   7.624
  348   HG23  VAL  41          2HG2      VAL  41  12.644   3.173   6.531
  349    H    LEU  42           H        LEU  42   8.570   3.360   4.541
  350    HA   LEU  42           HA       LEU  42   7.228   1.059   3.718
  351    HB2  LEU  42           2HB      LEU  42   6.188   3.169   4.571
  352    HB3  LEU  42           1HB      LEU  42   6.500   3.899   3.008
  353    HG   LEU  42           HG       LEU  42   5.112   1.913   2.068
  354   HD11  LEU  42          1HD1      LEU  42   3.672   1.997   4.653
  355   HD12  LEU  42          2HD1      LEU  42   5.125   1.002   4.567
  356   HD13  LEU  42          3HD1      LEU  42   3.787   0.706   3.456
  357   HD21  LEU  42          3HD2      LEU  42   3.236   3.275   2.022
  358   HD22  LEU  42          1HD2      LEU  42   4.543   4.426   2.306
  359   HD23  LEU  42          2HD2      LEU  42   3.524   3.900   3.647
  360    H    VAL  43           H        VAL  43   8.764   3.617   1.813
  361    HA   VAL  43           HA       VAL  43   7.908   2.789  -0.722
  362    HB   VAL  43           HB       VAL  43  10.557   4.092  -0.089
  363   HG11  VAL  43          1HG1      VAL  43   8.859   3.958  -2.571
  364   HG12  VAL  43          2HG1      VAL  43  10.511   3.378  -2.353
  365   HG13  VAL  43          3HG1      VAL  43  10.178   5.109  -2.361
  366   HG21  VAL  43          3HG2      VAL  43   9.530   6.003   0.426
  367   HG22  VAL  43          1HG2      VAL  43   8.045   5.064   0.571
  368   HG23  VAL  43          2HG2      VAL  43   8.433   5.871  -0.949
  369    H    GLY  44           H        GLY  44  10.791   1.897   1.148
  370    HA2  GLY  44           2HA      GLY  44  12.044   0.327  -0.803
  371    HA3  GLY  44           1HA      GLY  44  12.253   0.141   0.931
  372    H    ASP  45           H        ASP  45  10.014  -0.794   1.909
  373    HA   ASP  45           HA       ASP  45   9.930  -3.478   1.075
  374    HB2  ASP  45           2HB      ASP  45   7.946  -1.948   2.772
  375    HB3  ASP  45           1HB      ASP  45   8.039  -3.702   2.644
  376    H    LEU  46           H        LEU  46   7.713  -0.773   0.514
  377    HA   LEU  46           HA       LEU  46   5.655  -2.131  -0.757
  378    HB2  LEU  46           2HB      LEU  46   6.697   0.661  -0.909
  379    HB3  LEU  46           1HB      LEU  46   5.481   0.149  -2.064
  380    HG   LEU  46           HG       LEU  46   5.202   0.198   0.941
  381   HD11  LEU  46          1HD1      LEU  46   3.659   1.711  -1.153
  382   HD12  LEU  46          2HD1      LEU  46   5.062   2.369  -0.309
  383   HD13  LEU  46          3HD1      LEU  46   3.614   1.931   0.598
  384   HD21  LEU  46          3HD2      LEU  46   3.634  -1.153  -1.171
  385   HD22  LEU  46          1HD2      LEU  46   2.723  -0.292   0.068
  386   HD23  LEU  46          2HD2      LEU  46   3.847  -1.569   0.529
  387    H    LYS  47           H        LYS  47   8.761  -1.082  -2.003
  388    HA   LYS  47           HA       LYS  47   8.134  -1.578  -4.747
  389    HB2  LYS  47           2HB      LYS  47  10.342  -0.528  -3.248
  390    HB3  LYS  47           1HB      LYS  47  10.936  -1.756  -4.356
  391    HG2  LYS  47           2HG      LYS  47  11.051   0.017  -5.746
  392    HG3  LYS  47           1HG      LYS  47   9.365  -0.417  -6.039
  393    HD2  LYS  47           2HD      LYS  47   8.578   1.428  -5.007
  394    HD3  LYS  47           1HD      LYS  47   9.823   1.382  -3.756
  395    HE2  LYS  47           2HE      LYS  47  10.779   2.029  -6.462
  396    HE3  LYS  47           1HE      LYS  47   9.707   3.227  -5.737
