*HEADER    STRUCTURAL GENOMICS, UNKNOWN FUNCTION   29-DEC-04   1YEZ              
*TITLE     SOLUTION STRUCTURE OF THE HYPOTHETICAL CONSERVED PROTEIN              
*TITLE    2 FROM THE GENE LOCUS MM1357 OF METHANOSARCINA MAZEI.                  
*TITLE    3 NORTHEAST STRUCTURAL GENOMICS TARGET MAR30.                          
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: HYPOTHETICAL PROTEIN MM1357;                               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: METHANOSARCINA MAZEI GO1;                       
*SOURCE   3 ORGANISM_COMMON: ARCHAEA;                                            
*SOURCE   4 GENE: LOCUS MM1357;                                                  
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21MGK;                                   
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR: PET21;                                     
*SOURCE  10 EXPRESSION_SYSTEM_PLASMID: MAR30-21.1                                
*KEYWDS    MAR30, NMR STRUCTURE, AUTOSTRUCTURE, NORTHEAST STRUCTURAL             
*KEYWDS   2 GENOMICS, PSI, PROTEIN STRUCTURE INITIATIVE, NORTHEAST               
*KEYWDS   3 STRUCTURAL GENOMICS CONSORTIUM, NESG                                 
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    P.ROSSI, J.M.ARAMINI, G.V.T.SWAPNA, Y.P.HUANG, R.XIAO,                
*AUTHOR   2 C.K.HO, L.C.MA, T.B.ACTON, G.T.MONTELIONE, NORTHEAST                 
*AUTHOR   3 STRUCTURAL GENOMICS CONSORTIUM (NESG)                                
*REVDAT   1   22-FEB-05 1YEZ    0                                                
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assign (resid 49 and name HN )(resid 49 and name HB# ) 3.0 1.2 0.5
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assign (resid 49 and name HN )(resid 50 and name HG1# ) 4.0 2.2 1
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assign (resid 49 and name HA )(resid 49 and name HG2 ) 4.0 2.2 1
assign (resid 49 and name HA )(resid 49 and name HG1 ) 4.0 2.2 1
assign (resid 49 and name HA )(resid 50 and name HN ) 2.5 0.7 0.4
assign (resid 49 and name HA )(resid 50 and name HG2# ) 4.0 2.2 1
assign (resid 49 and name HB# )(resid 50 and name HN ) 4.0 2.2 1
assign (resid 49 and name HG# )(resid 50 and name HN ) 4.0 2.2 1
assign (resid 50 and name HN )(resid 50 and name HA ) 3.0 1.2 0.5
assign (resid 50 and name HN )(resid 50 and name HB ) 4.0 2.2 1
assign (resid 50 and name HN )(resid 50 and name HG1# ) 4.0 2.2 1
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assign (resid 50 and name HA )(resid 50 and name HG1# ) 4.0 2.2 1
assign (resid 50 and name HA )(resid 50 and name HG2# ) 4.0 2.2 1
assign (resid 50 and name HA )(resid 51 and name HN ) 3.0 1.2 0.5
assign (resid 50 and name HA )(resid 51 and name HG# ) 4.0 2.2 1
assign (resid 50 and name HB )(resid 51 and name HN ) 4.0 2.2 1
assign (resid 50 and name HG1# )(resid 51 and name HN ) 4.0 2.2 1
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assign (resid 50 and name HG1# )(resid 68 and name HA ) 4.0 2.2 1
assign (resid 51 and name HN )(resid 51 and name HA ) 4.0 2.2 1
assign (resid 51 and name HN )(resid 51 and name HB# ) 4.0 2.2 1
assign (resid 51 and name HN )(resid 51 and name HG2 ) 4.0 2.2 1
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assign (resid 51 and name HN )(resid 52 and name HN ) 4.0 2.2 1
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assign (resid 51 and name HN )(resid 68 and name HN ) 4.0 2.2 1
assign (resid 51 and name HN )(resid 68 and name HA ) 4.0 2.2 1
assign (resid 51 and name HA )(resid 51 and name HG2 ) 4.0 2.2 1
assign (resid 51 and name HA )(resid 51 and name HG1 ) 4.0 2.2 1
assign (resid 51 and name HA )(resid 52 and name HN ) 3.0 1.2 0.5
assign (resid 51 and name HA )(resid 52 and name HG2# ) 4.0 2.2 1
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assign (resid 51 and name HB# )(resid 68 and name HN ) 4.0 2.2 1
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assign (resid 52 and name HN )(resid 52 and name HA ) 4.0 2.2 1
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assign (resid 52 and name HN )(resid 52 and name HG11 ) 4.0 2.2 1
assign (resid 52 and name HN )(resid 52 and name HG2# ) 4.0 2.2 1
assign (resid 52 and name HN )(resid 52 and name HD1# ) 4.0 2.2 1
assign (resid 52 and name HN )(resid 53 and name HN ) 4.0 2.2 1
assign (resid 52 and name HA )(resid 52 and name HG1# ) 4.0 2.2 1
assign (resid 52 and name HA )(resid 52 and name HG2# ) 4.0 2.2 1
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assign (resid 52 and name HA )(resid 66 and name HA ) 4.0 2.2 1
assign (resid 52 and name HA )(resid 67 and name HN ) 3.0 1.2 0.5
assign (resid 52 and name HA )(resid 67 and name HG## ) 4.0 2.2 1
assign (resid 52 and name HB )(resid 52 and name HD1# ) 4.0 2.2 1
assign (resid 52 and name HB )(resid 53 and name HN ) 4.0 2.2 1
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assign (resid 52 and name HG2# )(resid 53 and name HN ) 4.0 2.2 1
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assign (resid 52 and name HG2# )(resid 66 and name HA ) 4.0 2.2 1
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assign (resid 53 and name HN )(resid 53 and name HA ) 4.0 2.2 1
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assign (resid 53 and name HA )(resid 53 and name HD# ) 4.0 2.2 1
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assign (resid 54 and name HN )(resid 54 and name HA ) 4.0 2.2 1
assign (resid 54 and name HN )(resid 54 and name HB ) 3.0 1.2 0.5
assign (resid 54 and name HN )(resid 54 and name HG1# ) 4.0 2.2 1
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assign (resid 54 and name HN )(resid 55 and name HN ) 4.0 2.2 1
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assign (resid 54 and name HA )(resid 54 and name HG1# ) 4.0 2.2 1
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assign (resid 54 and name HA )(resid 55 and name HN ) 3.0 1.2 0.5
assign (resid 54 and name HA )(resid 55 and name HB# ) 4.0 2.2 1
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assign (resid 54 and name HA )(resid 64 and name HA ) 4.0 2.2 1
assign (resid 54 and name HA )(resid 64 and name HB# ) 4.0 2.2 1
assign (resid 54 and name HA )(resid 65 and name HN ) 4.0 2.2 1
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assign (resid 54 and name HG2# )(resid 55 and name HN ) 4.0 2.2 1
assign (resid 54 and name HG1# )(resid 56 and name HN ) 4.0 2.2 1
assign (resid 54 and name HG2# )(resid 56 and name HN ) 4.0 2.2 1
assign (resid 54 and name HG1# )(resid 56 and name HB# ) 4.0 2.2 1
assign (resid 54 and name HG1# )(resid 57 and name HG1# ) 4.0 2.2 1
assign (resid 54 and name HG1# )(resid 57 and name HG2# ) 4.0 2.2 1
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assign (resid 54 and name HG1# )(resid 63 and name HN ) 4.0 2.2 1
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assign (resid 55 and name HN )(resid 55 and name HG# ) 4.0 2.2 1
assign (resid 55 and name HN )(resid 56 and name HN ) 3.0 1.2 0.5
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assign (resid 55 and name HA )(resid 55 and name HG# ) 4.0 2.2 1
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assign (resid 55 and name HG# )(resid 64 and name HA ) 4.0 2.2 1
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assign (resid 55 and name HG# )(resid 65 and name HB# ) 4.0 2.2 1
assign (resid 56 and name HN )(resid 56 and name HA ) 3.0 1.2 0.5
assign (resid 56 and name HN )(resid 56 and name HB# ) 4.0 2.2 1
assign (resid 56 and name HN )(resid 56 and name HG# ) 4.0 2.2 1
assign (resid 56 and name HN )(resid 56 and name HD# ) 4.0 2.2 1
assign (resid 56 and name HN )(resid 57 and name HN ) 4.0 2.2 1
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assign (resid 56 and name HA )(resid 56 and name HG# ) 4.0 2.2 1
assign (resid 56 and name HA )(resid 56 and name HD# ) 4.0 2.2 1
assign (resid 56 and name HA )(resid 57 and name HN ) 3.0 1.2 0.5
assign (resid 56 and name HA )(resid 57 and name HG2# ) 4.0 2.2 1
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assign (resid 56 and name HB# )(resid 57 and name HN ) 4.0 2.2 1
assign (resid 56 and name HB# )(resid 63 and name HN ) 4.0 2.2 1
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assign (resid 56 and name HB# )(resid 63 and name HB1 ) 4.0 2.2 1
assign (resid 56 and name HB# )(resid 63 and name HD# ) 4.0 2.2 1
assign (resid 56 and name HG# )(resid 57 and name HN ) 4.0 2.2 1
assign (resid 56 and name HD# )(resid 57 and name HN ) 4.0 2.2 1
assign (resid 57 and name HN )(resid 57 and name HA ) 4.0 2.2 1
assign (resid 57 and name HN )(resid 57 and name HB ) 4.0 2.2 1
assign (resid 57 and name HN )(resid 57 and name HG1# ) 4.0 2.2 1
assign (resid 57 and name HN )(resid 57 and name HG2# ) 4.0 2.2 1
assign (resid 57 and name HN )(resid 58 and name HN ) 4.0 2.2 1
assign (resid 57 and name HA )(resid 57 and name HG1# ) 4.0 2.2 1
assign (resid 57 and name HA )(resid 57 and name HG2# ) 4.0 2.2 1
assign (resid 57 and name HA )(resid 58 and name HN ) 3.0 1.2 0.5
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assign (resid 57 and name HB )(resid 58 and name HN ) 4.0 2.2 1
assign (resid 57 and name HG1# )(resid 58 and name HN ) 4.0 2.2 1
assign (resid 57 and name HG2# )(resid 58 and name HN ) 4.0 2.2 1
assign (resid 57 and name HG1# )(resid 62 and name HA ) 4.0 2.2 1
assign (resid 57 and name HG1# )(resid 62 and name HB# ) 4.0 2.2 1
assign (resid 58 and name HN )(resid 58 and name HA ) 4.0 2.2 1
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assign (resid 58 and name HN )(resid 58 and name HG ) 4.0 2.2 1
assign (resid 58 and name HN )(resid 59 and name HD# ) 4.0 2.2 1
assign (resid 58 and name HN )(resid 61 and name HN ) 4.0 2.2 1
assign (resid 58 and name HN )(resid 62 and name HA ) 4.0 2.2 1
assign (resid 58 and name HN )(resid 62 and name HB# ) 4.0 2.2 1
assign (resid 58 and name HN )(resid 63 and name HN ) 4.0 2.2 1
assign (resid 58 and name HA )(resid 58 and name HG ) 4.0 2.2 1
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assign (resid 58 and name HB1 )(resid 59 and name HD1 ) 4.0 2.2 1
assign (resid 58 and name HB# )(resid 60 and name HN ) 4.0 2.2 1
assign (resid 58 and name HB2 )(resid 61 and name HN ) 4.0 2.2 1
assign (resid 58 and name HB1 )(resid 61 and name HN ) 4.0 2.2 1
assign (resid 58 and name HB# )(resid 61 and name HD# ) 4.0 2.2 1
assign (resid 59 and name HA )(resid 60 and name HN ) 4.0 2.2 1
assign (resid 59 and name HB2 )(resid 60 and name HN ) 4.0 2.2 1
assign (resid 59 and name HB1 )(resid 60 and name HN ) 4.0 2.2 1
assign (resid 59 and name HG2 )(resid 60 and name HN ) 4.0 2.2 1
assign (resid 59 and name HG1 )(resid 60 and name HN ) 4.0 2.2 1
assign (resid 59 and name HD# )(resid 60 and name HN ) 4.0 2.2 1
assign (resid 60 and name HN )(resid 60 and name HA ) 4.0 2.2 1
assign (resid 60 and name HN )(resid 60 and name HB2 ) 4.0 2.2 1
assign (resid 60 and name HN )(resid 60 and name HB1 ) 4.0 2.2 1
assign (resid 60 and name HN )(resid 61 and name HN ) 3.0 1.2 0.5
assign (resid 60 and name HA )(resid 60 and name HG2 ) 4.0 2.2 1
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assign (resid 60 and name HA )(resid 60 and name HD# ) 4.0 2.2 1
assign (resid 60 and name HA )(resid 61 and name HN ) 4.0 2.2 1
assign (resid 60 and name HB# )(resid 60 and name HE# ) 4.0 2.2 1
assign (resid 60 and name HB# )(resid 61 and name HN ) 4.0 2.2 1
assign (resid 60 and name HB2 )(resid 61 and name HD# ) 4.0 2.2 1
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assign (resid 61 and name HN )(resid 61 and name HA ) 4.0 2.2 1
assign (resid 61 and name HN )(resid 61 and name HB# ) 4.0 2.2 1
assign (resid 61 and name HN )(resid 62 and name HN ) 4.0 2.2 1
assign (resid 61 and name HA )(resid 61 and name HD# ) 4.0 2.2 1
assign (resid 61 and name HA )(resid 62 and name HN ) 3.0 1.2 0.5
assign (resid 61 and name HA )(resid 62 and name HB# ) 4.0 2.2 1
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assign (resid 61 and name HB1 )(resid 61 and name HD# ) 4.0 2.2 1
assign (resid 61 and name HB# )(resid 62 and name HN ) 3.0 1.2 0.5
assign (resid 61 and name HB# )(resid 62 and name HB# ) 4.0 2.2 1
assign (resid 61 and name HD# )(resid 62 and name HN ) 4.0 2.2 1
assign (resid 61 and name HD# )(resid 62 and name HB# ) 4.0 2.2 1
assign (resid 61 and name HD# )(resid 63 and name HD# ) 4.0 2.2 1
assign (resid 62 and name HN )(resid 62 and name HA ) 4.0 2.2 1
assign (resid 62 and name HN )(resid 62 and name HB# ) 4.0 2.2 1
assign (resid 62 and name HN )(resid 63 and name HN ) 4.0 2.2 1
assign (resid 62 and name HA )(resid 63 and name HN ) 4.0 2.2 1
assign (resid 62 and name HB# )(resid 63 and name HN ) 4.0 2.2 1
assign (resid 63 and name HN )(resid 63 and name HA ) 3.0 1.2 0.5
assign (resid 63 and name HN )(resid 63 and name HB2 ) 4.0 2.2 1
assign (resid 63 and name HN )(resid 63 and name HB1 ) 4.0 2.2 1
assign (resid 63 and name HN )(resid 63 and name HD# ) 4.0 2.2 1
assign (resid 63 and name HA )(resid 63 and name HD# ) 4.0 2.2 1
assign (resid 63 and name HA )(resid 64 and name HN ) 3.0 1.2 0.5
assign (resid 63 and name HA )(resid 64 and name HB# ) 4.0 2.2 1
assign (resid 63 and name HB2 )(resid 63 and name HD# ) 4.0 2.2 1
assign (resid 63 and name HB1 )(resid 63 and name HD# ) 4.0 2.2 1
assign (resid 63 and name HB2 )(resid 64 and name HN ) 4.0 2.2 1
assign (resid 63 and name HB1 )(resid 64 and name HN ) 4.0 2.2 1
assign (resid 63 and name HD# )(resid 64 and name HN ) 4.0 2.2 1
assign (resid 64 and name HN )(resid 64 and name HA ) 4.0 2.2 1
assign (resid 64 and name HN )(resid 64 and name HB# ) 4.0 2.2 1
assign (resid 64 and name HA )(resid 65 and name HN ) 4.0 2.2 1
assign (resid 64 and name HB# )(resid 65 and name HN ) 4.0 2.2 1
assign (resid 64 and name HB# )(resid 65 and name HA ) 4.0 2.2 1
assign (resid 65 and name HN )(resid 65 and name HA ) 4.0 2.2 1
assign (resid 65 and name HN )(resid 65 and name HB# ) 4.0 2.2 1
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assign (resid 66 and name HN )(resid 66 and name HA ) 4.0 2.2 1
assign (resid 66 and name HN )(resid 66 and name HB ) 3.0 1.2 0.5
assign (resid 66 and name HN )(resid 66 and name HG1# ) 4.0 2.2 1
assign (resid 66 and name HN )(resid 66 and name HG2# ) 4.0 2.2 1
assign (resid 66 and name HN )(resid 67 and name HN ) 4.0 2.2 1
assign (resid 66 and name HA )(resid 66 and name HG1# ) 4.0 2.2 1
assign (resid 66 and name HA )(resid 66 and name HG2# ) 4.0 2.2 1
assign (resid 66 and name HA )(resid 67 and name HN ) 3.0 1.2 0.5
assign (resid 66 and name HB )(resid 67 and name HN ) 4.0 2.2 1
assign (resid 66 and name HG1# )(resid 67 and name HN ) 4.0 2.2 1
assign (resid 66 and name HG2# )(resid 67 and name HN ) 4.0 2.2 1
assign (resid 66 and name HG1# )(resid 68 and name HN ) 4.0 2.2 1
assign (resid 66 and name HG1# )(resid 68 and name HA ) 4.0 2.2 1
assign (resid 66 and name HG1# )(resid 68 and name HG# ) 4.0 2.2 1
assign (resid 67 and name HN )(resid 67 and name HA ) 4.0 2.2 1
assign (resid 67 and name HN )(resid 67 and name HB ) 4.0 2.2 1
assign (resid 67 and name HN )(resid 67 and name HG## ) 4.0 2.2 1
assign (resid 67 and name HN )(resid 68 and name HN ) 3.0 1.2 0.5
assign (resid 67 and name HA )(resid 67 and name HG## ) 4.0 2.2 1
assign (resid 67 and name HA )(resid 68 and name HN ) 2.5 0.7 0.4
assign (resid 67 and name HB )(resid 68 and name HN ) 4.0 2.2 1
assign (resid 67 and name HG## )(resid 68 and name HN ) 4.0 2.2 1
assign (resid 67 and name HG2# )(resid 68 and name HN ) 4.0 2.2 1
assign (resid 68 and name HN )(resid 68 and name HA ) 3.0 1.2 0.5
assign (resid 68 and name HN )(resid 68 and name HB2 ) 4.0 2.2 1
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assign (resid 68 and name HN )(resid 68 and name HG# ) 4.0 2.2 1
assign (resid 68 and name HA )(resid 68 and name HG# ) 4.0 2.2 1

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET   1          1HT       MET   1 -14.033  16.212 -13.142
    2   2H    MET   1          2HT       MET   1 -14.026  17.792 -12.538
    3   3H    MET   1          3HT       MET   1 -14.602  17.488 -14.101
    4    HA   MET   1           HA       MET   1 -16.492  16.355 -13.308
    5   1HB   MET   1          2HB       MET   1 -14.850  15.726 -11.163
    6   2HB   MET   1          1HB       MET   1 -16.037  16.810 -10.454
    7   1HG   MET   1          2HG       MET   1 -16.643  14.294 -11.990
    8   2HG   MET   1          1HG       MET   1 -16.698  14.479 -10.238
    9   1HE   MET   1          1HE       MET   1 -19.188  13.424 -10.393
   10   2HE   MET   1          2HE       MET   1 -19.090  13.379 -12.154
   11   3HE   MET   1          3HE       MET   1 -20.475  14.136 -11.367
   12    H    PHE   2           H        PHE   2 -18.411  17.487 -12.641
   13    HA   PHE   2           HA       PHE   2 -18.073  20.354 -12.461
   14   1HB   PHE   2          2HB       PHE   2 -20.495  20.492 -12.611
   15   2HB   PHE   2          1HB       PHE   2 -19.899  19.378 -13.834
   16    HD1  PHE   2           HD1      PHE   2 -21.762  19.690 -10.698
   17    HD2  PHE   2           HD2      PHE   2 -20.425  17.034 -13.740
   18    HE1  PHE   2           HE1      PHE   2 -23.336  17.982  -9.889
   19    HE2  PHE   2           HE2      PHE   2 -21.993  15.319 -12.936
   20    HZ   PHE   2           HZ       PHE   2 -23.452  15.793 -11.009
   21    H    ARG   3           H        ARG   3 -18.446  17.709 -10.363
   22    HA   ARG   3           HA       ARG   3 -19.208  19.395  -8.096
   23   1HB   ARG   3          2HB       ARG   3 -20.371  17.247  -8.324
   24   2HB   ARG   3          1HB       ARG   3 -18.833  16.396  -8.304
   25   1HG   ARG   3          2HG       ARG   3 -18.451  17.260  -6.005
   26   2HG   ARG   3          1HG       ARG   3 -20.075  17.950  -6.044
   27   1HD   ARG   3          2HD       ARG   3 -21.018  15.731  -6.387
   28   2HD   ARG   3          1HD       ARG   3 -19.400  15.033  -6.386
   29    HE   ARG   3           HE       ARG   3 -19.904  16.498  -3.994
   30   1HH1  ARG   3          1HH1      ARG   3 -20.492  13.443  -5.606
   31   2HH1  ARG   3          2HH1      ARG   3 -20.780  12.569  -4.130
   32   1HH2  ARG   3          1HH2      ARG   3 -20.255  15.342  -2.040
   33   2HH2  ARG   3          2HH2      ARG   3 -20.643  13.642  -2.105
   34    H    GLU   4           H        GLU   4 -17.771  20.044  -6.619
   35    HA   GLU   4           HA       GLU   4 -14.997  19.758  -7.013
   36   1HB   GLU   4          2HB       GLU   4 -16.326  20.484  -4.400
   37   2HB   GLU   4          1HB       GLU   4 -14.724  20.943  -4.949
   38   1HG   GLU   4          2HG       GLU   4 -15.837  22.887  -5.320
   39   2HG   GLU   4          1HG       GLU   4 -16.082  22.104  -6.880
   40    H    GLU   5           H        GLU   5 -13.463  18.500  -5.985
   41    HA   GLU   5           HA       GLU   5 -14.417  15.987  -4.932
   42   1HB   GLU   5          2HB       GLU   5 -11.584  17.012  -5.181
   43   2HB   GLU   5          1HB       GLU   5 -12.059  15.350  -4.870
   44   1HG   GLU   5          2HG       GLU   5 -13.156  15.289  -7.079
   45   2HG   GLU   5          1HG       GLU   5 -12.564  16.922  -7.384
   46    H    SER   6           H        SER   6 -14.767  15.570  -2.850
   47    HA   SER   6           HA       SER   6 -14.184  17.489  -0.816
   48   1HB   SER   6          2HB       SER   6 -15.112  15.691   0.695
   49   2HB   SER   6          1HB       SER   6 -16.186  16.158  -0.626
   50    HG   SER   6           HG       SER   6 -15.193  13.746  -0.063
   51    H    ARG   7           H        ARG   7 -12.363  15.149  -2.325
   52    HA   ARG   7           HA       ARG   7 -10.349  14.197  -1.987
   53   1HB   ARG   7          2HB       ARG   7 -10.237  16.389   0.060
   54   2HB   ARG   7          1HB       ARG   7  -8.926  15.222  -0.073
   55   1HG   ARG   7          2HG       ARG   7  -9.931  16.997  -2.292
   56   2HG   ARG   7          1HG       ARG   7  -8.461  17.251  -1.345
   57   1HD   ARG   7          2HD       ARG   7  -8.722  14.596  -2.591
   58   2HD   ARG   7          1HD       ARG   7  -8.552  15.939  -3.717
   59    HE   ARG   7           HE       ARG   7  -6.382  16.235  -3.023
   60   1HH1  ARG   7          1HH1      ARG   7  -7.944  13.994  -0.804
   61   2HH1  ARG   7          2HH1      ARG   7  -6.446  13.441  -0.125
   62   1HH2  ARG   7          1HH2      ARG   7  -4.428  15.466  -2.148
   63   2HH2  ARG   7          2HH2      ARG   7  -4.463  14.280  -0.871
   64    H    SER   8           H        SER   8 -12.800  13.306  -0.522
   65    HA   SER   8           HA       SER   8 -11.969  12.056   1.878
   66   1HB   SER   8          2HB       SER   8 -14.156  11.169  -0.024
   67   2HB   SER   8          1HB       SER   8 -14.021  10.772   1.689
   68    HG   SER   8           HG       SER   8 -14.588  12.793   2.240
   69    H    VAL   9           H        VAL   9 -10.062  10.969   1.633
   70    HA   VAL   9           HA       VAL   9  -9.934   8.866  -0.407
   71    HB   VAL   9           HB       VAL   9  -7.442   8.988  -0.029
   72   1HG1  VAL   9          1HG1      VAL   9  -8.805  11.489  -1.021
   73   2HG1  VAL   9          2HG1      VAL   9  -8.482  10.033  -1.964
   74   3HG1  VAL   9          3HG1      VAL   9  -7.144  11.017  -1.373
   75   1HG2  VAL   9          1HG2      VAL   9  -7.459  10.059   2.159
   76   2HG2  VAL   9          2HG2      VAL   9  -8.181  11.506   1.457
   77   3HG2  VAL   9          3HG2      VAL   9  -6.547  11.025   1.000
   78    HA   PRO  10           HA       PRO  10  -9.760   5.722   2.663
   79   1HB   PRO  10          2HB       PRO  10  -7.578   4.371   1.275
   80   2HB   PRO  10          1HB       PRO  10  -9.256   3.869   1.471
   81   1HG   PRO  10          2HG       PRO  10  -8.190   4.695  -0.900
   82   2HG   PRO  10          1HG       PRO  10  -9.906   4.831  -0.490
   83   1HD   PRO  10          2HD       PRO  10  -7.801   6.932  -0.543
   84   2HD   PRO  10          1HD       PRO  10  -9.535   7.053  -0.884
   85    H    VAL  11           H        VAL  11  -6.570   6.871   1.570
   86    HA   VAL  11           HA       VAL  11  -5.553   6.355   4.278
   87    HB   VAL  11           HB       VAL  11  -3.360   5.748   3.290
   88   1HG1  VAL  11          1HG1      VAL  11  -4.891   4.001   3.993
   89   2HG1  VAL  11          2HG1      VAL  11  -4.004   3.498   2.554
   90   3HG1  VAL  11          3HG1      VAL  11  -5.680   4.031   2.415
   91   1HG2  VAL  11          1HG2      VAL  11  -3.578   6.858   1.135
   92   2HG2  VAL  11          2HG2      VAL  11  -4.878   5.755   0.681
   93   3HG2  VAL  11          3HG2      VAL  11  -3.241   5.140   0.914
   94    H    GLU  12           H        GLU  12  -4.101   7.744   5.124
   95    HA   GLU  12           HA       GLU  12  -3.389  10.130   3.540
   96   1HB   GLU  12          2HB       GLU  12  -4.402   9.863   6.324
   97   2HB   GLU  12          1HB       GLU  12  -3.153  11.066   6.043
   98   1HG   GLU  12          2HG       GLU  12  -5.765  10.918   4.557
   99   2HG   GLU  12          1HG       GLU  12  -5.431  11.980   5.924
  100    H    GLU  13           H        GLU  13  -1.417  11.245   4.570
  101    HA   GLU  13           HA       GLU  13   0.766   9.446   4.465
  102   1HB   GLU  13          2HB       GLU  13   0.748  12.301   5.459
  103   2HB   GLU  13          1HB       GLU  13   2.153  11.392   4.918
  104   1HG   GLU  13          2HG       GLU  13   1.175  11.260   2.670
  105   2HG   GLU  13          1HG       GLU  13  -0.189  12.225   3.224
  106    H    GLY  14           H        GLY  14   1.583   8.202   6.007
  107   1HA   GLY  14          2HA       GLY  14   2.709   7.967   8.074
  108   2HA   GLY  14          1HA       GLY  14   1.719   9.251   8.738
  109    H    GLU  15           H        GLU  15   0.199   6.673   6.952
  110    HA   GLU  15           HA       GLU  15  -0.998   5.804   9.503
  111   1HB   GLU  15          2HB       GLU  15  -2.076   5.510   6.696
  112   2HB   GLU  15          1HB       GLU  15  -2.873   4.948   8.159
  113   1HG   GLU  15          2HG       GLU  15  -2.836   7.349   8.946
  114   2HG   GLU  15          1HG       GLU  15  -2.354   7.778   7.305
  115    H    VAL  16           H        VAL  16  -1.807   3.438   9.399
  116    HA   VAL  16           HA       VAL  16   0.048   1.718   7.942
  117    HB   VAL  16           HB       VAL  16   1.159   2.072  10.080
  118   1HG1  VAL  16          1HG1      VAL  16   0.155   1.372  12.193
  119   2HG1  VAL  16          2HG1      VAL  16  -1.356   1.009  11.357
  120   3HG1  VAL  16          3HG1      VAL  16  -0.770   2.670  11.437
  121   1HG2  VAL  16          1HG2      VAL  16  -0.071  -0.674   9.861
  122   2HG2  VAL  16          2HG2      VAL  16   1.353  -0.270  10.820
  123   3HG2  VAL  16          3HG2      VAL  16   1.400  -0.113   9.064
  124    H    TYR  17           H        TYR  17  -0.926  -0.042   7.145
  125    HA   TYR  17           HA       TYR  17  -3.482  -0.899   8.318
  126   1HB   TYR  17          2HB       TYR  17  -2.972  -0.334   5.392
  127   2HB   TYR  17          1HB       TYR  17  -4.389  -1.183   6.000
  128    HD1  TYR  17           HD1      TYR  17  -6.213   0.005   6.964
  129    HD2  TYR  17           HD2      TYR  17  -2.629   2.063   5.952
  130    HE1  TYR  17           HE1      TYR  17  -7.353   2.153   7.316
  131    HE2  TYR  17           HE2      TYR  17  -3.759   4.214   6.302
  132    HH   TYR  17           HH       TYR  17  -5.823   5.205   6.508
  133    H    ASP  18           H        ASP  18  -3.886  -3.058   8.272
  134    HA   ASP  18           HA       ASP  18  -1.757  -4.841   7.461
  135   1HB   ASP  18          2HB       ASP  18  -4.497  -5.388   8.637
  136   2HB   ASP  18          1HB       ASP  18  -3.315  -6.638   8.271
  137    H    VAL  19           H        VAL  19  -1.603  -4.861   5.261
  138    HA   VAL  19           HA       VAL  19  -4.089  -5.313   3.744
  139    HB   VAL  19           HB       VAL  19  -2.993  -4.304   1.814
  140   1HG1  VAL  19          1HG1      VAL  19  -2.870  -1.985   2.627
  141   2HG1  VAL  19          2HG1      VAL  19  -2.853  -2.581   4.286
  142   3HG1  VAL  19          3HG1      VAL  19  -4.269  -2.845   3.269
  143   1HG2  VAL  19          1HG2      VAL  19  -0.708  -4.913   2.230
  144   2HG2  VAL  19          2HG2      VAL  19  -0.665  -3.930   3.693
  145   3HG2  VAL  19          3HG2      VAL  19  -0.808  -3.155   2.114
  146    H    THR  20           H        THR  20  -3.972  -6.633   1.877
  147    HA   THR  20           HA       THR  20  -1.754  -8.562   1.888
  148    HB   THR  20           HB       THR  20  -4.494  -8.985   0.669
  149    HG1  THR  20           HG1      THR  20  -4.302  -8.696   3.110
  150   1HG2  THR  20          1HG2      THR  20  -2.671 -10.402  -0.189
  151   2HG2  THR  20          2HG2      THR  20  -3.868 -11.336   0.711
  152   3HG2  THR  20          3HG2      THR  20  -2.320 -10.930   1.457
  153    H    ILE  21           H        ILE  21  -0.433  -8.488   0.167
  154    HA   ILE  21           HA       ILE  21  -0.827  -6.548  -1.877
  155    HB   ILE  21           HB       ILE  21   1.168  -8.818  -1.804
  156   1HG1  ILE  21          2HG1      ILE  21   1.338  -7.405   0.185
  157   2HG1  ILE  21          1HG1      ILE  21   2.718  -7.150  -0.873
  158   1HG2  ILE  21          1HG2      ILE  21   2.478  -7.411  -3.325
  159   2HG2  ILE  21          2HG2      ILE  21   1.161  -6.239  -3.364
  160   3HG2  ILE  21          3HG2      ILE  21   0.921  -7.856  -4.024
  161   1HD1  ILE  21          1HD1      ILE  21   0.321  -5.343  -0.660
  162   2HD1  ILE  21          2HD1      ILE  21   1.734  -5.076  -1.683
  163   3HD1  ILE  21          3HD1      ILE  21   1.900  -5.060   0.073
  164    H    GLN  22           H        GLN  22  -2.506  -6.857  -3.209
  165    HA   GLN  22           HA       GLN  22  -3.292  -9.491  -4.073
  166   1HB   GLN  22          2HB       GLN  22  -4.371  -6.783  -4.871
  167   2HB   GLN  22          1HB       GLN  22  -5.127  -8.333  -5.208
  168   1HG   GLN  22          2HG       GLN  22  -4.671  -7.126  -2.489
  169   2HG   GLN  22          1HG       GLN  22  -6.210  -7.233  -3.345
  170   1HE2  GLN  22          1HE2      GLN  22  -7.240  -9.225  -3.515
  171   2HE2  GLN  22          2HE2      GLN  22  -6.808 -10.576  -2.508
  172    H    ASP  23           H        ASP  23  -1.659  -6.703  -5.469
  173    HA   ASP  23           HA       ASP  23  -1.037  -8.369  -7.805
  174   1HB   ASP  23          2HB       ASP  23  -2.978  -6.846  -8.320
  175   2HB   ASP  23          1HB       ASP  23  -1.904  -5.482  -8.042
  176    H    ILE  24           H        ILE  24   0.728  -7.198  -9.170
  177    HA   ILE  24           HA       ILE  24   2.499  -5.558  -7.549
  178    HB   ILE  24           HB       ILE  24   3.278  -8.292  -8.570
  179   1HG1  ILE  24          2HG1      ILE  24   3.457  -6.960  -5.858
  180   2HG1  ILE  24          1HG1      ILE  24   2.394  -8.290  -6.313
  181   1HG2  ILE  24          1HG2      ILE  24   5.122  -6.085  -7.669
  182   2HG2  ILE  24          2HG2      ILE  24   4.980  -6.723  -9.306
  183   3HG2  ILE  24          3HG2      ILE  24   5.600  -7.748  -8.012
  184   1HD1  ILE  24          1HD1      ILE  24   4.328  -9.735  -6.620
  185   2HD1  ILE  24          2HD1      ILE  24   4.280  -9.063  -4.991
  186   3HD1  ILE  24          3HD1      ILE  24   5.399  -8.404  -6.186
  187    H    ALA  25           H        ALA  25   3.465  -4.072  -8.761
  188    HA   ALA  25           HA       ALA  25   3.141  -4.140 -11.640
  189   1HB   ALA  25          1HB       ALA  25   2.799  -2.060 -10.373
  190   2HB   ALA  25          2HB       ALA  25   4.069  -1.895 -11.586
  191   3HB   ALA  25          3HB       ALA  25   4.495  -2.091  -9.885
  192    H    ARG  26           H        ARG  26   4.856  -4.197 -13.130
  193    HA   ARG  26           HA       ARG  26   6.842  -6.071 -12.427
  194   1HB   ARG  26          2HB       ARG  26   6.463  -4.420 -14.915
  195   2HB   ARG  26          1HB       ARG  26   7.708  -5.652 -14.748
  196   1HG   ARG  26          2HG       ARG  26   5.962  -7.329 -14.323
  197   2HG   ARG  26          1HG       ARG  26   4.735  -6.084 -14.561
  198   1HD   ARG  26          2HD       ARG  26   6.789  -6.819 -16.631
  199   2HD   ARG  26          1HD       ARG  26   5.192  -7.556 -16.545
  200    HE   ARG  26           HE       ARG  26   5.264  -4.657 -16.702
  201   1HH1  ARG  26          1HH1      ARG  26   4.865  -7.718 -18.357
  202   2HH1  ARG  26          2HH1      ARG  26   4.107  -7.008 -19.758
  203   1HH2  ARG  26          1HH2      ARG  26   4.264  -3.716 -18.536
  204   2HH2  ARG  26          2HH2      ARG  26   3.778  -4.731 -19.864
  205    H    GLN  27           H        GLN  27   8.145  -5.419 -10.901
  206    HA   GLN  27           HA       GLN  27  10.543  -4.223 -11.279
  207   1HB   GLN  27          2HB       GLN  27   9.403  -2.102 -11.807
  208   2HB   GLN  27          1HB       GLN  27   8.565  -2.160 -10.263
  209   1HG   GLN  27          2HG       GLN  27  10.436  -0.596 -10.226
  210   2HG   GLN  27          1HG       GLN  27  10.659  -1.911  -9.074
  211   1HE2  GLN  27          1HE2      GLN  27  11.160  -2.194 -12.529
  212   2HE2  GLN  27          2HE2      GLN  27  12.872  -2.425 -12.447
  213    H    GLY  28           H        GLY  28   7.804  -4.800  -9.265
  214   1HA   GLY  28          2HA       GLY  28   8.278  -6.366  -7.402
  215   2HA   GLY  28          1HA       GLY  28   9.622  -5.312  -6.988
  216    H    ASP  29           H        ASP  29   7.035  -3.488  -8.046
  217    HA   ASP  29           HA       ASP  29   6.511  -2.544  -5.363
  218   1HB   ASP  29          2HB       ASP  29   5.235  -1.667  -7.961
  219   2HB   ASP  29          1HB       ASP  29   5.180  -0.814  -6.425
  220    H    GLY  30           H        GLY  30   5.092  -3.551  -4.123
  221   1HA   GLY  30          2HA       GLY  30   3.038  -5.246  -5.143
  222   2HA   GLY  30          1HA       GLY  30   3.239  -4.741  -3.470
  223    H    ILE  31           H        ILE  31   1.073  -4.759  -5.783
  224    HA   ILE  31           HA       ILE  31   0.176  -1.994  -5.526
  225    HB   ILE  31           HB       ILE  31  -0.824  -4.255  -7.263
  226   1HG1  ILE  31          2HG1      ILE  31   0.621  -1.679  -7.943
  227   2HG1  ILE  31          1HG1      ILE  31   1.345  -3.283  -7.929
  228   1HG2  ILE  31          1HG2      ILE  31  -2.254  -2.548  -8.335
  229   2HG2  ILE  31          2HG2      ILE  31  -1.794  -1.406  -7.073
  230   3HG2  ILE  31          3HG2      ILE  31  -2.699  -2.860  -6.658
  231   1HD1  ILE  31          1HD1      ILE  31  -0.856  -2.354  -9.757
  232   2HD1  ILE  31          2HD1      ILE  31  -0.145  -3.967  -9.739
  233   3HD1  ILE  31          3HD1      ILE  31   0.840  -2.574 -10.186
  234    H    ALA  32           H        ALA  32  -0.824  -1.660  -3.673
  235    HA   ALA  32           HA       ALA  32  -2.925  -3.517  -2.811
  236   1HB   ALA  32          1HB       ALA  32  -1.818  -1.094  -1.386
  237   2HB   ALA  32          2HB       ALA  32  -1.314  -2.760  -1.100