  397    HZ1  LYS  47           3HZ      LYS  47  11.228   3.787  -4.194
  398    HZ2  LYS  47           1HZ      LYS  47  12.326   3.175  -5.327
  399    HZ3  LYS  47           2HZ      LYS  47  11.827   2.215  -4.027
  400    H    LEU  48           H        LEU  48  10.032  -3.343  -2.307
  401    HA   LEU  48           HA       LEU  48  10.846  -5.504  -3.799
  402    HB2  LEU  48           2HB      LEU  48   9.890  -5.610  -0.938
  403    HB3  LEU  48           1HB      LEU  48  10.958  -6.761  -1.718
  404    HG   LEU  48           HG       LEU  48  11.790  -3.897  -1.593
  405   HD11  LEU  48          1HD1      LEU  48  10.989  -5.123   0.707
  406   HD12  LEU  48          2HD1      LEU  48  12.200  -3.847   0.605
  407   HD13  LEU  48          3HD1      LEU  48  12.703  -5.536   0.650
  408   HD21  LEU  48          3HD2      LEU  48  13.409  -5.004  -2.720
  409   HD22  LEU  48          1HD2      LEU  48  13.021  -6.556  -1.976
  410   HD23  LEU  48          2HD2      LEU  48  13.968  -5.363  -1.087
  411    H    VAL  49           H        VAL  49   7.692  -4.945  -2.323
  412    HA   VAL  49           HA       VAL  49   6.743  -7.543  -3.243
  413    HB   VAL  49           HB       VAL  49   6.168  -6.338  -0.978
  414   HG11  VAL  49          1HG1      VAL  49   5.227  -4.320  -1.967
  415   HG12  VAL  49          2HG1      VAL  49   4.030  -5.184  -1.003
  416   HG13  VAL  49          3HG1      VAL  49   3.984  -5.287  -2.763
  417   HG21  VAL  49          3HG2      VAL  49   5.289  -8.428  -1.124
  418   HG22  VAL  49          1HG2      VAL  49   4.557  -8.128  -2.699
  419   HG23  VAL  49          2HG2      VAL  49   3.796  -7.497  -1.240
  420    H    ILE  50           H        ILE  50   6.051  -4.109  -3.758
  421    HA   ILE  50           HA       ILE  50   4.218  -4.747  -5.933
  422    HB   ILE  50           HB       ILE  50   5.056  -1.998  -5.030
  423   HG12  ILE  50          2HG1      ILE  50   2.784  -3.737  -4.047
  424   HG13  ILE  50          1HG1      ILE  50   4.147  -3.151  -3.102
  425   HG21  ILE  50          1HG2      ILE  50   3.745  -1.276  -6.665
  426   HG22  ILE  50          2HG2      ILE  50   2.383  -2.166  -5.987
  427   HG23  ILE  50          3HG2      ILE  50   3.447  -2.943  -7.158
  428   HD11  ILE  50          3HD1      ILE  50   2.140  -1.326  -4.384
  429   HD12  ILE  50          1HD1      ILE  50   3.348  -0.928  -3.163
  430   HD13  ILE  50          2HD1      ILE  50   1.978  -1.955  -2.744
  431    H    ASN  51           H        ASN  51   7.184  -5.232  -6.106
  432    HA   ASN  51           HA       ASN  51   8.377  -3.359  -7.825
  433    HB2  ASN  51           2HB      ASN  51   9.845  -5.338  -8.491
  434    HB3  ASN  51           1HB      ASN  51   9.821  -4.915  -6.782
  435   HD21  ASN  51          1HD2      ASN  51  10.716  -7.256  -7.022
  436   HD22  ASN  51          2HD2      ASN  51   9.548  -8.502  -6.762
  437    H    GLU  52           H        GLU  52   6.597  -6.348  -8.524
  438    HA   GLU  52           HA       GLU  52   6.836  -6.587 -11.206
  439    HB2  GLU  52           2HB      GLU  52   4.530  -7.066  -9.361
  440    HB3  GLU  52           1HB      GLU  52   4.312  -7.287 -11.092
  441    HG2  GLU  52           2HG      GLU  52   6.586  -8.610  -9.676
  442    HG3  GLU  52           1HG      GLU  52   4.966  -9.305  -9.618
  443    HA   PRO  53           HA       PRO  53   5.692  -2.614 -12.936
  444    HB2  PRO  53           2HB      PRO  53   5.010  -4.484 -15.174
  445    HB3  PRO  53           1HB      PRO  53   5.887  -2.949 -15.221
  446    HG2  PRO  53           2HG      PRO  53   7.186  -5.281 -15.324
  447    HG3  PRO  53           1HG      PRO  53   7.850  -3.893 -14.444
  448    HD2  PRO  53           2HD      PRO  53   6.653  -6.395 -13.395
  449    HD3  PRO  53           1HD      PRO  53   7.844  -5.312 -12.650
  450    H    SER  54           H        SER  54   3.628  -5.423 -13.740
  451    HA   SER  54           HA       SER  54   1.271  -3.909 -14.086
  452    HB2  SER  54           2HB      SER  54   0.104  -6.097 -13.953
  453    HB3  SER  54           1HB      SER  54   1.488  -6.137 -15.046
  454    HG   SER  54           HG       SER  54   1.349  -7.138 -12.397
  455    H    ARG  55           H        ARG  55   2.902  -5.031 -11.280
  456    HA   ARG  55           HA       ARG  55   0.567  -4.816  -9.567
  457    HB2  ARG  55           2HB      ARG  55   2.639  -6.463  -9.398
  458    HB3  ARG  55           1HB      ARG  55   3.327  -5.131  -8.479
  459    HG2  ARG  55           2HG      ARG  55   1.144  -5.216  -7.123
  460    HG3  ARG  55           1HG      ARG  55   0.932  -6.810  -7.852
  461    HD2  ARG  55           2HD      ARG  55   2.535  -7.733  -6.584
  462    HD3  ARG  55           1HD      ARG  55   3.606  -6.344  -6.752
  463    HE   ARG  55           HE       ARG  55   1.940  -5.309  -5.055
  464   HH11  ARG  55          1HH1      ARG  55   3.043  -8.627  -5.092
  465   HH12  ARG  55          2HH1      ARG  55   2.832  -8.842  -3.389
  466   HH21  ARG  55          1HH2      ARG  55   1.671  -5.598  -2.818
  467   HH22  ARG  55          2HH2      ARG  55   2.054  -7.126  -2.098
  468    H    LEU  56           H        LEU  56   3.039  -2.789 -10.743
  469    HA   LEU  56           HA       LEU  56   3.594  -1.073  -8.658
  470    HB2  LEU  56           2HB      LEU  56   3.361  -0.645 -11.615
  471    HB3  LEU  56           1HB      LEU  56   3.713   0.700 -10.549
  472    HG   LEU  56           HG       LEU  56   5.382  -1.810 -10.682
  473   HD11  LEU  56          1HD1      LEU  56   5.174  -0.071 -12.727
  474   HD12  LEU  56          2HD1      LEU  56   6.657  -0.938 -12.321
  475   HD13  LEU  56          3HD1      LEU  56   6.425   0.721 -11.767
  476   HD21  LEU  56          3HD2      LEU  56   6.716  -0.895  -9.117
  477   HD22  LEU  56          1HD2      LEU  56   5.266   0.015  -8.690
  478   HD23  LEU  56          2HD2      LEU  56   6.491   0.743  -9.729
  479    HA   PRO  57           HA       PRO  57  -0.446   1.468 -10.229
  480    HB2  PRO  57           2HB      PRO  57  -2.011  -1.080 -10.369
  481    HB3  PRO  57           1HB      PRO  57  -2.248   0.433 -11.253
  482    HG2  PRO  57           2HG      PRO  57  -1.094  -1.650 -12.434
  483    HG3  PRO  57           1HG      PRO  57  -0.509  -0.002 -12.729
  484    HD2  PRO  57           2HD      PRO  57   0.701  -2.181 -11.111
  485    HD3  PRO  57           1HD      PRO  57   1.486  -0.867 -12.007
  486    H    LEU  58           H        LEU  58  -0.132  -1.370  -8.194
  487    HA   LEU  58           HA       LEU  58  -2.213  -1.018  -6.409
  488    HB2  LEU  58           2HB      LEU  58  -0.358  -2.846  -6.572
  489    HB3  LEU  58           1HB      LEU  58   0.500  -1.823  -5.435
  490    HG   LEU  58           HG       LEU  58  -0.714  -3.633  -4.308
  491   HD11  LEU  58          1HD1      LEU  58  -2.273  -1.269  -3.484
  492   HD12  LEU  58          2HD1      LEU  58  -0.520  -1.079  -3.513
  493   HD13  LEU  58          3HD1      LEU  58  -1.253  -2.351  -2.533