  238   3HB   ALA  32          3HB       ALA  32  -2.964  -2.262  -0.728
  239    H    ARG  33           H        ARG  33  -4.610  -3.127  -4.143
  240    HA   ARG  33           HA       ARG  33  -5.349  -0.377  -4.752
  241   1HB   ARG  33          2HB       ARG  33  -7.041  -1.547  -6.279
  242   2HB   ARG  33          1HB       ARG  33  -5.338  -1.677  -6.699
  243   1HG   ARG  33          2HG       ARG  33  -5.248  -3.912  -5.764
  244   2HG   ARG  33          1HG       ARG  33  -6.930  -3.782  -5.247
  245   1HD   ARG  33          2HD       ARG  33  -5.975  -3.641  -8.105
  246   2HD   ARG  33          1HD       ARG  33  -6.659  -5.074  -7.337
  247    HE   ARG  33           HE       ARG  33  -8.505  -3.039  -6.995
  248   1HH1  ARG  33          1HH1      ARG  33  -7.031  -4.765  -9.657
  249   2HH1  ARG  33          2HH1      ARG  33  -8.396  -4.564 -10.714
  250   1HH2  ARG  33          1HH2      ARG  33 -10.297  -2.761  -8.367
  251   2HH2  ARG  33          2HH2      ARG  33 -10.262  -3.419  -9.982
  252    H    ILE  34           H        ILE  34  -6.290   0.390  -2.911
  253    HA   ILE  34           HA       ILE  34  -8.497  -1.094  -1.724
  254    HB   ILE  34           HB       ILE  34  -7.267   1.548  -0.945
  255   1HG1  ILE  34          2HG1      ILE  34  -7.126  -1.220   0.265
  256   2HG1  ILE  34          1HG1      ILE  34  -5.813  -0.361  -0.535
  257   1HG2  ILE  34          1HG2      ILE  34  -8.638   1.428   1.065
  258   2HG2  ILE  34          2HG2      ILE  34  -9.397  -0.051   0.475
  259   3HG2  ILE  34          3HG2      ILE  34  -9.651   1.472  -0.379
  260   1HD1  ILE  34          1HD1      ILE  34  -7.161   0.455   2.024
  261   2HD1  ILE  34          2HD1      ILE  34  -5.836   1.311   1.233
  262   3HD1  ILE  34          3HD1      ILE  34  -5.577  -0.310   1.880
  263    H    GLU  35           H        GLU  35 -10.354  -0.977  -2.642
  264    HA   GLU  35           HA       GLU  35 -12.176  -0.315  -3.825
  265   1HB   GLU  35          2HB       GLU  35 -11.430   2.311  -2.561
  266   2HB   GLU  35          1HB       GLU  35 -12.890   2.089  -3.513
  267   1HG   GLU  35          2HG       GLU  35 -13.498   0.235  -1.914
  268   2HG   GLU  35          1HG       GLU  35 -12.166   0.799  -0.904
  269    H    GLY  36           H        GLY  36  -9.303   0.165  -4.957
  270   1HA   GLY  36          2HA       GLY  36  -9.170   0.363  -7.409
  271   2HA   GLY  36          1HA       GLY  36 -10.243   1.746  -7.267
  272    H    PHE  37           H        PHE  37  -8.658   2.503  -4.749
  273    HA   PHE  37           HA       PHE  37  -6.783   4.214  -6.075
  274   1HB   PHE  37          2HB       PHE  37  -8.008   4.865  -4.001
  275   2HB   PHE  37          1HB       PHE  37  -7.072   3.670  -3.110
  276    HD1  PHE  37           HD1      PHE  37  -6.801   6.775  -5.103
  277    HD2  PHE  37           HD2      PHE  37  -4.936   4.184  -2.290
  278    HE1  PHE  37           HE1      PHE  37  -5.038   8.454  -4.730
  279    HE2  PHE  37           HE2      PHE  37  -3.175   5.855  -1.912
  280    HZ   PHE  37           HZ       PHE  37  -3.219   7.992  -3.131
  281    H    VAL  38           H        VAL  38  -4.690   3.845  -6.500
  282    HA   VAL  38           HA       VAL  38  -3.671   1.197  -5.812
  283    HB   VAL  38           HB       VAL  38  -2.643   3.225  -7.806
  284   1HG1  VAL  38          1HG1      VAL  38  -0.856   1.798  -6.939
  285   2HG1  VAL  38          2HG1      VAL  38  -1.205   1.434  -8.627
  286   3HG1  VAL  38          3HG1      VAL  38  -1.797   0.365  -7.358
  287   1HG2  VAL  38          1HG2      VAL  38  -4.802   2.285  -8.432
  288   2HG2  VAL  38          2HG2      VAL  38  -4.168   0.653  -8.215
  289   3HG2  VAL  38          3HG2      VAL  38  -3.525   1.687  -9.491
  290    H    ILE  39           H        ILE  39  -2.563   1.061  -4.014
  291    HA   ILE  39           HA       ILE  39  -0.625   3.157  -3.321
  292    HB   ILE  39           HB       ILE  39  -1.530   0.783  -1.673
  293   1HG1  ILE  39          2HG1      ILE  39  -2.338   3.676  -1.347
  294   2HG1  ILE  39          1HG1      ILE  39  -3.319   2.489  -2.197
  295   1HG2  ILE  39          1HG2      ILE  39   0.692   1.619  -1.073
  296   2HG2  ILE  39          2HG2      ILE  39  -0.484   1.955   0.198
  297   3HG2  ILE  39          3HG2      ILE  39   0.031   3.246  -0.887
  298   1HD1  ILE  39          1HD1      ILE  39  -2.503   2.340   0.694
  299   2HD1  ILE  39          2HD1      ILE  39  -3.517   1.176  -0.163
  300   3HD1  ILE  39          3HD1      ILE  39  -4.084   2.828   0.084
  301    H    PHE  40           H        PHE  40   1.493   2.805  -3.673
  302    HA   PHE  40           HA       PHE  40   2.303   0.164  -4.638
  303   1HB   PHE  40          2HB       PHE  40   3.642   2.867  -4.779
  304   2HB   PHE  40          1HB       PHE  40   4.425   1.376  -5.290
  305    HD1  PHE  40           HD1      PHE  40   3.378   0.039  -7.141
  306    HD2  PHE  40           HD2      PHE  40   2.176   4.012  -6.197
  307    HE1  PHE  40           HE1      PHE  40   2.361   0.258  -9.371
  308    HE2  PHE  40           HE2      PHE  40   1.155   4.237  -8.422
  309    HZ   PHE  40           HZ       PHE  40   1.247   2.359 -10.013
  310    H    VAL  41           H        VAL  41   3.259  -1.208  -3.342
  311    HA   VAL  41           HA       VAL  41   4.915  -0.158  -1.134
  312    HB   VAL  41           HB       VAL  41   3.502  -2.833  -1.144
  313   1HG1  VAL  41          1HG1      VAL  41   5.493  -2.745   0.243
  314   2HG1  VAL  41          2HG1      VAL  41   4.047  -2.824   1.248
  315   3HG1  VAL  41          3HG1      VAL  41   4.893  -1.291   1.042
  316   1HG2  VAL  41          1HG2      VAL  41   1.831  -1.066  -1.104
  317   2HG2  VAL  41          2HG2      VAL  41   2.676  -0.274   0.224
  318   3HG2  VAL  41          3HG2      VAL  41   1.930  -1.852   0.472
  319    HA   PRO  42           HA       PRO  42   7.678  -2.212  -4.136
  320   1HB   PRO  42          2HB       PRO  42   9.729  -0.612  -2.767
  321   2HB   PRO  42          1HB       PRO  42   9.280  -0.640  -4.474
  322   1HG   PRO  42          2HG       PRO  42   8.696   1.452  -2.891
  323   2HG   PRO  42          1HG       PRO  42   7.619   0.937  -4.202
  324   1HD   PRO  42          2HD       PRO  42   7.401   0.430  -1.258
  325   2HD   PRO  42          1HD       PRO  42   6.130   0.858  -2.424
  326    H    GLY  43           H        GLY  43   8.480  -4.165  -3.774
  327   1HA   GLY  43          2HA       GLY  43  10.119  -5.604  -2.846
  328   2HA   GLY  43          1HA       GLY  43  10.162  -4.596  -1.410
  329    H    THR  44           H        THR  44   7.373  -6.040  -3.051
  330    HA   THR  44           HA       THR  44   6.935  -7.707  -0.668
  331    HB   THR  44           HB       THR  44   4.436  -7.358  -1.207
  332    HG1  THR  44           HG1      THR  44   5.110  -4.815  -2.118
  333   1HG2  THR  44          1HG2      THR  44   5.499  -6.522   0.825
  334   2HG2  THR  44          2HG2      THR  44   4.347  -5.344   0.198
  335   3HG2  THR  44          3HG2      THR  44   6.076  -5.102  -0.048
  336    H    LYS  45           H        LYS  45   4.738  -9.114  -1.450
  337    HA   LYS  45           HA       LYS  45   5.426 -10.383  -3.995
  338   1HB   LYS  45          2HB       LYS  45   6.689 -11.584  -2.267
  339   2HB   LYS  45          1HB       LYS  45   5.212 -11.832  -1.349
  340   1HG   LYS  45          2HG       LYS  45   4.325 -13.136  -3.288
  341   2HG   LYS  45          1HG       LYS  45   5.925 -13.013  -4.020
  342   1HD   LYS  45          2HD       LYS  45   5.673 -15.127  -2.862
  343   2HD   LYS  45          1HD       LYS  45   6.890 -14.128  -2.062
  344   1HE   LYS  45          2HE       LYS  45   5.126 -13.399  -0.457
  345   2HE   LYS  45          1HE       LYS  45   4.033 -14.563  -1.203
  346   1HZ   LYS  45          1HZ       LYS  45   5.068 -15.432   0.804
  347   2HZ   LYS  45          2HZ       LYS  45   6.605 -15.225   0.127
  348   3HZ   LYS  45          3HZ       LYS  45   5.521 -16.341  -0.558
  349    H    VAL  46           H        VAL  46   3.708 -11.656  -4.882
  350    HA   VAL  46           HA       VAL  46   1.114 -10.658  -4.410
  351    HB   VAL  46           HB       VAL  46   1.814 -13.260  -5.787
  352   1HG1  VAL  46          1HG1      VAL  46  -0.266 -12.870  -7.033
  353   2HG1  VAL  46          2HG1      VAL  46  -0.580 -11.442  -6.045
  354   3HG1  VAL  46          3HG1      VAL  46  -0.551 -13.040  -5.301
  355   1HG2  VAL  46          1HG2      VAL  46   3.116 -11.442  -6.733
  356   2HG2  VAL  46          2HG2      VAL  46   1.654 -10.470  -6.930
  357   3HG2  VAL  46          3HG2      VAL  46   1.862 -11.953  -7.864
  358    H    GLY  47           H        GLY  47  -0.198 -11.063  -2.779
  359   1HA   GLY  47          2HA       GLY  47  -1.551 -12.481  -1.463
  360   2HA   GLY  47          1HA       GLY  47  -0.413 -13.793  -1.741
  361    H    ASP  48           H        ASP  48   1.370 -11.114  -1.002
  362    HA   ASP  48           HA       ASP  48   2.031 -12.163   1.589
  363   1HB   ASP  48          2HB       ASP  48   3.672 -11.143  -0.039
  364   2HB   ASP  48          1HB       ASP  48   2.988  -9.573   0.362
  365    H    GLU  49           H        GLU  49   1.031 -11.697   3.412
  366    HA   GLU  49           HA       GLU  49  -0.688  -9.332   3.562
  367   1HB   GLU  49          2HB       GLU  49  -1.524 -10.522   5.673
  368   2HB   GLU  49          1HB       GLU  49  -1.905 -11.271   4.128
  369   1HG   GLU  49          2HG       GLU  49  -0.116 -12.870   4.417
  370   2HG   GLU  49          1HG       GLU  49   0.390 -12.074   5.903
  371    H    VAL  50           H        VAL  50   0.274  -7.570   4.387
  372    HA   VAL  50           HA       VAL  50   2.004  -7.873   6.733
  373    HB   VAL  50           HB       VAL  50   3.639  -6.241   5.735
  374   1HG1  VAL  50          1HG1      VAL  50   4.171  -8.605   5.901
  375   2HG1  VAL  50          2HG1      VAL  50   4.828  -7.927   4.410
  376   3HG1  VAL  50          3HG1      VAL  50   3.365  -8.909   4.362
  377   1HG2  VAL  50          1HG2      VAL  50   3.717  -6.029   3.299
  378   2HG2  VAL  50          2HG2      VAL  50   2.211  -5.376   3.946
  379   3HG2  VAL  50          3HG2      VAL  50   2.224  -6.959   3.166
  380    H    ARG  51           H        ARG  51   2.394  -5.921   7.905
  381    HA   ARG  51           HA       ARG  51   0.300  -3.934   7.644
  382   1HB   ARG  51          2HB       ARG  51   2.589  -4.206   9.601
  383   2HB   ARG  51          1HB       ARG  51   1.411  -2.902   9.640
  384   1HG   ARG  51          2HG       ARG  51  -0.377  -4.511  10.002
  385   2HG   ARG  51          1HG       ARG  51   0.795  -5.826   9.943
  386   1HD   ARG  51          2HD       ARG  51   0.728  -3.584  11.959
  387   2HD   ARG  51          1HD       ARG  51   0.229  -5.250  12.245
  388    HE   ARG  51           HE       ARG  51   2.870  -5.311  11.337
  389   1HH1  ARG  51          1HH1      ARG  51   1.062  -4.164  14.128
  390   2HH1  ARG  51          2HH1      ARG  51   2.415  -4.314  15.213
  391   1HH2  ARG  51          1HH2      ARG  51   4.624  -5.531  12.766
  392   2HH2  ARG  51          2HH2      ARG  51   4.423  -5.123  14.450
  393    H    ILE  52           H        ILE  52   0.547  -2.450   6.143
  394    HA   ILE  52           HA       ILE  52   3.258  -1.563   5.482
  395    HB   ILE  52           HB       ILE  52   2.292  -0.458   3.525
  396   1HG1  ILE  52          2HG1      ILE  52  -0.331  -1.761   4.277
  397   2HG1  ILE  52          1HG1      ILE  52   0.026  -0.062   4.564
  398   1HG2  ILE  52          1HG2      ILE  52   3.097  -2.764   3.387
  399   2HG2  ILE  52          2HG2      ILE  52   1.774  -2.463   2.260
  400   3HG2  ILE  52          3HG2      ILE  52   1.475  -3.349   3.756
  401   1HD1  ILE  52          1HD1      ILE  52   0.313   0.286   2.170
  402   2HD1  ILE  52          2HD1      ILE  52  -1.285  -0.357   2.549
  403   3HD1  ILE  52          3HD1      ILE  52  -0.045  -1.419   1.884
  404    H    LYS  53           H        LYS  53   4.009   0.347   6.004
  405    HA   LYS  53           HA       LYS  53   2.259   2.257   7.347
  406   1HB   LYS  53          2HB       LYS  53   4.454   1.691   8.353
  407   2HB   LYS  53          1HB       LYS  53   5.256   2.275   6.905
  408   1HG   LYS  53          2HG       LYS  53   5.460   3.971   8.527
  409   2HG   LYS  53          1HG       LYS  53   4.246   4.526   7.373
  410   1HD   LYS  53          2HD       LYS  53   2.469   4.022   8.872
  411   2HD   LYS  53          1HD       LYS  53   3.550   3.148   9.962
  412   1HE   LYS  53          2HE       LYS  53   4.771   5.306  10.320
  413   2HE   LYS  53          1HE       LYS  53   3.494   6.107   9.407
  414   1HZ   LYS  53          1HZ       LYS  53   3.083   4.537  11.898
  415   2HZ   LYS  53          2HZ       LYS  53   1.890   5.380  11.042
  416   3HZ   LYS  53          3HZ       LYS  53   3.137   6.230  11.809
  417    H    VAL  54           H        VAL  54   1.125   3.407   5.878
  418    HA   VAL  54           HA       VAL  54   2.141   4.147   3.321
  419    HB   VAL  54           HB       VAL  54  -0.194   5.317   4.864
  420   1HG1  VAL  54          1HG1      VAL  54  -0.961   6.141   2.684
  421   2HG1  VAL  54          2HG1      VAL  54   0.526   5.549   1.941
  422   3HG1  VAL  54          3HG1      VAL  54   0.594   6.843   3.137
  423   1HG2  VAL  54          1HG2      VAL  54  -0.092   3.186   2.734
  424   2HG2  VAL  54          2HG2      VAL  54  -1.565   3.889   3.405
  425   3HG2  VAL  54          3HG2      VAL  54  -0.487   2.949   4.437
  426    H    GLU  55           H        GLU  55   3.979   5.250   3.406
  427    HA   GLU  55           HA       GLU  55   4.671   7.096   5.415
  428   1HB   GLU  55          2HB       GLU  55   5.843   6.762   2.646
  429   2HB   GLU  55          1HB       GLU  55   6.601   7.603   3.985
  430   1HG   GLU  55          2HG       GLU  55   6.614   5.459   5.247
  431   2HG   GLU  55          1HG       GLU  55   6.013   4.662   3.793
  432    H    ARG  56           H        ARG  56   3.556   7.503   2.073
  433    HA   ARG  56           HA       ARG  56   2.558  10.147   2.708
  434   1HB   ARG  56          2HB       ARG  56   4.695   9.738   0.611
  435   2HB   ARG  56          1HB       ARG  56   3.714  11.189   0.749
  436   1HG   ARG  56          2HG       ARG  56   4.614  11.430   3.090
  437   2HG   ARG  56          1HG       ARG  56   5.754  10.144   2.687
  438   1HD   ARG  56          2HD       ARG  56   6.783  12.310   2.352
  439   2HD   ARG  56          1HD       ARG  56   6.578  11.487   0.805
  440    HE   ARG  56           HE       ARG  56   4.403  13.257   1.484
  441   1HH1  ARG  56          1HH1      ARG  56   7.577  13.013  -0.007
  442   2HH1  ARG  56          2HH1      ARG  56   7.368  14.446  -0.969
  443   1HH2  ARG  56          1HH2      ARG  56   4.129  15.137   0.219
  444   2HH2  ARG  56          2HH2      ARG  56   5.412  15.651  -0.841
  445    H    VAL  57           H        VAL  57   1.295  11.059   0.905
  446    HA   VAL  57           HA       VAL  57   0.361   9.006  -0.976
  447    HB   VAL  57           HB       VAL  57  -1.956   9.852  -0.741
  448   1HG1  VAL  57          1HG1      VAL  57  -1.288   7.857   0.471
  449   2HG1  VAL  57          2HG1      VAL  57  -2.447   8.794   1.414
  450   3HG1  VAL  57          3HG1      VAL  57  -0.732   8.845   1.823
  451   1HG2  VAL  57          1HG2      VAL  57  -1.470  12.088   0.111
  452   2HG2  VAL  57          2HG2      VAL  57  -0.867  11.393   1.616
  453   3HG2  VAL  57          3HG2      VAL  57  -2.570  11.229   1.189
  454    H    LEU  58           H        LEU  58   0.117   9.660  -3.016
  455    HA   LEU  58           HA       LEU  58   0.345  12.539  -3.587
  456   1HB   LEU  58          2HB       LEU  58   1.159  10.126  -5.220
  457   2HB   LEU  58          1HB       LEU  58   1.035  11.731  -5.907
  458    HG   LEU  58           HG       LEU  58   3.329  11.356  -5.463
  459   1HD1  LEU  58          1HD1      LEU  58   3.866  13.079  -3.801
  460   2HD1  LEU  58          2HD1      LEU  58   2.183  13.068  -3.268
  461   3HD1  LEU  58          3HD1      LEU  58   2.587  13.582  -4.907
  462   1HD2  LEU  58          1HD2      LEU  58   4.196  10.734  -3.251
  463   2HD2  LEU  58          2HD2      LEU  58   3.159   9.483  -3.934
  464   3HD2  LEU  58          3HD2      LEU  58   2.543  10.543  -2.666