  494   HD21  LEU  58          3HD2      LEU  58  -3.350  -2.416  -4.793
  495   HD22  LEU  58          1HD2      LEU  58  -2.893  -4.110  -4.619
  496   HD23  LEU  58          2HD2      LEU  58  -2.647  -3.284  -6.157
  497    H    PHE  59           H        PHE  59   0.817   0.725  -6.641
  498    HA   PHE  59           HA       PHE  59   1.009   1.923  -4.170
  499    HB2  PHE  59           2HB      PHE  59   1.780   2.730  -6.931
  500    HB3  PHE  59           1HB      PHE  59   1.825   3.969  -5.683
  501    HD1  PHE  59           2HD      PHE  59   3.103   0.605  -6.564
  502    HD2  PHE  59           1HD      PHE  59   3.616   4.099  -4.192
  503    HE1  PHE  59           2HE      PHE  59   5.310  -0.213  -5.845
  504    HE2  PHE  59           1HE      PHE  59   5.824   3.290  -3.470
  505    HZ   PHE  59           HZ       PHE  59   6.674   1.130  -4.296
  506    H    ASP  60           H        ASP  60  -1.178   2.670  -6.800
  507    HA   ASP  60           HA       ASP  60  -2.097   5.169  -6.055
  508    HB2  ASP  60           2HB      ASP  60  -2.715   3.518  -8.060
  509    HB3  ASP  60           1HB      ASP  60  -4.108   3.207  -7.029
  510    H    ALA  61           H        ALA  61  -3.337   2.007  -5.049
  511    HA   ALA  61           HA       ALA  61  -5.293   3.083  -3.276
  512    HB1  ALA  61           1HB      ALA  61  -5.924   0.924  -2.889
  513    HB2  ALA  61           2HB      ALA  61  -4.268   0.317  -2.901
  514    HB3  ALA  61           3HB      ALA  61  -5.073   0.711  -4.420
  515    H    ILE  62           H        ILE  62  -1.916   2.567  -2.991
  516    HA   ILE  62           HA       ILE  62  -1.831   2.161  -0.164
  517    HB   ILE  62           HB       ILE  62   0.366   3.118  -2.001
  518   HG12  ILE  62          2HG1      ILE  62  -0.653   0.907  -2.607
  519   HG13  ILE  62          1HG1      ILE  62   1.051   0.820  -2.174
  520   HG21  ILE  62          1HG2      ILE  62   0.247   2.481   0.873
  521   HG22  ILE  62          2HG2      ILE  62   1.345   3.541  -0.013
  522   HG23  ILE  62          3HG2      ILE  62   1.612   1.797  -0.009
  523   HD11  ILE  62          3HD1      ILE  62   0.579  -0.174  -0.103
  524   HD12  ILE  62          1HD1      ILE  62  -0.469  -0.988  -1.265
  525   HD13  ILE  62          2HD1      ILE  62  -1.130   0.251  -0.196
  526    H    ARG  63           H        ARG  63  -1.497   4.993  -2.272
  527    HA   ARG  63           HA       ARG  63  -0.633   6.824  -0.356
  528    HB2  ARG  63           2HB      ARG  63  -2.528   7.611  -2.551
  529    HB3  ARG  63           1HB      ARG  63  -1.203   8.533  -1.861
  530    HG2  ARG  63           2HG      ARG  63   0.316   6.714  -2.837
  531    HG3  ARG  63           1HG      ARG  63  -1.091   6.248  -3.794
  532    HD2  ARG  63           2HD      ARG  63  -1.005   8.115  -5.078
  533    HD3  ARG  63           1HD      ARG  63  -0.409   9.124  -3.761
  534    HE   ARG  63           HE       ARG  63   1.719   8.712  -4.471
  535   HH11  ARG  63          1HH1      ARG  63  -0.389   6.289  -5.836
  536   HH12  ARG  63          2HH1      ARG  63   0.845   5.599  -6.835
  537   HH21  ARG  63          1HH2      ARG  63   3.344   7.805  -5.785
  538   HH22  ARG  63          2HH2      ARG  63   2.965   6.458  -6.806
  539    HA   PRO  64           HA       PRO  64  -5.537   7.890   0.134
  540    HB2  PRO  64           2HB      PRO  64  -6.133   4.952   0.163
  541    HB3  PRO  64           1HB      PRO  64  -7.185   6.305  -0.276
  542    HG2  PRO  64           2HG      PRO  64  -6.017   4.811  -2.150