  465    HA   PRO  59           HA       PRO  59  -3.708  12.763  -5.158
  466   1HB   PRO  59          2HB       PRO  59  -2.662  13.763  -7.749
  467   2HB   PRO  59          1HB       PRO  59  -3.818  14.502  -6.635
  468   1HG   PRO  59          2HG       PRO  59  -1.327  15.415  -6.803
  469   2HG   PRO  59          1HG       PRO  59  -2.159  15.314  -5.240
  470   1HD   PRO  59          2HD       PRO  59  -0.060  13.528  -6.392
  471   2HD   PRO  59          1HD       PRO  59  -0.277  14.083  -4.720
  472    H    LYS  60           H        LYS  60  -1.411  10.925  -6.961
  473    HA   LYS  60           HA       LYS  60  -3.608   9.686  -8.480
  474   1HB   LYS  60          2HB       LYS  60  -0.703   9.942  -9.268
  475   2HB   LYS  60          1HB       LYS  60  -1.927   9.082 -10.190
  476   1HG   LYS  60          2HG       LYS  60  -1.910  12.036  -9.594
  477   2HG   LYS  60          1HG       LYS  60  -1.499  11.278 -11.133
  478   1HD   LYS  60          2HD       LYS  60  -3.798  10.342 -11.227
  479   2HD   LYS  60          1HD       LYS  60  -4.184  11.237  -9.757
  480   1HE   LYS  60          2HE       LYS  60  -3.271  12.467 -12.358
  481   2HE   LYS  60          1HE       LYS  60  -4.941  12.389 -11.800
  482   1HZ   LYS  60          1HZ       LYS  60  -3.859  14.543 -11.361
  483   2HZ   LYS  60          2HZ       LYS  60  -2.750  13.770 -10.339
  484   3HZ   LYS  60          3HZ       LYS  60  -4.401  13.783  -9.944
  485    H    PHE  61           H        PHE  61  -1.180   9.125  -6.141
  486    HA   PHE  61           HA       PHE  61  -1.805   6.381  -5.845
  487   1HB   PHE  61          2HB       PHE  61   0.417   5.434  -6.470
  488   2HB   PHE  61          1HB       PHE  61  -0.490   6.041  -7.848
  489    HD1  PHE  61           HD1      PHE  61   2.442   6.531  -5.723
  490    HD2  PHE  61           HD2      PHE  61   0.255   7.990  -9.068
  491    HE1  PHE  61           HE1      PHE  61   4.374   7.895  -6.388
  492    HE2  PHE  61           HE2      PHE  61   2.185   9.363  -9.737
  493    HZ   PHE  61           HZ       PHE  61   4.248   9.315  -8.396
  494    H    ALA  62           H        ALA  62  -0.449   5.340  -4.148
  495    HA   ALA  62           HA       ALA  62   0.721   7.396  -2.379
  496   1HB   ALA  62          1HB       ALA  62  -1.467   6.602  -1.568
  497   2HB   ALA  62          2HB       ALA  62  -0.155   6.183  -0.466
  498   3HB   ALA  62          3HB       ALA  62  -0.838   4.956  -1.532
  499    H    PHE  63           H        PHE  63   2.376   6.688  -0.929
  500    HA   PHE  63           HA       PHE  63   3.810   4.277  -1.847
  501   1HB   PHE  63          2HB       PHE  63   4.841   6.909  -0.795
  502   2HB   PHE  63          1HB       PHE  63   5.835   5.458  -0.782
  503    HD1  PHE  63           HD1      PHE  63   5.957   4.211  -3.107
  504    HD2  PHE  63           HD2      PHE  63   5.000   8.324  -2.586
  505    HE1  PHE  63           HE1      PHE  63   6.680   4.668  -5.416
  506    HE2  PHE  63           HE2      PHE  63   5.716   8.789  -4.890
  507    HZ   PHE  63           HZ       PHE  63   6.559   6.961  -6.309
  508    H    ALA  64           H        ALA  64   4.268   2.736  -0.384
  509    HA   ALA  64           HA       ALA  64   4.204   3.391   2.460
  510   1HB   ALA  64          1HB       ALA  64   2.509   1.199   1.261
  511   2HB   ALA  64          2HB       ALA  64   1.908   2.718   1.919
  512   3HB   ALA  64          3HB       ALA  64   2.690   1.547   2.980
  513    H    SER  65           H        SER  65   5.227   1.789   3.779
  514    HA   SER  65           HA       SER  65   6.804  -0.198   2.291
  515   1HB   SER  65          2HB       SER  65   8.195   1.791   2.916
  516   2HB   SER  65          1HB       SER  65   7.843   1.454   4.610
  517    HG   SER  65           HG       SER  65   9.431   0.088   4.548
  518    H    VAL  66           H        VAL  66   7.534  -2.001   3.616
  519    HA   VAL  66           HA       VAL  66   5.381  -2.862   5.354
  520    HB   VAL  66           HB       VAL  66   7.829  -4.348   4.375
  521   1HG1  VAL  66          1HG1      VAL  66   6.598  -6.375   5.076
  522   2HG1  VAL  66          2HG1      VAL  66   5.384  -5.342   5.832
  523   3HG1  VAL  66          3HG1      VAL  66   7.044  -5.335   6.429
  524   1HG2  VAL  66          1HG2      VAL  66   4.966  -4.405   3.431
  525   2HG2  VAL  66          2HG2      VAL  66   6.251  -5.471   2.861
  526   3HG2  VAL  66          3HG2      VAL  66   6.344  -3.736   2.557
  527    H    VAL  67           H        VAL  67   5.437  -2.576   7.491
  528    HA   VAL  67           HA       VAL  67   8.061  -2.298   8.784
  529    HB   VAL  67           HB       VAL  67   6.841  -1.301  10.693
  530   1HG1  VAL  67          1HG1      VAL  67   6.348   0.008   8.021
  531   2HG1  VAL  67          2HG1      VAL  67   7.806   0.144   9.005
  532   3HG1  VAL  67          3HG1      VAL  67   6.285   0.823   9.583
  533   1HG2  VAL  67          1HG2      VAL  67   4.680  -2.395  10.371
  534   2HG2  VAL  67          2HG2      VAL  67   4.433  -1.488   8.879
  535   3HG2  VAL  67          3HG2      VAL  67   4.500  -0.642  10.424
  536    H    GLU  68           H        GLU  68   6.406  -4.702   8.011
  537    HA   GLU  68           HA       GLU  68   5.952  -6.796   8.731
  538   1HB   GLU  68          2HB       GLU  68   8.059  -6.142  10.799
  539   2HB   GLU  68          1HB       GLU  68   7.507  -7.755  10.367
  540   1HG   GLU  68          2HG       GLU  68   8.327  -7.371   8.065
  541   2HG   GLU  68          1HG       GLU  68   8.978  -5.820   8.594
  Start of MODEL    2
    1   1H    MET   1          1HT       MET   1  -7.692  26.864  -2.673
    2   2H    MET   1          2HT       MET   1  -9.027  26.027  -2.047
    3   3H    MET   1          3HT       MET   1  -7.930  25.233  -3.063
    4    HA   MET   1           HA       MET   1  -6.185  25.453  -1.458
    5   1HB   MET   1          2HB       MET   1  -8.327  26.803   0.189
    6   2HB   MET   1          1HB       MET   1  -6.827  26.193   0.869
    7   1HG   MET   1          2HG       MET   1  -6.592  28.535   0.519
    8   2HG   MET   1          1HG       MET   1  -5.585  27.700  -0.665
    9   1HE   MET   1          1HE       MET   1  -6.674  30.823  -2.711
   10   2HE   MET   1          2HE       MET   1  -5.328  29.856  -2.105
   11   3HE   MET   1          3HE       MET   1  -6.318  30.789  -0.983
   12    H    PHE   2           H        PHE   2  -9.347  24.995   0.136
   13    HA   PHE   2           HA       PHE   2  -8.614  22.164   0.493
   14   1HB   PHE   2          2HB       PHE   2 -10.344  23.962   2.203
   15   2HB   PHE   2          1HB       PHE   2 -10.167  22.226   2.457
   16    HD1  PHE   2           HD1      PHE   2  -8.594  25.493   2.800
   17    HD2  PHE   2           HD2      PHE   2  -8.045  21.293   3.227
   18    HE1  PHE   2           HE1      PHE   2  -6.579  25.896   4.156
   19    HE2  PHE   2           HE2      PHE   2  -6.034  21.691   4.586
   20    HZ   PHE   2           HZ       PHE   2  -5.298  23.992   5.050
   21    H    ARG   3           H        ARG   3 -10.955  21.040   1.157
   22    HA   ARG   3           HA       ARG   3 -12.826  20.096   0.286
   23   1HB   ARG   3          2HB       ARG   3 -13.147  22.862  -0.880
   24   2HB   ARG   3          1HB       ARG   3 -14.323  21.585  -1.144
   25   1HG   ARG   3          2HG       ARG   3 -14.681  21.430   1.277
   26   2HG   ARG   3          1HG       ARG   3 -13.527  22.743   1.520
   27   1HD   ARG   3          2HD       ARG   3 -15.893  23.494   1.556
   28   2HD   ARG   3          1HD       ARG   3 -14.931  24.273   0.300
   29    HE   ARG   3           HE       ARG   3 -16.076  22.113  -0.931
   30   1HH1  ARG   3          1HH1      ARG   3 -17.315  24.865   0.837
   31   2HH1  ARG   3          2HH1      ARG   3 -18.791  24.953  -0.082
   32   1HH2  ARG   3          1HH2      ARG   3 -17.981  22.235  -2.159
   33   2HH2  ARG   3          2HH2      ARG   3 -19.160  23.470  -1.802
   34    H    GLU   4           H        GLU   4 -10.431  19.529  -0.939
   35    HA   GLU   4           HA       GLU   4 -10.405  19.882  -3.725
   36   1HB   GLU   4          2HB       GLU   4  -8.951  17.757  -3.692
   37   2HB   GLU   4          1HB       GLU   4  -8.360  19.181  -2.854
   38   1HG   GLU   4          2HG       GLU   4  -9.881  17.091  -1.361
   39   2HG   GLU   4          1HG       GLU   4  -8.175  16.855  -1.738
   40    H    GLU   5           H        GLU   5 -11.254  18.802  -5.378
   41    HA   GLU   5           HA       GLU   5 -13.772  17.682  -5.037
   42   1HB   GLU   5          2HB       GLU   5 -12.754  18.819  -7.075
   43   2HB   GLU   5          1HB       GLU   5 -12.025  17.265  -7.451
   44   1HG   GLU   5          2HG       GLU   5 -14.120  16.254  -7.813
   45   2HG   GLU   5          1HG       GLU   5 -14.981  17.606  -7.073
   46    H    SER   6           H        SER   6 -14.348  15.806  -4.295
   47    HA   SER   6           HA       SER   6 -14.459  13.653  -3.687
   48   1HB   SER   6          2HB       SER   6 -13.796  11.945  -5.328
   49   2HB   SER   6          1HB       SER   6 -14.675  13.271  -6.085
   50    HG   SER   6           HG       SER   6 -12.227  14.005  -6.297
   51    H    ARG   7           H        ARG   7 -11.893  15.296  -3.120
   52    HA   ARG   7           HA       ARG   7 -10.063  15.080  -1.820
   53   1HB   ARG   7          2HB       ARG   7 -11.140  12.313  -1.311
   54   2HB   ARG   7          1HB       ARG   7  -9.738  12.984  -0.494
   55   1HG   ARG   7          2HG       ARG   7 -11.242  14.857   0.285
   56   2HG   ARG   7          1HG       ARG   7 -12.595  13.887  -0.306
   57   1HD   ARG   7          2HD       ARG   7 -11.873  12.037   1.146
   58   2HD   ARG   7          1HD       ARG   7 -10.559  13.042   1.753
   59    HE   ARG   7           HE       ARG   7 -13.429  13.490   2.244
   60   1HH1  ARG   7          1HH1      ARG   7 -10.072  14.086   3.045
   61   2HH1  ARG   7          2HH1      ARG   7 -10.426  14.848   4.564
   62   1HH2  ARG   7          1HH2      ARG   7 -13.903  14.486   4.256
   63   2HH2  ARG   7          2HH2      ARG   7 -12.605  15.089   5.250
   64    H    SER   8           H        SER   8 -10.453  12.021  -3.568
   65    HA   SER   8           HA       SER   8  -9.090  10.800  -4.880
   66   1HB   SER   8          2HB       SER   8  -7.338  13.266  -4.986
   67   2HB   SER   8          1HB       SER   8  -7.205  11.860  -6.046
   68    HG   SER   8           HG       SER   8  -9.454  12.329  -6.636
   69    H    VAL   9           H        VAL   9  -8.679  11.359  -1.920
   70    HA   VAL   9           HA       VAL   9  -6.448   9.536  -1.615
   71    HB   VAL   9           HB       VAL   9  -5.561  10.956   0.339
   72   1HG1  VAL   9          1HG1      VAL   9  -5.142  11.958  -2.477
   73   2HG1  VAL   9          2HG1      VAL   9  -4.315  10.589  -1.733
   74   3HG1  VAL   9          3HG1      VAL   9  -4.060  12.218  -1.109
   75   1HG2  VAL   9          1HG2      VAL   9  -5.858  13.364   0.154
   76   2HG2  VAL   9          2HG2      VAL   9  -7.410  12.568   0.408
   77   3HG2  VAL   9          3HG2      VAL   9  -6.964  13.143  -1.198
   78    HA   PRO  10           HA       PRO  10  -9.737   8.428   1.290
   79   1HB   PRO  10          2HB       PRO  10  -9.479   5.772   1.068
   80   2HB   PRO  10          1HB       PRO  10 -10.286   6.736  -0.174
   81   1HG   PRO  10          2HG       PRO  10  -7.542   5.567  -0.164
   82   2HG   PRO  10          1HG       PRO  10  -8.692   5.729  -1.503
   83   1HD   PRO  10          2HD       PRO  10  -6.541   7.425  -1.014
   84   2HD   PRO  10          1HD       PRO  10  -7.949   7.816  -2.020
   85    H    VAL  11           H        VAL  11  -6.362   7.852   1.312
   86    HA   VAL  11           HA       VAL  11  -6.482   6.874   4.087
   87    HB   VAL  11           HB       VAL  11  -4.160   6.018   3.726
   88   1HG1  VAL  11          1HG1      VAL  11  -4.846   4.038   2.441
   89   2HG1  VAL  11          2HG1      VAL  11  -6.288   4.898   1.901
   90   3HG1  VAL  11          3HG1      VAL  11  -6.076   4.518   3.610
   91   1HG2  VAL  11          1HG2      VAL  11  -4.751   6.645   0.837
   92   2HG2  VAL  11          2HG2      VAL  11  -3.369   5.725   1.426
   93   3HG2  VAL  11          3HG2      VAL  11  -3.535   7.429   1.843
   94    H    GLU  12           H        GLU  12  -5.000   7.727   5.591
   95    HA   GLU  12           HA       GLU  12  -4.304  10.502   5.049
   96   1HB   GLU  12          2HB       GLU  12  -4.220   8.942   7.639
   97   2HB   GLU  12          1HB       GLU  12  -3.955  10.671   7.472
   98   1HG   GLU  12          2HG       GLU  12  -6.515   9.208   6.884
   99   2HG   GLU  12          1HG       GLU  12  -6.179  10.202   8.301
  100    H    GLU  13           H        GLU  13  -2.218  11.344   5.362
  101    HA   GLU  13           HA       GLU  13  -0.073   9.590   4.734
  102   1HB   GLU  13          2HB       GLU  13   0.018  12.456   5.685
  103   2HB   GLU  13          1HB       GLU  13   1.361  11.569   4.971
  104   1HG   GLU  13          2HG       GLU  13  -0.075  11.246   2.935
  105   2HG   GLU  13          1HG       GLU  13  -1.211  12.385   3.654
  106    H    GLY  14           H        GLY  14   0.701   8.170   6.089
  107   1HA   GLY  14          2HA       GLY  14   2.107   7.696   7.965
  108   2HA   GLY  14          1HA       GLY  14   1.311   8.978   8.858
  109    H    GLU  15           H        GLU  15  -0.494   6.698   6.924
  110    HA   GLU  15           HA       GLU  15  -1.788   5.680   9.332
  111   1HB   GLU  15          2HB       GLU  15  -2.301   5.199   6.405
  112   2HB   GLU  15          1HB       GLU  15  -3.150   4.337   7.668
  113   1HG   GLU  15          2HG       GLU  15  -3.149   7.327   7.503
  114   2HG   GLU  15          1HG       GLU  15  -4.324   6.327   6.648
  115    H    VAL  16           H        VAL  16  -2.076   3.371   9.612
  116    HA   VAL  16           HA       VAL  16   0.044   1.708   8.461
  117    HB   VAL  16           HB       VAL  16  -0.504   1.796  11.438
  118   1HG1  VAL  16          1HG1      VAL  16   0.121  -0.407  10.628
  119   2HG1  VAL  16          2HG1      VAL  16   1.415   0.288  11.603
  120   3HG1  VAL  16          3HG1      VAL  16   1.549   0.267   9.846
  121   1HG2  VAL  16          1HG2      VAL  16   1.892   2.824   9.914
  122   2HG2  VAL  16          2HG2      VAL  16   1.766   2.715  11.669
  123   3HG2  VAL  16          3HG2      VAL  16   0.704   3.801  10.776
  124    H    TYR  17           H        TYR  17  -0.989   0.033   7.572
  125    HA   TYR  17           HA       TYR  17  -2.887  -1.440   9.184
  126   1HB   TYR  17          2HB       TYR  17  -4.598  -1.487   7.351
  127   2HB   TYR  17          1HB       TYR  17  -4.449   0.057   8.164
  128    HD1  TYR  17           HD1      TYR  17  -4.062  -1.746   5.053
  129    HD2  TYR  17           HD2      TYR  17  -3.467   2.011   6.966
  130    HE1  TYR  17           HE1      TYR  17  -3.862  -0.659   2.864
  131    HE2  TYR  17           HE2      TYR  17  -3.269   3.094   4.789
  132    HH   TYR  17           HH       TYR  17  -4.145   1.550   1.897
  133    H    ASP  18           H        ASP  18  -3.011  -3.593   8.645
  134    HA   ASP  18           HA       ASP  18  -0.921  -4.520   6.871
  135   1HB   ASP  18          2HB       ASP  18  -1.270  -6.701   7.778
  136   2HB   ASP  18          1HB       ASP  18  -1.338  -5.566   9.118
  137    H    VAL  19           H        VAL  19  -1.143  -5.561   5.000
  138    HA   VAL  19           HA       VAL  19  -3.846  -5.875   3.886
  139    HB   VAL  19           HB       VAL  19  -2.991  -4.970   1.727
  140   1HG1  VAL  19          1HG1      VAL  19  -3.103  -2.600   2.367
  141   2HG1  VAL  19          2HG1      VAL  19  -2.951  -3.067   4.061
  142   3HG1  VAL  19          3HG1      VAL  19  -4.363  -3.569   3.129
  143   1HG2  VAL  19          1HG2      VAL  19  -0.962  -3.562   1.772
  144   2HG2  VAL  19          2HG2      VAL  19  -0.619  -5.269   2.064
  145   3HG2  VAL  19          3HG2      VAL  19  -0.632  -4.131   3.411
  146    H    THR  20           H        THR  20  -3.957  -7.305   2.081
  147    HA   THR  20           HA       THR  20  -1.665  -9.124   1.820
  148    HB   THR  20           HB       THR  20  -4.498  -9.473   0.800
  149    HG1  THR  20           HG1      THR  20  -3.704  -9.599   3.263
  150   1HG2  THR  20          1HG2      THR  20  -2.821 -10.732  -0.476
  151   2HG2  THR  20          2HG2      THR  20  -3.845 -11.811   0.472
  152   3HG2  THR  20          3HG2      THR  20  -2.211 -11.438   1.021
  153    H    ILE  21           H        ILE  21  -0.414  -8.962   0.050
  154    HA   ILE  21           HA       ILE  21  -0.881  -6.927  -1.869
  155    HB   ILE  21           HB       ILE  21   1.077  -9.230  -2.005
  156   1HG1  ILE  21          2HG1      ILE  21   1.433  -7.836  -0.027
  157   2HG1  ILE  21          1HG1      ILE  21   2.723  -7.581  -1.194
  158   1HG2  ILE  21          1HG2      ILE  21   0.681  -8.250  -4.197
  159   2HG2  ILE  21          2HG2      ILE  21   2.293  -7.842  -3.614
  160   3HG2  ILE  21          3HG2      ILE  21   1.003  -6.643  -3.550
  161   1HD1  ILE  21          1HD1      ILE  21   2.003  -5.494  -0.169
  162   2HD1  ILE  21          2HD1      ILE  21   0.366  -5.760  -0.764
  163   3HD1  ILE  21          3HD1      ILE  21   1.687  -5.497  -1.903
  164    H    GLN  22           H        GLN  22  -2.232  -6.976  -3.481
  165    HA   GLN  22           HA       GLN  22  -3.478  -9.523  -4.173
  166   1HB   GLN  22          2HB       GLN  22  -4.592  -7.181  -3.473
  167   2HB   GLN  22          1HB       GLN  22  -4.526  -6.944  -5.210
  168   1HG   GLN  22          2HG       GLN  22  -6.661  -7.811  -4.695
  169   2HG   GLN  22          1HG       GLN  22  -5.748  -9.099  -5.478
  170   1HE2  GLN  22          1HE2      GLN  22  -5.192  -8.181  -2.145
  171   2HE2  GLN  22          2HE2      GLN  22  -5.855  -9.611  -1.446
  172    H    ASP  23           H        ASP  23  -1.647  -6.891  -5.595
  173    HA   ASP  23           HA       ASP  23  -1.483  -8.395  -8.107
  174   1HB   ASP  23          2HB       ASP  23  -3.294  -6.781  -8.412
  175   2HB   ASP  23          1HB       ASP  23  -2.244  -5.475  -7.888
  176    H    ILE  24           H        ILE  24   0.253  -7.461  -9.550
  177    HA   ILE  24           HA       ILE  24   2.400  -6.155  -8.032
  178    HB   ILE  24           HB       ILE  24   2.764  -8.476  -9.947
  179   1HG1  ILE  24          2HG1      ILE  24   1.959  -9.165  -7.718
  180   2HG1  ILE  24          1HG1      ILE  24   3.595  -9.729  -8.036
  181   1HG2  ILE  24          1HG2      ILE  24   4.819  -6.899  -8.409
  182   2HG2  ILE  24          2HG2      ILE  24   4.553  -6.840 -10.152
  183   3HG2  ILE  24          3HG2      ILE  24   5.144  -8.325  -9.399
  184   1HD1  ILE  24          1HD1      ILE  24   2.835  -7.365  -6.341
  185   2HD1  ILE  24          2HD1      ILE  24   4.479  -7.913  -6.663
  186   3HD1  ILE  24          3HD1      ILE  24   3.368  -8.941  -5.758
  187    H    ALA  25           H        ALA  25   3.378  -4.543  -9.159
  188    HA   ALA  25           HA       ALA  25   2.059  -3.725 -11.589
  189   1HB   ALA  25          1HB       ALA  25   4.311  -2.409 -10.092
  190   2HB   ALA  25          2HB       ALA  25   2.593  -2.157  -9.793
  191   3HB   ALA  25          3HB       ALA  25   3.298  -1.672 -11.334
  192    H    ARG  26           H        ARG  26   4.174  -5.999 -11.293
  193    HA   ARG  26           HA       ARG  26   5.798  -6.983 -12.521
  194   1HB   ARG  26          2HB       ARG  26   4.000  -6.420 -14.278
  195   2HB   ARG  26          1HB       ARG  26   5.095  -5.140 -14.781
  196   1HG   ARG  26          2HG       ARG  26   5.456  -7.028 -16.191
  197   2HG   ARG  26          1HG       ARG  26   6.854  -6.862 -15.128
  198   1HD   ARG  26          2HD       ARG  26   5.922  -8.595 -13.659
  199   2HD   ARG  26          1HD       ARG  26   4.548  -8.769 -14.748
  200    HE   ARG  26           HE       ARG  26   7.011  -9.140 -16.127
  201   1HH1  ARG  26          1HH1      ARG  26   4.754 -10.741 -13.982
  202   2HH1  ARG  26          2HH1      ARG  26   5.227 -12.344 -14.459
  203   1HH2  ARG  26          1HH2      ARG  26   7.633 -11.216 -16.773
  204   2HH2  ARG  26          2HH2      ARG  26   6.874 -12.616 -16.064
  205    H    GLN  27           H        GLN  27   7.514  -6.283 -11.377
  206    HA   GLN  27           HA       GLN  27   9.531  -4.689 -12.321
  207   1HB   GLN  27          2HB       GLN  27   7.882  -2.817 -12.238
  208   2HB   GLN  27          1HB       GLN  27   7.718  -3.070 -10.506
  209   1HG   GLN  27          2HG       GLN  27  10.024  -2.457 -10.159
  210   2HG   GLN  27          1HG       GLN  27  10.281  -2.323 -11.896
  211   1HE2  GLN  27          1HE2      GLN  27   8.840  -0.863  -9.080
  212   2HE2  GLN  27          2HE2      GLN  27   8.544   0.683  -9.808
  213    H    GLY  28           H        GLY  28   7.658  -5.913  -9.708
  214   1HA   GLY  28          2HA       GLY  28   8.883  -7.419  -8.180
  215   2HA   GLY  28          1HA       GLY  28  10.104  -6.160  -8.065
  216    H    ASP  29           H        ASP  29   7.533  -4.348  -8.183
  217    HA   ASP  29           HA       ASP  29   7.262  -4.269  -5.274
  218   1HB   ASP  29          2HB       ASP  29   6.464  -2.196  -7.327
  219   2HB   ASP  29          1HB       ASP  29   6.432  -1.992  -5.578
  220    H    GLY  30           H        GLY  30   5.283  -4.269  -4.254
  221   1HA   GLY  30          2HA       GLY  30   3.239  -5.712  -5.736
  222   2HA   GLY  30          1HA       GLY  30   3.329  -5.528  -3.992
  223    H    ILE  31           H        ILE  31   1.072  -5.168  -5.779
  224    HA   ILE  31           HA       ILE  31   0.547  -2.301  -5.383
  225    HB   ILE  31           HB       ILE  31  -0.729  -4.245  -7.313
  226   1HG1  ILE  31          2HG1      ILE  31   1.482  -3.464  -8.011
  227   2HG1  ILE  31          1HG1      ILE  31   0.234  -2.755  -9.030
  228   1HG2  ILE  31          1HG2      ILE  31  -2.407  -2.707  -6.447
  229   2HG2  ILE  31          2HG2      ILE  31  -2.036  -2.340  -8.131
  230   3HG2  ILE  31          3HG2      ILE  31  -1.373  -1.334  -6.844
  231   1HD1  ILE  31          1HD1      ILE  31   1.639  -1.390  -6.751
  232   2HD1  ILE  31          2HD1      ILE  31   0.376  -0.679  -7.755
  233   3HD1  ILE  31          3HD1      ILE  31   1.926  -1.119  -8.470
  234    H    ALA  32           H        ALA  32  -0.597  -1.895  -3.656
  235    HA   ALA  32           HA       ALA  32  -2.898  -3.637  -3.046
  236   1HB   ALA  32          1HB       ALA  32  -1.191  -3.654  -1.253
  237   2HB   ALA  32          2HB       ALA  32  -2.720  -2.957  -0.717
  238   3HB   ALA  32          3HB       ALA  32  -1.357  -1.905  -1.102
  239    H    ARG  33           H        ARG  33  -4.574  -2.633  -4.001
  240    HA   ARG  33           HA       ARG  33  -4.688   0.296  -3.851
  241   1HB   ARG  33          2HB       ARG  33  -6.413  -0.016  -5.747
  242   2HB   ARG  33          1HB       ARG  33  -4.707  -0.224  -6.120
  243   1HG   ARG  33          2HG       ARG  33  -4.933  -2.615  -6.073
  244   2HG   ARG  33          1HG       ARG  33  -6.607  -2.484  -5.529
  245   1HD   ARG  33          2HD       ARG  33  -7.295  -1.554  -7.598
  246   2HD   ARG  33          1HD       ARG  33  -5.628  -1.321  -8.123
  247    HE   ARG  33           HE       ARG  33  -5.462  -3.595  -8.605
  248   1HH1  ARG  33          1HH1      ARG  33  -8.607  -2.795  -7.266
  249   2HH1  ARG  33          2HH1      ARG  33  -9.335  -4.290  -7.765
  250   1HH2  ARG  33          1HH2      ARG  33  -6.421  -5.557  -9.259
  251   2HH2  ARG  33          2HH2      ARG  33  -8.094  -5.868  -8.896
  252    H    ILE  34           H        ILE  34  -5.973   1.053  -2.351
  253    HA   ILE  34           HA       ILE  34  -8.349  -0.484  -1.583
  254    HB   ILE  34           HB       ILE  34  -6.968   1.824  -0.204
  255   1HG1  ILE  34          2HG1      ILE  34  -7.366  -1.086   0.521
  256   2HG1  ILE  34          1HG1      ILE  34  -5.847  -0.308   0.091
  257   1HG2  ILE  34          1HG2      ILE  34  -9.365   2.083   0.081
  258   2HG2  ILE  34          2HG2      ILE  34  -8.633   1.544   1.594
  259   3HG2  ILE  34          3HG2      ILE  34  -9.508   0.398   0.581
  260   1HD1  ILE  34          1HD1      ILE  34  -7.499   0.302   2.535
  261   2HD1  ILE  34          2HD1      ILE  34  -5.953   1.040   2.117
  262   3HD1  ILE  34          3HD1      ILE  34  -6.035  -0.681   2.497
  263    H    GLU  35           H        GLU  35 -10.194   0.027  -2.434
  264    HA   GLU  35           HA       GLU  35 -11.915   1.134  -3.413
  265   1HB   GLU  35          2HB       GLU  35 -10.639   3.593  -2.198
  266   2HB   GLU  35          1HB       GLU  35 -12.278   3.492  -2.828
  267   1HG   GLU  35          2HG       GLU  35 -12.678   1.673  -1.126
  268   2HG   GLU  35          1HG       GLU  35 -11.135   2.133  -0.411
  269    H    GLY  36           H        GLY  36  -9.321   0.773  -4.787
  270   1HA   GLY  36          2HA       GLY  36  -8.967   1.080  -7.108
  271   2HA   GLY  36          1HA       GLY  36  -9.878   2.581  -7.023
  272    H    PHE  37           H        PHE  37  -8.241   3.171  -4.500
  273    HA   PHE  37           HA       PHE  37  -6.294   4.783  -5.816
  274   1HB   PHE  37          2HB       PHE  37  -7.491   5.429  -3.721
  275   2HB   PHE  37          1HB       PHE  37  -6.591   4.185  -2.865
  276    HD1  PHE  37           HD1      PHE  37  -5.990   7.126  -5.062
  277    HD2  PHE  37           HD2      PHE  37  -4.698   4.810  -1.739
  278    HE1  PHE  37           HE1      PHE  37  -4.210   8.764  -4.617
  279    HE2  PHE  37           HE2      PHE  37  -2.916   6.440  -1.288
  280    HZ   PHE  37           HZ       PHE  37  -2.671   8.421  -2.725
  281    H    VAL  38           H        VAL  38  -4.511   3.926  -6.657
  282    HA   VAL  38           HA       VAL  38  -3.516   1.375  -5.818
  283    HB   VAL  38           HB       VAL  38  -2.318   3.335  -7.783
  284   1HG1  VAL  38          1HG1      VAL  38  -0.675   1.733  -7.042
  285   2HG1  VAL  38          2HG1      VAL  38  -1.164   1.362  -8.697
  286   3HG1  VAL  38          3HG1      VAL  38  -1.787   0.401  -7.355
  287   1HG2  VAL  38          1HG2      VAL  38  -4.557   2.709  -8.458
  288   2HG2  VAL  38          2HG2      VAL  38  -4.167   1.000  -8.251
  289   3HG2  VAL  38          3HG2      VAL  38  -3.368   1.942  -9.509
  290    H    ILE  39           H        ILE  39  -2.085   0.993  -4.274
  291    HA   ILE  39           HA       ILE  39  -0.181   3.125  -3.575
  292    HB   ILE  39           HB       ILE  39  -1.281   0.965  -1.769
  293   1HG1  ILE  39          2HG1      ILE  39  -1.823   3.944  -1.805
  294   2HG1  ILE  39          1HG1      ILE  39  -2.932   2.709  -2.389
  295   1HG2  ILE  39          1HG2      ILE  39  -0.133   2.181   0.023
  296   2HG2  ILE  39          2HG2      ILE  39   0.538   3.295  -1.171
  297   3HG2  ILE  39          3HG2      ILE  39   0.997   1.592  -1.194
  298   1HD1  ILE  39          1HD1      ILE  39  -3.131   1.803  -0.161
  299   2HD1  ILE  39          2HD1      ILE  39  -3.520   3.525  -0.169
  300   3HD1  ILE  39          3HD1      ILE  39  -1.958   2.975   0.439
  301    H    PHE  40           H        PHE  40   1.918   2.653  -3.745
  302    HA   PHE  40           HA       PHE  40   2.642   0.009  -4.744
  303   1HB   PHE  40          2HB       PHE  40   4.132   2.636  -4.650
  304   2HB   PHE  40          1HB       PHE  40   4.860   1.134  -5.206
  305    HD1  PHE  40           HD1      PHE  40   2.169   3.584  -5.910
  306    HD2  PHE  40           HD2      PHE  40   4.523   0.359  -7.388
  307    HE1  PHE  40           HE1      PHE  40   1.323   4.009  -8.182
  308    HE2  PHE  40           HE2      PHE  40   3.679   0.777  -9.659
  309    HZ   PHE  40           HZ       PHE  40   2.078   2.606 -10.059
  310    H    VAL  41           H        VAL  41   3.517  -1.472  -3.474
  311    HA   VAL  41           HA       VAL  41   4.913  -0.580  -1.034
  312    HB   VAL  41           HB       VAL  41   3.787  -3.332  -1.583
  313   1HG1  VAL  41          1HG1      VAL  41   4.851  -2.088   0.950
  314   2HG1  VAL  41          2HG1      VAL  41   5.659  -3.314  -0.026
  315   3HG1  VAL  41          3HG1      VAL  41   4.155  -3.701   0.805
  316   1HG2  VAL  41          1HG2      VAL  41   2.009  -2.752   0.012
  317   2HG2  VAL  41          2HG2      VAL  41   1.970  -1.719  -1.420
  318   3HG2  VAL  41          3HG2      VAL  41   2.633  -1.103   0.095
  319    HA   PRO  42           HA       PRO  42   8.477  -1.597  -3.539
  320   1HB   PRO  42          2HB       PRO  42  10.273  -1.242  -1.453
  321   2HB   PRO  42          1HB       PRO  42   9.706   0.026  -2.543
  322   1HG   PRO  42          2HG       PRO  42   8.788  -0.660   0.214
  323   2HG   PRO  42          1HG       PRO  42   8.972   0.932  -0.547
  324   1HD   PRO  42          2HD       PRO  42   6.563  -0.208  -0.235
  325   2HD   PRO  42          1HD       PRO  42   6.952   0.774  -1.662
  326    H    GLY  43           H        GLY  43   8.868  -3.628  -4.034
  327   1HA   GLY  43          2HA       GLY  43   9.674  -5.767  -3.902
  328   2HA   GLY  43          1HA       GLY  43  10.439  -5.294  -2.397
  329    H    THR  44           H        THR  44   7.308  -6.321  -3.741
  330    HA   THR  44           HA       THR  44   7.008  -8.088  -1.443
  331    HB   THR  44           HB       THR  44   4.466  -7.414  -1.514
  332    HG1  THR  44           HG1      THR  44   5.726  -4.957  -2.209
  333   1HG2  THR  44          1HG2      THR  44   5.885  -7.279   0.467
  334   2HG2  THR  44          2HG2      THR  44   4.851  -5.856   0.342
  335   3HG2  THR  44          3HG2      THR  44   6.554  -5.749  -0.103
  336    H    LYS  45           H        LYS  45   5.278  -9.705  -1.776
  337    HA   LYS  45           HA       LYS  45   5.014 -10.362  -4.646
  338   1HB   LYS  45          2HB       LYS  45   6.628 -11.726  -3.164
  339   2HB   LYS  45          1HB       LYS  45   5.182 -12.374  -2.407
  340   1HG   LYS  45          2HG       LYS  45   5.916 -13.922  -4.053
  341   2HG   LYS  45          1HG       LYS  45   4.441 -13.156  -4.650
  342   1HD   LYS  45          2HD       LYS  45   5.656 -11.778  -6.149
  343   2HD   LYS  45          1HD       LYS  45   7.193 -12.187  -5.383
  344   1HE   LYS  45          2HE       LYS  45   5.421 -14.066  -6.939
  345   2HE   LYS  45          1HE       LYS  45   6.949 -13.374  -7.490
  346   1HZ   LYS  45          1HZ       LYS  45   6.542 -15.293  -5.261
  347   2HZ   LYS  45          2HZ       LYS  45   8.010 -14.491  -5.554
  348   3HZ   LYS  45          3HZ       LYS  45   7.384 -15.559  -6.710
  349    H    VAL  46           H        VAL  46   3.044 -11.436  -5.272
  350    HA   VAL  46           HA       VAL  46   0.713 -10.631  -3.924
  351    HB   VAL  46           HB       VAL  46   1.004 -12.924  -5.883
  352   1HG1  VAL  46          1HG1      VAL  46  -1.389 -12.666  -6.275
  353   2HG1  VAL  46          2HG1      VAL  46  -1.469 -11.401  -5.049
  354   3HG1  VAL  46          3HG1      VAL  46  -1.077 -13.058  -4.584
  355   1HG2  VAL  46          1HG2      VAL  46   0.226 -11.319  -7.552
  356   2HG2  VAL  46          2HG2      VAL  46   1.746 -10.810  -6.819
  357   3HG2  VAL  46          3HG2      VAL  46   0.233 -10.045  -6.332
  358    H    GLY  47           H        GLY  47  -0.320 -11.430  -2.217
  359   1HA   GLY  47          2HA       GLY  47  -1.132 -13.251  -0.882
  360   2HA   GLY  47          1HA       GLY  47   0.269 -14.190  -1.378
  361    H    ASP  48           H        ASP  48   1.614 -11.329  -0.852
  362    HA   ASP  48           HA       ASP  48   2.587 -11.962   1.744
  363   1HB   ASP  48          2HB       ASP  48   2.991  -9.748  -0.184
  364   2HB   ASP  48          1HB       ASP  48   3.275  -9.361   1.508
  365    H    GLU  49           H        GLU  49   1.229 -11.951   3.399
  366    HA   GLU  49           HA       GLU  49  -0.661  -9.778   3.777
  367   1HB   GLU  49          2HB       GLU  49   0.033 -12.083   5.617
  368   2HB   GLU  49          1HB       GLU  49  -1.334 -10.992   5.791
  369   1HG   GLU  49          2HG       GLU  49  -2.261 -11.831   3.683
  370   2HG   GLU  49          1HG       GLU  49  -0.901 -12.946   3.543
  371    H    VAL  50           H        VAL  50   0.423  -7.907   4.238
  372    HA   VAL  50           HA       VAL  50   2.430  -8.011   6.382
  373    HB   VAL  50           HB       VAL  50   3.898  -6.470   5.072
  374   1HG1  VAL  50          1HG1      VAL  50   3.395  -9.183   3.852
  375   2HG1  VAL  50          2HG1      VAL  50   4.424  -8.838   5.243
  376   3HG1  VAL  50          3HG1      VAL  50   4.860  -8.222   3.649