  543    HG3  PRO  64           1HG      PRO  64  -6.207   6.561  -2.357
  544    HD2  PRO  64           2HD      PRO  64  -3.768   4.985  -1.810
  545    HD3  PRO  64           1HD      PRO  64  -3.943   6.562  -2.596
  546    H    LEU  65           H        LEU  65  -4.347   4.762   1.397
  547    HA   LEU  65           HA       LEU  65  -5.340   5.142   4.003
  548    HB2  LEU  65           2HB      LEU  65  -3.114   3.391   2.967
  549    HB3  LEU  65           1HB      LEU  65  -3.715   3.325   4.612
  550    HG   LEU  65           HG       LEU  65  -6.008   3.060   3.068
  551   HD11  LEU  65          1HD1      LEU  65  -4.981   0.893   1.796
  552   HD12  LEU  65          2HD1      LEU  65  -3.677   2.063   1.600
  553   HD13  LEU  65          3HD1      LEU  65  -5.301   2.450   1.033
  554   HD21  LEU  65          3HD2      LEU  65  -4.625   0.592   3.922
  555   HD22  LEU  65          1HD2      LEU  65  -6.264   1.152   4.256
  556   HD23  LEU  65          2HD2      LEU  65  -4.904   1.814   5.163
  557    H    ILE  66           H        ILE  66  -2.508   6.336   2.432
  558    HA   ILE  66           HA       ILE  66  -1.011   6.839   4.819
  559    HB   ILE  66           HB       ILE  66  -0.400   6.791   2.130
  560   HG12  ILE  66          2HG1      ILE  66   1.779   8.034   3.358
  561   HG13  ILE  66          1HG1      ILE  66   0.956   7.184   4.661
  562   HG21  ILE  66          1HG2      ILE  66   0.098   9.621   3.012
  563   HG22  ILE  66          2HG2      ILE  66  -1.277   9.155   2.011
  564   HG23  ILE  66          3HG2      ILE  66   0.367   8.906   1.422
  565   HD11  ILE  66          3HD1      ILE  66   1.305   5.627   2.206
  566   HD12  ILE  66          1HD1      ILE  66   1.557   5.173   3.892
  567   HD13  ILE  66          2HD1      ILE  66   2.799   6.081   3.028
  568    HA   PRO  67           HA       PRO  67  -2.871  10.511   6.412
  569    HB2  PRO  67           2HB      PRO  67  -0.057  11.501   6.584
  570    HB3  PRO  67           1HB      PRO  67  -1.320  11.482   7.822
  571    HG2  PRO  67           2HG      PRO  67   0.636   9.694   7.893
  572    HG3  PRO  67           1HG      PRO  67  -1.030   9.217   8.267
  573    HD2  PRO  67           2HD      PRO  67   0.573   8.730   5.795
  574    HD3  PRO  67           1HD      PRO  67  -0.620   7.684   6.592
  575    H    LEU  68           H        LEU  68  -3.225  12.726   5.912
  576    HA   LEU  68           HA       LEU  68  -3.329  13.380   3.239
  577    HB2  LEU  68           2HB      LEU  68  -3.003  15.817   4.735
  578    HB3  LEU  68           1HB      LEU  68  -4.430  15.182   3.947
  579    HG   LEU  68           HG       LEU  68  -4.760  13.764   6.059
  580   HD11  LEU  68          1HD1      LEU  68  -3.008  15.864   7.303
  581   HD12  LEU  68          2HD1      LEU  68  -2.401  14.268   6.861
  582   HD13  LEU  68          3HD1      LEU  68  -3.694  14.421   8.050
  583   HD21  LEU  68          3HD2      LEU  68  -6.362  15.355   5.940
  584   HD22  LEU  68          1HD2      LEU  68  -5.205  16.656   5.665
  585   HD23  LEU  68          2HD2      LEU  68  -5.461  16.033   7.294
  586    H    LYS  69           H        LYS  69  -1.079  14.963   5.524
  587    HA   LYS  69           HA       LYS  69   0.525  16.142   3.567
  588    HB2  LYS  69           2HB      LYS  69   2.241  16.319   5.366
  589    HB3  LYS  69           1HB      LYS  69   0.650  16.888   5.852
  590    HG2  LYS  69           2HG      LYS  69   0.618  14.234   6.583
  591    HG3  LYS  69           1HG      LYS  69   2.274  14.736   6.930