  377   1HG2  VAL  50          1HG2      VAL  50   2.265  -5.629   3.481
  378   2HG2  VAL  50          2HG2      VAL  50   2.069  -7.244   2.798
  379   3HG2  VAL  50          3HG2      VAL  50   3.605  -6.395   2.628
  380    H    ARG  51           H        ARG  51   2.733  -6.201   7.581
  381    HA   ARG  51           HA       ARG  51   0.654  -4.212   7.603
  382   1HB   ARG  51          2HB       ARG  51   2.605  -5.194   9.414
  383   2HB   ARG  51          1HB       ARG  51   2.913  -3.478   9.201
  384   1HG   ARG  51          2HG       ARG  51   0.318  -3.316   9.610
  385   2HG   ARG  51          1HG       ARG  51   0.600  -4.858  10.426
  386   1HD   ARG  51          2HD       ARG  51   1.724  -2.152  11.059
  387   2HD   ARG  51          1HD       ARG  51   0.895  -3.285  12.126
  388    HE   ARG  51           HE       ARG  51   3.201  -4.572  11.316
  389   1HH1  ARG  51          1HH1      ARG  51   2.377  -1.671  13.122
  390   2HH1  ARG  51          2HH1      ARG  51   3.895  -1.618  13.970
  391   1HH2  ARG  51          1HH2      ARG  51   5.181  -4.512  12.429
  392   2HH2  ARG  51          2HH2      ARG  51   5.480  -3.251  13.591
  393    H    ILE  52           H        ILE  52   0.704  -2.431   6.345
  394    HA   ILE  52           HA       ILE  52   3.370  -1.432   5.595
  395    HB   ILE  52           HB       ILE  52   2.321  -0.445   3.574
  396   1HG1  ILE  52          2HG1      ILE  52   0.104  -1.838   2.985
  397   2HG1  ILE  52          1HG1      ILE  52  -0.090  -1.749   4.730
  398   1HG2  ILE  52          1HG2      ILE  52   3.556  -2.537   3.461
  399   2HG2  ILE  52          2HG2      ILE  52   2.215  -2.537   2.316
  400   3HG2  ILE  52          3HG2      ILE  52   2.084  -3.437   3.827
  401   1HD1  ILE  52          1HD1      ILE  52  -1.269   0.048   3.622
  402   2HD1  ILE  52          2HD1      ILE  52   0.231   0.590   2.868
  403   3HD1  ILE  52          3HD1      ILE  52   0.040   0.678   4.619
  404    H    LYS  53           H        LYS  53   3.832   0.681   5.892
  405    HA   LYS  53           HA       LYS  53   1.728   2.295   7.144
  406   1HB   LYS  53          2HB       LYS  53   3.909   2.153   8.358
  407   2HB   LYS  53          1HB       LYS  53   4.686   2.930   6.980
  408   1HG   LYS  53          2HG       LYS  53   3.047   4.830   7.295
  409   2HG   LYS  53          1HG       LYS  53   2.615   4.083   8.828
  410   1HD   LYS  53          2HD       LYS  53   5.001   4.250   9.507
  411   2HD   LYS  53          1HD       LYS  53   5.314   5.140   8.016
  412   1HE   LYS  53          2HE       LYS  53   3.600   6.794   8.716
  413   2HE   LYS  53          1HE       LYS  53   3.470   5.946  10.255
  414   1HZ   LYS  53          1HZ       LYS  53   4.937   7.820  10.468
  415   2HZ   LYS  53          2HZ       LYS  53   5.899   7.280   9.178
  416   3HZ   LYS  53          3HZ       LYS  53   5.841   6.392  10.625
  417    H    VAL  54           H        VAL  54   0.622   3.472   5.804
  418    HA   VAL  54           HA       VAL  54   1.524   4.325   3.244
  419    HB   VAL  54           HB       VAL  54  -0.828   5.093   4.978
  420   1HG1  VAL  54          1HG1      VAL  54  -0.287   6.029   2.166
  421   2HG1  VAL  54          2HG1      VAL  54  -0.245   7.036   3.613
  422   3HG1  VAL  54          3HG1      VAL  54  -1.761   6.297   3.098
  423   1HG2  VAL  54          1HG2      VAL  54  -0.598   3.545   2.408
  424   2HG2  VAL  54          2HG2      VAL  54  -2.097   3.897   3.270
  425   3HG2  VAL  54          3HG2      VAL  54  -0.871   2.869   4.012
  426    H    GLU  55           H        GLU  55   3.277   5.605   3.215
  427    HA   GLU  55           HA       GLU  55   3.767   7.397   5.444
  428   1HB   GLU  55          2HB       GLU  55   5.478   6.600   3.090
  429   2HB   GLU  55          1HB       GLU  55   6.009   7.637   4.400
  430   1HG   GLU  55          2HG       GLU  55   5.552   5.763   5.974
  431   2HG   GLU  55          1HG       GLU  55   5.234   4.743   4.570
  432    H    ARG  56           H        ARG  56   3.146   7.597   1.988
  433    HA   ARG  56           HA       ARG  56   2.755  10.476   2.215
  434   1HB   ARG  56          2HB       ARG  56   5.245   9.657   1.544
  435   2HB   ARG  56          1HB       ARG  56   4.501   9.655  -0.045
  436   1HG   ARG  56          2HG       ARG  56   4.509  12.028   1.802
  437   2HG   ARG  56          1HG       ARG  56   5.718  11.745   0.552
  438   1HD   ARG  56          2HD       ARG  56   3.736  11.629  -1.066
  439   2HD   ARG  56          1HD       ARG  56   2.793  12.348   0.241
  440    HE   ARG  56           HE       ARG  56   5.219  13.776  -0.338
  441   1HH1  ARG  56          1HH1      ARG  56   1.825  13.445  -1.168
  442   2HH1  ARG  56          2HH1      ARG  56   1.733  15.012  -1.910
  443   1HH2  ARG  56          1HH2      ARG  56   5.102  15.814  -1.344
  444   2HH2  ARG  56          2HH2      ARG  56   3.592  16.354  -2.022
  445    H    VAL  57           H        VAL  57   1.096  11.096   0.908
  446    HA   VAL  57           HA       VAL  57   0.193   9.095  -1.054
  447    HB   VAL  57           HB       VAL  57  -2.084   9.899  -0.759
  448   1HG1  VAL  57          1HG1      VAL  57  -1.286   8.094   0.675
  449   2HG1  VAL  57          2HG1      VAL  57  -2.483   9.088   1.503
  450   3HG1  VAL  57          3HG1      VAL  57  -0.771   9.273   1.882
  451   1HG2  VAL  57          1HG2      VAL  57  -0.954  11.750   1.343
  452   2HG2  VAL  57          2HG2      VAL  57  -2.666  11.507   0.993
  453   3HG2  VAL  57          3HG2      VAL  57  -1.612  12.236  -0.219
  454    H    LEU  58           H        LEU  58  -0.172   9.654  -3.093
  455    HA   LEU  58           HA       LEU  58  -0.179  12.513  -3.814
  456   1HB   LEU  58          2HB       LEU  58   0.812  10.102  -5.347
  457   2HB   LEU  58          1HB       LEU  58   0.443  11.614  -6.141
  458    HG   LEU  58           HG       LEU  58   2.797  11.509  -5.847
  459   1HD1  LEU  58          1HD1      LEU  58   1.620  13.343  -3.768
  460   2HD1  LEU  58          2HD1      LEU  58   1.820  13.692  -5.485
  461   3HD1  LEU  58          3HD1      LEU  58   3.239  13.473  -4.462
  462   1HD2  LEU  58          1HD2      LEU  58   2.284  10.975  -2.924
  463   2HD2  LEU  58          2HD2      LEU  58   3.864  11.249  -3.655
  464   3HD2  LEU  58          3HD2      LEU  58   2.921   9.829  -4.103
  465    HA   PRO  59           HA       PRO  59  -4.356  12.117  -5.096
  466   1HB   PRO  59          2HB       PRO  59  -3.595  13.216  -7.754
  467   2HB   PRO  59          1HB       PRO  59  -4.818  13.777  -6.609
  468   1HG   PRO  59          2HG       PRO  59  -2.525  15.090  -6.878
  469   2HG   PRO  59          1HG       PRO  59  -3.260  14.871  -5.278
  470   1HD   PRO  59          2HD       PRO  59  -0.939  13.444  -6.511
  471   2HD   PRO  59          1HD       PRO  59  -1.179  13.970  -4.830
  472    H    LYS  60           H        LYS  60  -1.899  10.701  -7.113
  473    HA   LYS  60           HA       LYS  60  -3.927   9.104  -8.515
  474   1HB   LYS  60          2HB       LYS  60  -1.024   9.597  -9.166
  475   2HB   LYS  60          1HB       LYS  60  -2.066   8.505 -10.063
  476   1HG   LYS  60          2HG       LYS  60  -3.519  10.373 -10.660
  477   2HG   LYS  60          1HG       LYS  60  -2.472  11.473  -9.760
  478   1HD   LYS  60          2HD       LYS  60  -0.628  10.991 -11.236
  479   2HD   LYS  60          1HD       LYS  60  -1.577   9.767 -12.078
  480   1HE   LYS  60          2HE       LYS  60  -3.161  11.523 -12.778
  481   2HE   LYS  60          1HE       LYS  60  -2.137  12.729 -11.998
  482   1HZ   LYS  60          1HZ       LYS  60  -1.784  12.489 -14.431
  483   2HZ   LYS  60          2HZ       LYS  60  -1.201  10.921 -14.159
  484   3HZ   LYS  60          3HZ       LYS  60  -0.381  12.255 -13.511
  485    H    PHE  61           H        PHE  61  -1.378   8.860  -6.175
  486    HA   PHE  61           HA       PHE  61  -1.812   6.096  -5.701
  487   1HB   PHE  61          2HB       PHE  61   0.333   5.202  -6.462
  488   2HB   PHE  61          1HB       PHE  61  -0.560   5.875  -7.821
  489    HD1  PHE  61           HD1      PHE  61   2.444   6.065  -5.818
  490    HD2  PHE  61           HD2      PHE  61   0.140   8.045  -8.800
  491    HE1  PHE  61           HE1      PHE  61   4.396   7.435  -6.409
  492    HE2  PHE  61           HE2      PHE  61   2.091   9.423  -9.394
  493    HZ   PHE  61           HZ       PHE  61   4.225   9.115  -8.197
  494    H    ALA  62           H        ALA  62  -0.219   5.233  -4.070
  495    HA   ALA  62           HA       ALA  62   1.012   7.438  -2.548
  496   1HB   ALA  62          1HB       ALA  62   0.198   6.495  -0.467
  497   2HB   ALA  62          2HB       ALA  62  -0.606   5.197  -1.350
  498   3HB   ALA  62          3HB       ALA  62  -1.147   6.864  -1.544
  499    H    PHE  63           H        PHE  63   2.650   6.823  -1.063
  500    HA   PHE  63           HA       PHE  63   4.049   4.343  -1.796
  501   1HB   PHE  63          2HB       PHE  63   5.072   6.860  -0.456
  502   2HB   PHE  63          1HB       PHE  63   6.041   5.421  -0.744
  503    HD1  PHE  63           HD1      PHE  63   6.454   4.706  -3.125
  504    HD2  PHE  63           HD2      PHE  63   4.812   8.498  -2.094
  505    HE1  PHE  63           HE1      PHE  63   7.100   5.581  -5.330
  506    HE2  PHE  63           HE2      PHE  63   5.451   9.378  -4.304
  507    HZ   PHE  63           HZ       PHE  63   6.596   7.918  -5.923
  508    H    ALA  64           H        ALA  64   4.154   2.745  -0.335
  509    HA   ALA  64           HA       ALA  64   3.892   3.403   2.506
  510   1HB   ALA  64          1HB       ALA  64   2.223   1.292   1.131
  511   2HB   ALA  64          2HB       ALA  64   1.631   2.840   1.736
  512   3HB   ALA  64          3HB       ALA  64   2.251   1.631   2.861
  513    H    SER  65           H        SER  65   5.362   2.356   3.670
  514    HA   SER  65           HA       SER  65   6.830   0.179   2.368
  515   1HB   SER  65          2HB       SER  65   8.068   2.215   3.207
  516   2HB   SER  65          1HB       SER  65   7.633   1.722   4.843
  517    HG   SER  65           HG       SER  65   9.331   0.493   4.759
  518    H    VAL  66           H        VAL  66   7.191  -1.788   3.418
  519    HA   VAL  66           HA       VAL  66   5.111  -2.528   5.280
  520    HB   VAL  66           HB       VAL  66   5.542  -4.094   3.518
  521   1HG1  VAL  66          1HG1      VAL  66   8.385  -4.242   4.514
  522   2HG1  VAL  66          2HG1      VAL  66   7.847  -3.501   3.006
  523   3HG1  VAL  66          3HG1      VAL  66   7.685  -5.243   3.239
  524   1HG2  VAL  66          1HG2      VAL  66   4.899  -5.091   5.621
  525   2HG2  VAL  66          2HG2      VAL  66   6.581  -5.152   6.140
  526   3HG2  VAL  66          3HG2      VAL  66   6.042  -6.143   4.788
  527    H    VAL  67           H        VAL  67   5.329  -2.316   7.383
  528    HA   VAL  67           HA       VAL  67   8.017  -2.307   8.544
  529    HB   VAL  67           HB       VAL  67   6.944  -1.308  10.562
  530   1HG1  VAL  67          1HG1      VAL  67   7.984   0.134   8.908
  531   2HG1  VAL  67          2HG1      VAL  67   6.542   0.906   9.568
  532   3HG1  VAL  67          3HG1      VAL  67   6.494   0.166   7.969
  533   1HG2  VAL  67          1HG2      VAL  67   4.653  -0.429  10.355
  534   2HG2  VAL  67          2HG2      VAL  67   4.698  -2.190  10.282
  535   3HG2  VAL  67          3HG2      VAL  67   4.492  -1.251   8.802
  536    H    GLU  68           H        GLU  68   5.808  -4.412   7.881
  537    HA   GLU  68           HA       GLU  68   5.117  -6.447   8.586
  538   1HB   GLU  68          2HB       GLU  68   7.799  -6.410   9.968
  539   2HB   GLU  68          1HB       GLU  68   6.850  -7.845   9.593
  540   1HG   GLU  68          2HG       GLU  68   7.019  -7.282   7.194
  541   2HG   GLU  68          1HG       GLU  68   8.067  -5.929   7.619
  Start of MODEL    3
    1   1H    MET   1          1HT       MET   1 -23.675  21.092   5.075
    2   2H    MET   1          2HT       MET   1 -24.000  19.482   4.647
    3   3H    MET   1          3HT       MET   1 -22.583  20.234   4.105
    4    HA   MET   1           HA       MET   1 -23.241  19.623   6.926
    5   1HB   MET   1          2HB       MET   1 -22.689  17.679   5.414
    6   2HB   MET   1          1HB       MET   1 -21.126  18.421   5.125
    7   1HG   MET   1          2HG       MET   1 -20.573  18.211   7.486
    8   2HG   MET   1          1HG       MET   1 -22.159  17.501   7.798
    9   1HE   MET   1          1HE       MET   1 -19.911  14.381   8.251
   10   2HE   MET   1          2HE       MET   1 -21.178  15.398   8.942
   11   3HE   MET   1          3HE       MET   1 -19.545  16.034   8.747
   12    H    PHE   2           H        PHE   2 -20.358  20.112   4.912
   13    HA   PHE   2           HA       PHE   2 -19.730  22.703   5.617
   14   1HB   PHE   2          2HB       PHE   2 -19.499  21.605   7.947
   15   2HB   PHE   2          1HB       PHE   2 -18.047  20.847   7.309
   16    HD1  PHE   2           HD1      PHE   2 -19.559  23.923   8.492
   17    HD2  PHE   2           HD2      PHE   2 -16.095  22.211   6.706
   18    HE1  PHE   2           HE1      PHE   2 -18.283  25.954   9.033
   19    HE2  PHE   2           HE2      PHE   2 -14.811  24.238   7.246
   20    HZ   PHE   2           HZ       PHE   2 -15.908  26.115   8.409
   21    H    ARG   3           H        ARG   3 -17.504  19.979   5.901
   22    HA   ARG   3           HA       ARG   3 -16.924  19.677   3.163
   23   1HB   ARG   3          2HB       ARG   3 -14.771  20.707   2.960
   24   2HB   ARG   3          1HB       ARG   3 -15.879  21.937   3.548
   25   1HG   ARG   3          2HG       ARG   3 -15.016  21.664   5.804
   26   2HG   ARG   3          1HG       ARG   3 -13.935  20.385   5.247
   27   1HD   ARG   3          2HD       ARG   3 -12.948  22.059   3.656
   28   2HD   ARG   3          1HD       ARG   3 -13.892  23.296   4.481
   29    HE   ARG   3           HE       ARG   3 -12.261  21.744   6.269
   30   1HH1  ARG   3          1HH1      ARG   3 -12.296  24.462   4.067
   31   2HH1  ARG   3          2HH1      ARG   3 -10.938  25.246   4.807
   32   1HH2  ARG   3          1HH2      ARG   3 -10.476  22.789   7.262
   33   2HH2  ARG   3          2HH2      ARG   3  -9.904  24.304   6.627
   34    H    GLU   4           H        GLU   4 -17.387  18.231   5.678
   35    HA   GLU   4           HA       GLU   4 -14.790  17.078   6.338
   36   1HB   GLU   4          2HB       GLU   4 -16.215  17.999   8.142
   37   2HB   GLU   4          1HB       GLU   4 -17.457  16.823   7.743
   38   1HG   GLU   4          2HG       GLU   4 -16.193  15.041   8.558
   39   2HG   GLU   4          1HG       GLU   4 -14.695  15.970   8.525
   40    H    GLU   5           H        GLU   5 -14.206  15.193   5.565
   41    HA   GLU   5           HA       GLU   5 -14.208  13.121   4.655
   42   1HB   GLU   5          2HB       GLU   5 -17.008  13.098   5.764
   43   2HB   GLU   5          1HB       GLU   5 -16.346  11.736   4.873
   44   1HG   GLU   5          2HG       GLU   5 -14.512  11.602   6.524
   45   2HG   GLU   5          1HG       GLU   5 -15.297  12.884   7.447
   46    H    SER   6           H        SER   6 -15.920  11.690   3.144
   47    HA   SER   6           HA       SER   6 -16.799  11.443   1.075
   48   1HB   SER   6          2HB       SER   6 -17.595  14.353   1.357
   49   2HB   SER   6          1HB       SER   6 -18.218  13.225   0.153
   50    HG   SER   6           HG       SER   6 -18.412  12.319   2.745
   51    H    ARG   7           H        ARG   7 -14.030  12.337   1.511
   52    HA   ARG   7           HA       ARG   7 -13.538  13.815  -0.983
   53   1HB   ARG   7          2HB       ARG   7 -11.758  13.434   1.434
   54   2HB   ARG   7          1HB       ARG   7 -11.336  14.360  -0.005
   55   1HG   ARG   7          2HG       ARG   7 -13.142  15.915   0.427
   56   2HG   ARG   7          1HG       ARG   7 -13.662  14.962   1.816
   57   1HD   ARG   7          2HD       ARG   7 -12.402  16.901   2.540
   58   2HD   ARG   7          1HD       ARG   7 -11.519  15.422   2.916
   59    HE   ARG   7           HE       ARG   7  -9.871  16.050   1.459
   60   1HH1  ARG   7          1HH1      ARG   7 -12.653  18.137   1.035
   61   2HH1  ARG   7          2HH1      ARG   7 -11.828  19.256  -0.008
   62   1HH2  ARG   7          1HH2      ARG   7  -8.777  17.519   0.107
   63   2HH2  ARG   7          2HH2      ARG   7  -9.615  18.889  -0.553
   64    H    SER   8           H        SER   8 -11.654  13.145  -2.262
   65    HA   SER   8           HA       SER   8 -11.952  10.318  -2.764
   66   1HB   SER   8          2HB       SER   8 -10.321  12.357  -4.283
   67   2HB   SER   8          1HB       SER   8 -10.875  10.790  -4.871
   68    HG   SER   8           HG       SER   8 -13.019  11.546  -4.706
   69    H    VAL   9           H        VAL   9 -10.424  10.962  -0.395
   70    HA   VAL   9           HA       VAL   9  -7.908   9.644  -1.133
   71    HB   VAL   9           HB       VAL   9  -6.897  10.943   0.873
   72   1HG1  VAL   9          1HG1      VAL   9  -7.501  12.328  -1.741
   73   2HG1  VAL   9          2HG1      VAL   9  -6.165  11.216  -1.435
   74   3HG1  VAL   9          3HG1      VAL   9  -6.218  12.777  -0.615
   75   1HG2  VAL   9          1HG2      VAL   9  -9.174  12.782   0.125
   76   2HG2  VAL   9          2HG2      VAL   9  -7.832  13.184   1.197
   77   3HG2  VAL   9          3HG2      VAL   9  -8.988  11.936   1.662
   78    HA   PRO  10           HA       PRO  10  -9.958   6.950   1.843
   79   1HB   PRO  10          2HB       PRO  10  -8.036   4.955   0.898
   80   2HB   PRO  10          1HB       PRO  10  -9.799   4.949   0.794
   81   1HG   PRO  10          2HG       PRO  10  -8.235   5.277  -1.379
   82   2HG   PRO  10          1HG       PRO  10  -9.818   6.062  -1.223
   83   1HD   PRO  10          2HD       PRO  10  -7.083   7.213  -0.785
   84   2HD   PRO  10          1HD       PRO  10  -8.485   7.926  -1.611
   85    H    VAL  11           H        VAL  11  -6.485   7.458   1.515
   86    HA   VAL  11           HA       VAL  11  -6.157   6.551   4.296
   87    HB   VAL  11           HB       VAL  11  -3.831   5.872   3.719
   88   1HG1  VAL  11          1HG1      VAL  11  -5.991   4.467   2.152
   89   2HG1  VAL  11          2HG1      VAL  11  -5.633   4.226   3.860
   90   3HG1  VAL  11          3HG1      VAL  11  -4.444   3.772   2.640
   91   1HG2  VAL  11          1HG2      VAL  11  -3.238   5.528   1.368
   92   2HG2  VAL  11          2HG2      VAL  11  -3.532   7.233   1.713
   93   3HG2  VAL  11          3HG2      VAL  11  -4.755   6.279   0.874
   94    H    GLU  12           H        GLU  12  -4.718   7.659   5.598
   95    HA   GLU  12           HA       GLU  12  -4.072  10.375   4.669
   96   1HB   GLU  12          2HB       GLU  12  -4.047   9.348   7.512
   97   2HB   GLU  12          1HB       GLU  12  -3.986  11.022   6.983
   98   1HG   GLU  12          2HG       GLU  12  -6.321   9.145   6.734
   99   2HG   GLU  12          1HG       GLU  12  -6.166  10.492   7.858
  100    H    GLU  13           H        GLU  13  -2.045  11.311   5.405
  101    HA   GLU  13           HA       GLU  13   0.189   9.686   4.863
  102   1HB   GLU  13          2HB       GLU  13   0.142  12.385   6.227
  103   2HB   GLU  13          1HB       GLU  13   1.528  11.638   5.446
  104   1HG   GLU  13          2HG       GLU  13   0.894  13.030   3.783
  105   2HG   GLU  13          1HG       GLU  13  -0.106  11.642   3.366
  106    H    GLY  14           H        GLY  14   1.070   8.209   6.127
  107   1HA   GLY  14          2HA       GLY  14   2.480   7.716   7.965
  108   2HA   GLY  14          1HA       GLY  14   1.633   8.916   8.919
  109    H    GLU  15           H        GLU  15  -0.282   6.700   7.065
  110    HA   GLU  15           HA       GLU  15  -1.252   5.619   9.611
  111   1HB   GLU  15          2HB       GLU  15  -2.410   5.391   6.835
  112   2HB   GLU  15          1HB       GLU  15  -3.133   4.707   8.282
  113   1HG   GLU  15          2HG       GLU  15  -3.122   7.097   9.185
  114   2HG   GLU  15          1HG       GLU  15  -2.834   7.581   7.514
  115    H    VAL  16           H        VAL  16  -1.921   3.274   9.610
  116    HA   VAL  16           HA       VAL  16  -0.035   1.625   8.081
  117    HB   VAL  16           HB       VAL  16   0.946   1.881  10.287
  118   1HG1  VAL  16          1HG1      VAL  16  -1.657   0.807  11.365
  119   2HG1  VAL  16          2HG1      VAL  16  -1.022   2.439  11.581
  120   3HG1  VAL  16          3HG1      VAL  16  -0.187   1.064  12.305
  121   1HG2  VAL  16          1HG2      VAL  16   1.199  -0.273   9.171
  122   2HG2  VAL  16          2HG2      VAL  16  -0.278  -0.856   9.943
  123   3HG2  VAL  16          3HG2      VAL  16   1.140  -0.469  10.923
  124    H    TYR  17           H        TYR  17  -0.953  -0.054   7.114
  125    HA   TYR  17           HA       TYR  17  -3.616  -0.909   8.026
  126   1HB   TYR  17          2HB       TYR  17  -2.755  -0.203   5.223
  127   2HB   TYR  17          1HB       TYR  17  -4.180  -1.182   5.551
  128    HD1  TYR  17           HD1      TYR  17  -6.222  -0.173   6.043
  129    HD2  TYR  17           HD2      TYR  17  -2.658   2.135   6.259
  130    HE1  TYR  17           HE1      TYR  17  -7.565   1.854   6.388
  131    HE2  TYR  17           HE2      TYR  17  -3.987   4.168   6.598
  132    HH   TYR  17           HH       TYR  17  -6.105   5.054   6.459
  133    H    ASP  18           H        ASP  18  -4.038  -3.037   7.982
  134    HA   ASP  18           HA       ASP  18  -1.960  -4.918   7.267
  135   1HB   ASP  18          2HB       ASP  18  -4.825  -5.328   8.178
  136   2HB   ASP  18          1HB       ASP  18  -3.711  -6.645   7.840
  137    H    VAL  19           H        VAL  19  -1.645  -4.745   5.052
  138    HA   VAL  19           HA       VAL  19  -4.046  -4.883   3.362
  139    HB   VAL  19           HB       VAL  19  -2.692  -3.930   1.557
  140   1HG1  VAL  19          1HG1      VAL  19  -3.928  -2.415   2.965
  141   2HG1  VAL  19          2HG1      VAL  19  -2.386  -1.679   2.528
  142   3HG1  VAL  19          3HG1      VAL  19  -2.609  -2.373   4.135
  143   1HG2  VAL  19          1HG2      VAL  19  -0.442  -3.044   2.038
  144   2HG2  VAL  19          2HG2      VAL  19  -0.512  -4.801   2.162
  145   3HG2  VAL  19          3HG2      VAL  19  -0.497  -3.815   3.623
  146    H    THR  20           H        THR  20  -4.181  -6.268   1.647
  147    HA   THR  20           HA       THR  20  -2.250  -8.473   1.615
  148    HB   THR  20           HB       THR  20  -4.927  -8.284   0.217
  149    HG1  THR  20           HG1      THR  20  -4.581  -9.903   2.481
  150   1HG2  THR  20          1HG2      THR  20  -4.713 -10.774   0.177
  151   2HG2  THR  20          2HG2      THR  20  -3.061 -10.592   0.770
  152   3HG2  THR  20          3HG2      THR  20  -3.513  -9.931  -0.800
  153    H    ILE  21           H        ILE  21  -0.732  -8.473   0.030
  154    HA   ILE  21           HA       ILE  21  -0.831  -6.621  -2.139
  155    HB   ILE  21           HB       ILE  21   0.899  -9.094  -1.919
  156   1HG1  ILE  21          2HG1      ILE  21   1.293  -7.686   0.015
  157   2HG1  ILE  21          1HG1      ILE  21   2.650  -7.534  -1.098
  158   1HG2  ILE  21          1HG2      ILE  21   1.233  -6.590  -3.568
  159   2HG2  ILE  21          2HG2      ILE  21   0.768  -8.179  -4.179
  160   3HG2  ILE  21          3HG2      ILE  21   2.372  -7.935  -3.487
  161   1HD1  ILE  21          1HD1      ILE  21   1.742  -5.414  -1.906
  162   2HD1  ILE  21          2HD1      ILE  21   2.048  -5.385  -0.171
  163   3HD1  ILE  21          3HD1      ILE  21   0.399  -5.564  -0.771
  164    H    GLN  22           H        GLN  22  -2.751  -6.941  -3.207
  165    HA   GLN  22           HA       GLN  22  -3.532  -9.561  -4.114
  166   1HB   GLN  22          2HB       GLN  22  -4.743  -6.837  -4.630
  167   2HB   GLN  22          1HB       GLN  22  -5.474  -8.372  -5.082
  168   1HG   GLN  22          2HG       GLN  22  -5.647  -9.012  -2.757
  169   2HG   GLN  22          1HG       GLN  22  -4.828  -7.531  -2.266
  170   1HE2  GLN  22          1HE2      GLN  22  -7.472  -8.546  -1.574
  171   2HE2  GLN  22          2HE2      GLN  22  -8.599  -7.324  -2.046
  172    H    ASP  23           H        ASP  23  -2.070  -6.684  -5.458
  173    HA   ASP  23           HA       ASP  23  -1.685  -8.163  -7.975
  174   1HB   ASP  23          2HB       ASP  23  -2.516  -5.298  -7.604
  175   2HB   ASP  23          1HB       ASP  23  -1.680  -5.821  -9.062
  176    H    ILE  24           H        ILE  24   0.113  -7.144  -9.287
  177    HA   ILE  24           HA       ILE  24   2.124  -5.757  -7.729
  178    HB   ILE  24           HB       ILE  24   2.404  -8.372  -7.570
  179   1HG1  ILE  24          2HG1      ILE  24   4.803  -6.759  -8.440
  180   2HG1  ILE  24          1HG1      ILE  24   4.036  -6.561  -6.868
  181   1HG2  ILE  24          1HG2      ILE  24   3.666  -7.850 -10.259
  182   2HG2  ILE  24          2HG2      ILE  24   2.187  -8.775  -9.988
  183   3HG2  ILE  24          3HG2      ILE  24   3.724  -9.359  -9.347
  184   1HD1  ILE  24          1HD1      ILE  24   6.001  -7.999  -6.752
  185   2HD1  ILE  24          2HD1      ILE  24   5.262  -9.108  -7.908
  186   3HD1  ILE  24          3HD1      ILE  24   4.534  -8.875  -6.315
  187    H    ALA  25           H        ALA  25   3.664  -4.713  -9.103
  188    HA   ALA  25           HA       ALA  25   2.582  -4.366 -11.795
  189   1HB   ALA  25          1HB       ALA  25   4.561  -2.652 -10.306
  190   2HB   ALA  25          2HB       ALA  25   2.820  -2.377 -10.391
  191   3HB   ALA  25          3HB       ALA  25   3.801  -2.277 -11.854
  192    H    ARG  26           H        ARG  26   4.505  -3.639 -13.385
  193    HA   ARG  26           HA       ARG  26   5.708  -6.170 -13.901
  194   1HB   ARG  26          2HB       ARG  26   5.452  -3.593 -15.326
  195   2HB   ARG  26          1HB       ARG  26   6.798  -4.623 -15.803
  196   1HG   ARG  26          2HG       ARG  26   5.359  -6.381 -16.430
  197   2HG   ARG  26          1HG       ARG  26   3.975  -5.633 -15.633
  198   1HD   ARG  26          2HD       ARG  26   5.403  -4.279 -17.898
  199   2HD   ARG  26          1HD       ARG  26   4.136  -5.472 -18.189
  200    HE   ARG  26           HE       ARG  26   2.816  -3.889 -16.585
  201   1HH1  ARG  26          1HH1      ARG  26   5.049  -2.968 -19.138
  202   2HH1  ARG  26          2HH1      ARG  26   4.256  -1.446 -19.444
  203   1HH2  ARG  26          1HH2      ARG  26   1.767  -1.905 -17.013
  204   2HH2  ARG  26          2HH2      ARG  26   2.391  -0.855 -18.253
  205    H    GLN  27           H        GLN  27   6.908  -3.294 -12.359
  206    HA   GLN  27           HA       GLN  27   9.664  -4.047 -12.785
  207   1HB   GLN  27          2HB       GLN  27  10.309  -2.134 -11.603
  208   2HB   GLN  27          1HB       GLN  27   8.845  -1.645 -12.435
  209   1HG   GLN  27          2HG       GLN  27   8.970  -2.493  -9.554
  210   2HG   GLN  27          1HG       GLN  27   9.009  -0.823 -10.117
  211   1HE2  GLN  27          1HE2      GLN  27   7.151   0.095 -10.966
  212   2HE2  GLN  27          2HE2      GLN  27   5.591  -0.604 -10.715
  213    H    GLY  28           H        GLY  28   7.165  -4.862 -10.622
  214   1HA   GLY  28          2HA       GLY  28   7.377  -6.927  -9.429
  215   2HA   GLY  28          1HA       GLY  28   9.075  -6.573  -9.182
  216    H    ASP  29           H        ASP  29   6.900  -3.954  -8.681
  217    HA   ASP  29           HA       ASP  29   7.230  -4.272  -5.784
  218   1HB   ASP  29          2HB       ASP  29   6.552  -1.869  -7.479
  219   2HB   ASP  29          1HB       ASP  29   6.383  -1.862  -5.726
  220    H    GLY  30           H        GLY  30   5.467  -4.109  -4.374
  221   1HA   GLY  30          2HA       GLY  30   3.253  -5.606  -5.405
  222   2HA   GLY  30          1HA       GLY  30   3.496  -5.116  -3.736
  223    H    ILE  31           H        ILE  31   1.173  -5.059  -5.654
  224    HA   ILE  31           HA       ILE  31   0.533  -2.195  -5.471
  225    HB   ILE  31           HB       ILE  31  -0.751  -4.347  -7.162
  226   1HG1  ILE  31          2HG1      ILE  31   1.430  -3.697  -8.018
  227   2HG1  ILE  31          1HG1      ILE  31   0.170  -3.048  -9.063
  228   1HG2  ILE  31          1HG2      ILE  31  -2.066  -2.550  -8.168
  229   2HG2  ILE  31          2HG2      ILE  31  -1.363  -1.398  -7.033
  230   3HG2  ILE  31          3HG2      ILE  31  -2.397  -2.699  -6.442
  231   1HD1  ILE  31          1HD1      ILE  31   0.428  -0.861  -8.003
  232   2HD1  ILE  31          2HD1      ILE  31   1.936  -1.428  -8.720
  233   3HD1  ILE  31          3HD1      ILE  31   1.701  -1.515  -6.973
  234    H    ALA  32           H        ALA  32  -0.334  -1.883  -3.525
  235    HA   ALA  32           HA       ALA  32  -2.409  -3.708  -2.552
  236   1HB   ALA  32          1HB       ALA  32  -0.674  -3.072  -0.955
  237   2HB   ALA  32          2HB       ALA  32  -2.246  -2.451  -0.449
  238   3HB   ALA  32          3HB       ALA  32  -1.066  -1.368  -1.192
  239    H    ARG  33           H        ARG  33  -4.222  -3.249  -3.696
  240    HA   ARG  33           HA       ARG  33  -4.926  -0.450  -4.109
  241   1HB   ARG  33          2HB       ARG  33  -6.715  -1.452  -5.618
  242   2HB   ARG  33          1HB       ARG  33  -5.045  -1.641  -6.132
  243   1HG   ARG  33          2HG       ARG  33  -5.036  -3.937  -5.334
  244   2HG   ARG  33          1HG       ARG  33  -6.688  -3.753  -4.741
  245   1HD   ARG  33          2HD       ARG  33  -7.464  -3.350  -7.025
  246   2HD   ARG  33          1HD       ARG  33  -5.811  -3.517  -7.620
  247    HE   ARG  33           HE       ARG  33  -5.891  -5.835  -7.134
  248   1HH1  ARG  33          1HH1      ARG  33  -8.943  -4.171  -6.700
  249   2HH1  ARG  33          2HH1      ARG  33  -9.886  -5.630  -6.690
  250   1HH2  ARG  33          1HH2      ARG  33  -7.131  -7.762  -7.130
  251   2HH2  ARG  33          2HH2      ARG  33  -8.858  -7.677  -6.916
  252    H    ILE  34           H        ILE  34  -5.735   0.225  -2.183
  253    HA   ILE  34           HA       ILE  34  -7.858  -1.279  -0.887
  254    HB   ILE  34           HB       ILE  34  -6.598   1.375  -0.182
  255   1HG1  ILE  34          2HG1      ILE  34  -6.377  -1.379   1.050
  256   2HG1  ILE  34          1HG1      ILE  34  -5.120  -0.530   0.157
  257   1HG2  ILE  34          1HG2      ILE  34  -7.833   1.216   1.933
  258   2HG2  ILE  34          2HG2      ILE  34  -8.669  -0.216   1.331
  259   3HG2  ILE  34          3HG2      ILE  34  -8.919   1.346   0.548
  260   1HD1  ILE  34          1HD1      ILE  34  -6.314   0.396   2.751
  261   2HD1  ILE  34          2HD1      ILE  34  -4.968   1.139   1.884
  262   3HD1  ILE  34          3HD1      ILE  34  -4.785  -0.469   2.588
  263    H    GLU  35           H        GLU  35  -9.812  -1.144  -1.558
  264    HA   GLU  35           HA       GLU  35 -11.704  -0.492  -2.635
  265   1HB   GLU  35          2HB       GLU  35 -10.857   2.138  -1.425
  266   2HB   GLU  35          1HB       GLU  35 -12.413   1.887  -2.207
  267   1HG   GLU  35          2HG       GLU  35 -11.376   0.486   0.245
  268   2HG   GLU  35          1HG       GLU  35 -12.675   1.678   0.165
  269    H    GLY  36           H        GLY  36  -9.116  -0.328  -4.109
  270   1HA   GLY  36          2HA       GLY  36  -9.035  -0.082  -6.485
  271   2HA   GLY  36          1HA       GLY  36 -10.149   1.273  -6.349
  272    H    PHE  37           H        PHE  37  -8.380   2.125  -3.951
  273    HA   PHE  37           HA       PHE  37  -6.753   3.923  -5.497
  274   1HB   PHE  37          2HB       PHE  37  -7.895   4.551  -3.349
  275   2HB   PHE  37          1HB       PHE  37  -6.753   3.517  -2.498
  276    HD1  PHE  37           HD1      PHE  37  -6.593   6.180  -5.103
  277    HD2  PHE  37           HD2      PHE  37  -5.051   4.633  -1.458
  278    HE1  PHE  37           HE1      PHE  37  -5.026   8.068  -4.975
  279    HE2  PHE  37           HE2      PHE  37  -3.475   6.518  -1.322
  280    HZ   PHE  37           HZ       PHE  37  -3.461   8.240  -3.084
  281    H    VAL  38           H        VAL  38  -4.738   3.592  -6.137
  282    HA   VAL  38           HA       VAL  38  -3.508   1.062  -5.495
  283    HB   VAL  38           HB       VAL  38  -2.594   3.232  -7.386
  284   1HG1  VAL  38          1HG1      VAL  38  -0.750   1.797  -6.695
  285   2HG1  VAL  38          2HG1      VAL  38  -1.175   1.504  -8.381
  286   3HG1  VAL  38          3HG1      VAL  38  -1.685   0.367  -7.133
  287   1HG2  VAL  38          1HG2      VAL  38  -3.487   1.766  -9.148
  288   2HG2  VAL  38          2HG2      VAL  38  -4.742   2.335  -8.050