  592    HD2  LYS  69           2HD      LYS  69   1.354  16.676   8.189
  593    HD3  LYS  69           1HD      LYS  69  -0.264  16.017   7.940
  594    HE2  LYS  69           2HE      LYS  69   0.856  13.851   8.966
  595    HE3  LYS  69           1HE      LYS  69   1.947  15.042   9.675
  596    HZ1  LYS  69           3HZ      LYS  69  -0.894  15.617   9.897
  597    HZ2  LYS  69           1HZ      LYS  69   0.348  15.835  11.026
  598    HZ3  LYS  69           2HZ      LYS  69  -0.336  14.303  10.803
  599    H    HIS  70           H        HIS  70   0.572  12.940   4.963
  600    HA   HIS  70           HA       HIS  70   3.120  12.139   4.076
  601    HB2  HIS  70           2HB      HIS  70   0.624  10.647   4.839
  602    HB3  HIS  70           1HB      HIS  70   2.034   9.791   4.221
  603    HD1  HIS  70           1HD      HIS  70   2.578   8.621   6.423
  604    HD2  HIS  70           2HD      HIS  70   2.447  12.763   6.733
  605    HE1  HIS  70           1HE      HIS  70   3.540   9.156   8.683
  606    HE2  HIS  70           2HE      HIS  70   3.364  11.661   8.887
  607    H    GLN  71           H        GLN  71   0.026  12.347   2.463
  608    HA   GLN  71           HA       GLN  71   0.552  10.665   0.279
  609    HB2  GLN  71           2HB      GLN  71  -1.235  13.062   0.617
  610    HB3  GLN  71           1HB      GLN  71  -1.122  12.211  -0.916
  611    HG2  GLN  71           2HG      GLN  71  -1.733  10.115   0.347
  612    HG3  GLN  71           1HG      GLN  71  -2.116  11.160   1.713
  613   HE21  GLN  71          1HE2      GLN  71  -3.196  13.317   0.279
  614   HE22  GLN  71          2HE2      GLN  71  -4.701  12.814  -0.405
  615    H    VAL  72           H        VAL  72   1.006  14.157   0.656
  616    HA   VAL  72           HA       VAL  72   2.102  14.663  -1.871
  617    HB   VAL  72           HB       VAL  72   2.818  16.125   0.672
  618   HG11  VAL  72          1HG1      VAL  72   2.506  17.549  -1.885
  619   HG12  VAL  72          2HG1      VAL  72   3.882  16.451  -1.787
  620   HG13  VAL  72          3HG1      VAL  72   3.707  17.751  -0.608
  621   HG21  VAL  72          3HG2      VAL  72   0.370  16.256  -1.052
  622   HG22  VAL  72          1HG2      VAL  72   0.913  17.662  -0.138
  623   HG23  VAL  72          2HG2      VAL  72   0.490  16.172   0.705
  624    H    GLU  73           H        GLU  73   3.721  14.011   1.237
  625    HA   GLU  73           HA       GLU  73   6.343  14.044   0.175
  626    HB2  GLU  73           2HB      GLU  73   5.840  14.289   2.586
  627    HB3  GLU  73           1HB      GLU  73   5.318  12.611   2.637
  628    HG2  GLU  73           2HG      GLU  73   7.493  12.605   3.490
  629    HG3  GLU  73           1HG      GLU  73   7.647  12.014   1.836
  630    H    TYR  74           H        TYR  74   3.895  11.562   0.427
  631    HA   TYR  74           HA       TYR  74   5.484   9.302  -0.039
  632    HB2  TYR  74           2HB      TYR  74   3.063   9.270   0.619
  633    HB3  TYR  74           1HB      TYR  74   2.656   9.751  -1.025
  634    HD1  TYR  74           2HD      TYR  74   3.993   7.037   1.072
  635    HD2  TYR  74           1HD      TYR  74   2.721   8.167  -2.828
  636    HE1  TYR  74           2HE      TYR  74   3.970   4.672   0.401
  637    HE2  TYR  74           1HE      TYR  74   2.693   5.804  -3.509
  638    HH   TYR  74           HH       TYR  74   4.214   3.436  -1.999
  639    H    ASP  75           H        ASP  75   4.003  11.638  -2.201
  640    HA   ASP  75           HA       ASP  75   4.797  10.328  -4.612
  641    HB2  ASP  75           2HB      ASP  75   3.682  13.031  -3.935
  642    HB3  ASP  75           1HB      ASP  75   4.320  12.725  -5.547
  643    H    GLN  76           H        GLN  76   6.201  12.721  -2.466
  644    HA   GLN  76           HA       GLN  76   8.229  13.652  -4.199
  645    HB2  GLN  76           2HB      GLN  76   7.771  13.685  -1.253
  646    HB3  GLN  76           1HB      GLN  76   9.380  14.070  -1.846
  647    HG2  GLN  76           2HG      GLN  76   8.708  16.016  -2.828
  648    HG3  GLN  76           1HG      GLN  76   7.057  15.450  -3.079
  649   HE21  GLN  76          1HE2      GLN  76   9.081  15.611  -0.176
  650   HE22  GLN  76          2HE2      GLN  76   7.996  16.598   0.737
  651    H    LEU  77           H        LEU  77   7.943  10.812  -2.196
  652    HA   LEU  77           HA       LEU  77  10.751  10.132  -2.520
  653    HB2  LEU  77           2HB      LEU  77   8.470   8.768  -1.099
  654    HB3  LEU  77           1HB      LEU  77  10.080   8.079  -1.215
  655    HG   LEU  77           HG       LEU  77   9.495  10.752   0.053
  656   HD11  LEU  77          1HD1      LEU  77   8.435   9.355   1.533
  657   HD12  LEU  77          2HD1      LEU  77  10.085   9.318   2.158
  658   HD13  LEU  77          3HD1      LEU  77   9.487   7.988   1.166
  659   HD21  LEU  77          3HD2      LEU  77  11.856   9.826  -0.884
  660   HD22  LEU  77          1HD2      LEU  77  11.884   9.189   0.760
  661   HD23  LEU  77          2HD2      LEU  77  11.697  10.921   0.489
  662    H    THR  78           H        THR  78   7.587   9.055  -3.621
  663    HA   THR  78           HA       THR  78   8.592   6.796  -5.063
  664    HB   THR  78           HB       THR  78   6.332   6.605  -5.955
  665    HG1  THR  78           1HG      THR  78   5.942   8.836  -6.282
  666   HG21  THR  78          3HG2      THR  78   5.797   5.689  -4.018
  667   HG22  THR  78          1HG2      THR  78   5.212   7.269  -3.493
  668   HG23  THR  78          2HG2      THR  78   6.870   6.781  -3.143
  669    HA   PRO  79           HA       PRO  79   9.918   8.602  -8.851
  670    HB2  PRO  79           2HB      PRO  79   8.866   6.849 -10.690
  671    HB3  PRO  79           1HB      PRO  79  10.329   6.543  -9.748
  672    HG2  PRO  79           2HG      PRO  79   7.533   5.593  -9.270
  673    HG3  PRO  79           1HG      PRO  79   9.060   4.708  -9.103
  674    HD2  PRO  79           2HD      PRO  79   7.760   5.687  -6.969
  675    HD3  PRO  79           1HD      PRO  79   9.533   5.662  -7.044
  676    H    ARG  80           H        ARG  80   8.814   8.749 -11.297
  677    HA   ARG  80           HA       ARG  80   6.058   9.581 -11.181
  678    HB2  ARG  80           2HB      ARG  80   7.687  11.493 -10.327
  679    HB3  ARG  80           1HB      ARG  80   7.916  11.747 -12.052
  680    HG2  ARG  80           2HG      ARG  80   5.119  11.512 -11.176
  681    HG3  ARG  80           1HG      ARG  80   5.990  12.929 -10.584
  682    HD2  ARG  80           2HD      ARG  80   6.083  12.158 -13.479
  683    HD3  ARG  80           1HD      ARG  80   4.731  13.088 -12.833
  684    HE   ARG  80           HE       ARG  80   7.304  14.190 -12.182
  685   HH11  ARG  80          1HH1      ARG  80   4.763  14.077 -14.573
  686   HH12  ARG  80          2HH1      ARG  80   5.178  15.606 -15.268
  687   HH21  ARG  80          1HH2      ARG  80   7.849  16.205 -13.096
  688   HH22  ARG  80          2HH2      ARG  80   6.929  16.816 -14.430