  289   3HG2  VAL  38          3HG2      VAL  38  -4.129   0.688  -7.908
  290    H    ILE  39           H        ILE  39  -2.112   0.780  -3.930
  291    HA   ILE  39           HA       ILE  39  -0.306   2.985  -3.181
  292    HB   ILE  39           HB       ILE  39  -1.105   0.619  -1.472
  293   1HG1  ILE  39          2HG1      ILE  39  -2.072   3.479  -1.272
  294   2HG1  ILE  39          1HG1      ILE  39  -3.013   2.157  -1.952
  295   1HG2  ILE  39          1HG2      ILE  39   1.066   1.538  -0.909
  296   2HG2  ILE  39          2HG2      ILE  39  -0.103   1.940   0.351
  297   3HG2  ILE  39          3HG2      ILE  39   0.382   3.162  -0.825
  298   1HD1  ILE  39          1HD1      ILE  39  -3.003   1.031   0.198
  299   2HD1  ILE  39          2HD1      ILE  39  -3.672   2.657   0.334
  300   3HD1  ILE  39          3HD1      ILE  39  -2.026   2.329   0.883
  301    H    PHE  40           H        PHE  40   1.801   2.653  -3.584
  302    HA   PHE  40           HA       PHE  40   2.631   0.043  -4.588
  303   1HB   PHE  40          2HB       PHE  40   3.912   2.768  -4.629
  304   2HB   PHE  40          1HB       PHE  40   4.800   1.319  -5.079
  305    HD1  PHE  40           HD1      PHE  40   1.822   3.351  -5.925
  306    HD2  PHE  40           HD2      PHE  40   4.619   0.419  -7.222
  307    HE1  PHE  40           HE1      PHE  40   0.942   3.533  -8.215
  308    HE2  PHE  40           HE2      PHE  40   3.744   0.595  -9.517
  309    HZ   PHE  40           HZ       PHE  40   1.904   2.151 -10.014
  310    H    VAL  41           H        VAL  41   3.662  -1.383  -3.411
  311    HA   VAL  41           HA       VAL  41   5.201  -0.448  -1.072
  312    HB   VAL  41           HB       VAL  41   3.975  -3.196  -1.339
  313   1HG1  VAL  41          1HG1      VAL  41   4.389  -3.308   1.073
  314   2HG1  VAL  41          2HG1      VAL  41   5.112  -1.700   1.018
  315   3HG1  VAL  41          3HG1      VAL  41   5.879  -3.042   0.167
  316   1HG2  VAL  41          1HG2      VAL  41   2.874  -0.808   0.142
  317   2HG2  VAL  41          2HG2      VAL  41   2.240  -2.453   0.229
  318   3HG2  VAL  41          3HG2      VAL  41   2.169  -1.558  -1.290
  319    HA   PRO  42           HA       PRO  42   8.416  -1.903  -3.781
  320   1HB   PRO  42          2HB       PRO  42  10.509  -1.210  -2.190
  321   2HB   PRO  42          1HB       PRO  42   9.604  -0.049  -3.166
  322   1HG   PRO  42          2HG       PRO  42   9.360  -0.670  -0.250
  323   2HG   PRO  42          1HG       PRO  42   9.335   0.904  -1.066
  324   1HD   PRO  42          2HD       PRO  42   7.080  -0.346  -0.241
  325   2HD   PRO  42          1HD       PRO  42   7.124   0.695  -1.677
  326    H    GLY  43           H        GLY  43   8.575  -4.065  -3.947
  327   1HA   GLY  43          2HA       GLY  43  10.103  -5.853  -3.626
  328   2HA   GLY  43          1HA       GLY  43  10.337  -5.328  -1.974
  329    H    THR  44           H        THR  44   7.040  -5.358  -2.488
  330    HA   THR  44           HA       THR  44   6.869  -7.845  -0.990
  331    HB   THR  44           HB       THR  44   4.400  -7.227  -0.875
  332    HG1  THR  44           HG1      THR  44   4.592  -5.717  -2.692
  333   1HG2  THR  44          1HG2      THR  44   5.948  -6.873   0.978
  334   2HG2  THR  44          2HG2      THR  44   4.797  -5.541   0.866
  335   3HG2  THR  44          3HG2      THR  44   6.447  -5.332   0.281
  336    H    LYS  45           H        LYS  45   5.921  -9.687  -1.631
  337    HA   LYS  45           HA       LYS  45   5.415 -10.024  -4.483
  338   1HB   LYS  45          2HB       LYS  45   6.946 -11.558  -3.346
  339   2HB   LYS  45          1HB       LYS  45   5.686 -12.006  -2.211
  340   1HG   LYS  45          2HG       LYS  45   4.734 -12.468  -4.848
  341   2HG   LYS  45          1HG       LYS  45   6.337 -13.189  -4.680
  342   1HD   LYS  45          2HD       LYS  45   5.557 -14.289  -2.588
  343   2HD   LYS  45          1HD       LYS  45   3.937 -13.669  -2.915
  344   1HE   LYS  45          2HE       LYS  45   4.072 -15.939  -3.683
  345   2HE   LYS  45          1HE       LYS  45   3.969 -14.871  -5.082
  346   1HZ   LYS  45          1HZ       LYS  45   5.624 -16.552  -5.457
  347   2HZ   LYS  45          2HZ       LYS  45   6.425 -16.157  -4.015
  348   3HZ   LYS  45          3HZ       LYS  45   6.399 -15.050  -5.303
  349    H    VAL  46           H        VAL  46   3.533 -11.180  -5.259
  350    HA   VAL  46           HA       VAL  46   1.100 -10.263  -4.153
  351    HB   VAL  46           HB       VAL  46   1.549 -12.457  -6.191
  352   1HG1  VAL  46          1HG1      VAL  46  -0.770 -12.091  -6.850
  353   2HG1  VAL  46          2HG1      VAL  46  -0.962 -10.907  -5.558
  354   3HG1  VAL  46          3HG1      VAL  46  -0.671 -12.602  -5.164
  355   1HG2  VAL  46          1HG2      VAL  46   1.045 -10.726  -7.844
  356   2HG2  VAL  46          2HG2      VAL  46   2.467 -10.310  -6.888
  357   3HG2  VAL  46          3HG2      VAL  46   0.921  -9.530  -6.554
  358    H    GLY  47           H        GLY  47  -0.204 -11.090  -2.668
  359   1HA   GLY  47          2HA       GLY  47  -1.324 -12.947  -1.636
  360   2HA   GLY  47          1HA       GLY  47   0.115 -13.919  -1.915
  361    H    ASP  48           H        ASP  48   1.677 -11.419  -1.004
  362    HA   ASP  48           HA       ASP  48   1.962 -12.221   1.714
  363   1HB   ASP  48          2HB       ASP  48   3.172 -10.117  -0.024
  364   2HB   ASP  48          1HB       ASP  48   3.323  -9.940   1.720
  365    H    GLU  49           H        GLU  49   0.548 -11.760   3.246
  366    HA   GLU  49           HA       GLU  49  -0.902  -9.217   3.128
  367   1HB   GLU  49          2HB       GLU  49  -1.298 -11.601   4.951
  368   2HB   GLU  49          1HB       GLU  49  -2.292 -10.148   4.943
  369   1HG   GLU  49          2HG       GLU  49  -2.803 -10.653   2.535
  370   2HG   GLU  49          1HG       GLU  49  -2.028 -12.215   2.784
  371    H    VAL  50           H        VAL  50   0.381  -7.675   3.854
  372    HA   VAL  50           HA       VAL  50   1.764  -8.078   6.419
  373    HB   VAL  50           HB       VAL  50   3.632  -6.677   5.526
  374   1HG1  VAL  50          1HG1      VAL  50   3.110  -9.266   4.069
  375   2HG1  VAL  50          2HG1      VAL  50   3.873  -9.089   5.649
  376   3HG1  VAL  50          3HG1      VAL  50   4.676  -8.468   4.208
  377   1HG2  VAL  50          1HG2      VAL  50   2.444  -5.595   3.697
  378   2HG2  VAL  50          2HG2      VAL  50   2.266  -7.147   2.876
  379   3HG2  VAL  50          3HG2      VAL  50   3.869  -6.443   3.098
  380    H    ARG  51           H        ARG  51   2.469  -5.964   7.378
  381    HA   ARG  51           HA       ARG  51   0.286  -4.030   7.040
  382   1HB   ARG  51          2HB       ARG  51   2.278  -4.349   9.296
  383   2HB   ARG  51          1HB       ARG  51   0.942  -3.202   9.258
  384   1HG   ARG  51          2HG       ARG  51  -0.662  -4.970   9.271
  385   2HG   ARG  51          1HG       ARG  51   0.607  -6.181   9.095
  386   1HD   ARG  51          2HD       ARG  51   1.526  -5.399  11.287
  387   2HD   ARG  51          1HD       ARG  51   0.082  -4.399  11.459
  388    HE   ARG  51           HE       ARG  51  -1.170  -6.594  11.212
  389   1HH1  ARG  51          1HH1      ARG  51   2.037  -6.359  12.593
  390   2HH1  ARG  51          2HH1      ARG  51   1.859  -7.772  13.589
  391   1HH2  ARG  51          1HH2      ARG  51  -1.407  -8.481  12.517
  392   2HH2  ARG  51          2HH2      ARG  51  -0.095  -8.977  13.544
  393    H    ILE  52           H        ILE  52   0.657  -2.242   5.985
  394    HA   ILE  52           HA       ILE  52   3.448  -1.351   5.666
  395    HB   ILE  52           HB       ILE  52   2.784  -0.291   3.568
  396   1HG1  ILE  52          2HG1      ILE  52   0.085  -1.600   3.982
  397   2HG1  ILE  52          1HG1      ILE  52   0.408   0.117   4.200
  398   1HG2  ILE  52          1HG2      ILE  52   2.031  -3.202   3.724
  399   2HG2  ILE  52          2HG2      ILE  52   3.651  -2.547   3.483
  400   3HG2  ILE  52          3HG2      ILE  52   2.417  -2.327   2.241
  401   1HD1  ILE  52          1HD1      ILE  52   0.714  -1.404   1.619
  402   2HD1  ILE  52          2HD1      ILE  52   0.974   0.325   1.854
  403   3HD1  ILE  52          3HD1      ILE  52  -0.639  -0.358   2.050
  404    H    LYS  53           H        LYS  53   3.946   0.782   6.003
  405    HA   LYS  53           HA       LYS  53   1.811   2.406   7.184
  406   1HB   LYS  53          2HB       LYS  53   4.009   2.115   8.409
  407   2HB   LYS  53          1HB       LYS  53   4.767   3.036   7.116
  408   1HG   LYS  53          2HG       LYS  53   3.255   4.925   7.626
  409   2HG   LYS  53          1HG       LYS  53   2.618   4.003   8.989
  410   1HD   LYS  53          2HD       LYS  53   4.994   3.856   9.833
  411   2HD   LYS  53          1HD       LYS  53   5.413   5.039   8.594
  412   1HE   LYS  53          2HE       LYS  53   5.030   6.128  10.731
  413   2HE   LYS  53          1HE       LYS  53   3.812   6.614   9.553
  414   1HZ   LYS  53          1HZ       LYS  53   2.927   6.096  11.803
  415   2HZ   LYS  53          2HZ       LYS  53   3.391   4.483  11.578
  416   3HZ   LYS  53          3HZ       LYS  53   2.228   5.183  10.564
  417    H    VAL  54           H        VAL  54   0.730   3.517   5.700
  418    HA   VAL  54           HA       VAL  54   1.839   4.357   3.214
  419    HB   VAL  54           HB       VAL  54  -0.655   5.370   4.603
  420   1HG1  VAL  54          1HG1      VAL  54  -1.366   6.061   2.364
  421   2HG1  VAL  54          2HG1      VAL  54   0.189   5.544   1.712
  422   3HG1  VAL  54          3HG1      VAL  54   0.115   6.883   2.858
  423   1HG2  VAL  54          1HG2      VAL  54  -0.314   3.177   2.567
  424   2HG2  VAL  54          2HG2      VAL  54  -1.855   3.793   3.159
  425   3HG2  VAL  54          3HG2      VAL  54  -0.753   2.970   4.262
  426    H    GLU  55           H        GLU  55   3.528   5.651   3.348
  427    HA   GLU  55           HA       GLU  55   3.748   7.612   5.463
  428   1HB   GLU  55          2HB       GLU  55   6.043   7.941   4.406
  429   2HB   GLU  55          1HB       GLU  55   5.714   6.360   5.101
  430   1HG   GLU  55          2HG       GLU  55   5.287   5.441   2.917
  431   2HG   GLU  55          1HG       GLU  55   5.474   7.029   2.179
  432    H    ARG  56           H        ARG  56   3.285   7.515   1.993
  433    HA   ARG  56           HA       ARG  56   2.922  10.418   1.992
  434   1HB   ARG  56          2HB       ARG  56   4.863   8.910   0.241
  435   2HB   ARG  56          1HB       ARG  56   4.256  10.506  -0.177
  436   1HG   ARG  56          2HG       ARG  56   5.262  11.475   1.762
  437   2HG   ARG  56          1HG       ARG  56   5.703   9.887   2.389
  438   1HD   ARG  56          2HD       ARG  56   6.705  10.953  -0.236
  439   2HD   ARG  56          1HD       ARG  56   7.556  11.204   1.287
  440    HE   ARG  56           HE       ARG  56   7.339   8.570   1.329
  441   1HH1  ARG  56          1HH1      ARG  56   8.240  10.672  -1.342
  442   2HH1  ARG  56          2HH1      ARG  56   9.217   9.455  -2.109
  443   1HH2  ARG  56          1HH2      ARG  56   8.633   7.013   0.338
  444   2HH2  ARG  56          2HH2      ARG  56   9.446   7.381  -1.165
  445    H    VAL  57           H        VAL  57   1.410  11.124   0.583
  446    HA   VAL  57           HA       VAL  57   0.192   9.116  -1.181
  447    HB   VAL  57           HB       VAL  57  -2.009  10.278  -0.786
  448   1HG1  VAL  57          1HG1      VAL  57  -1.494   8.133   0.255
  449   2HG1  VAL  57          2HG1      VAL  57  -2.451   9.141   1.340
  450   3HG1  VAL  57          3HG1      VAL  57  -0.718   8.962   1.604
  451   1HG2  VAL  57          1HG2      VAL  57  -0.547  11.491   1.557
  452   2HG2  VAL  57          2HG2      VAL  57  -2.280  11.598   1.245
  453   3HG2  VAL  57          3HG2      VAL  57  -1.135  12.369   0.146
  454    H    LEU  58           H        LEU  58   0.470   9.650  -3.207
  455    HA   LEU  58           HA       LEU  58   0.741  12.468  -3.954
  456   1HB   LEU  58          2HB       LEU  58   1.322   9.921  -5.477
  457   2HB   LEU  58          1HB       LEU  58   1.453  11.520  -6.175
  458    HG   LEU  58           HG       LEU  58   3.650  10.855  -5.639
  459   1HD1  LEU  58          1HD1      LEU  58   2.688  12.658  -3.429
  460   2HD1  LEU  58          2HD1      LEU  58   3.163  13.156  -5.053
  461   3HD1  LEU  58          3HD1      LEU  58   4.361  12.467  -3.956
  462   1HD2  LEU  58          1HD2      LEU  58   3.158   8.998  -4.161
  463   2HD2  LEU  58          2HD2      LEU  58   2.652  10.113  -2.890
  464   3HD2  LEU  58          3HD2      LEU  58   4.337  10.079  -3.415
  465    HA   PRO  59           HA       PRO  59  -3.285  12.775  -5.653
  466   1HB   PRO  59          2HB       PRO  59  -2.819  14.029  -8.057
  467   2HB   PRO  59          1HB       PRO  59  -2.869  14.846  -6.493
  468   1HG   PRO  59          2HG       PRO  59  -0.509  13.930  -8.078
  469   2HG   PRO  59          1HG       PRO  59  -0.729  15.428  -7.157
  470   1HD   PRO  59          2HD       PRO  59   0.716  13.377  -6.193
  471   2HD   PRO  59          1HD       PRO  59  -0.280  14.395  -5.131
  472    H    LYS  60           H        LYS  60  -0.951  10.878  -7.177
  473    HA   LYS  60           HA       LYS  60  -2.909   9.814  -9.093
  474   1HB   LYS  60          2HB       LYS  60  -0.825  10.699 -10.085
  475   2HB   LYS  60          1HB       LYS  60   0.104   9.563  -9.117
  476   1HG   LYS  60          2HG       LYS  60  -0.898   7.698 -10.278
  477   2HG   LYS  60          1HG       LYS  60  -1.931   8.791 -11.197
  478   1HD   LYS  60          2HD       LYS  60   1.078   8.908 -11.284
  479   2HD   LYS  60          1HD       LYS  60   0.122   7.924 -12.392
  480   1HE   LYS  60          2HE       LYS  60   0.561   9.934 -13.540
  481   2HE   LYS  60          1HE       LYS  60  -1.111  10.051 -13.003
  482   1HZ   LYS  60          1HZ       LYS  60   1.235  11.330 -11.696
  483   2HZ   LYS  60          2HZ       LYS  60  -0.366  11.435 -11.150
  484   3HZ   LYS  60          3HZ       LYS  60   0.062  12.116 -12.637
  485    H    PHE  61           H        PHE  61  -0.836   9.047  -6.388
  486    HA   PHE  61           HA       PHE  61  -2.091   6.574  -5.862
  487   1HB   PHE  61          2HB       PHE  61  -0.203   5.049  -6.302
  488   2HB   PHE  61          1HB       PHE  61  -0.807   5.775  -7.784
  489    HD1  PHE  61           HD1      PHE  61   1.968   5.728  -5.374
  490    HD2  PHE  61           HD2      PHE  61   0.563   7.234  -9.099
  491    HE1  PHE  61           HE1      PHE  61   4.249   6.470  -5.934
  492    HE2  PHE  61           HE2      PHE  61   2.835   7.978  -9.661
  493    HZ   PHE  61           HZ       PHE  61   4.683   7.595  -8.080
  494    H    ALA  62           H        ALA  62  -0.902   5.369  -4.073
  495    HA   ALA  62           HA       ALA  62   0.475   7.359  -2.391
  496   1HB   ALA  62          1HB       ALA  62  -0.329   6.093  -0.459
  497   2HB   ALA  62          2HB       ALA  62  -1.142   4.964  -1.540
  498   3HB   ALA  62          3HB       ALA  62  -1.660   6.647  -1.473
  499    H    PHE  63           H        PHE  63   2.171   6.612  -1.001
  500    HA   PHE  63           HA       PHE  63   3.464   4.127  -1.923
  501   1HB   PHE  63          2HB       PHE  63   4.595   6.257  -2.710
  502   2HB   PHE  63          1HB       PHE  63   4.920   6.620  -1.020
  503    HD1  PHE  63           HD1      PHE  63   5.655   4.313  -3.783
  504    HD2  PHE  63           HD2      PHE  63   6.659   5.519   0.173
  505    HE1  PHE  63           HE1      PHE  63   7.709   2.971  -3.903
  506    HE2  PHE  63           HE2      PHE  63   8.721   4.177   0.061
  507    HZ   PHE  63           HZ       PHE  63   9.247   2.902  -1.982
  508    H    ALA  64           H        ALA  64   4.216   2.787  -0.335
  509    HA   ALA  64           HA       ALA  64   4.079   3.748   2.433
  510   1HB   ALA  64          1HB       ALA  64   2.709   1.242   1.466
  511   2HB   ALA  64          2HB       ALA  64   1.901   2.747   1.906
  512   3HB   ALA  64          3HB       ALA  64   2.774   1.825   3.129
  513    H    SER  65           H        SER  65   5.375   2.669   3.877
  514    HA   SER  65           HA       SER  65   7.268   0.749   2.716
  515   1HB   SER  65          2HB       SER  65   8.472   1.366   5.003
  516   2HB   SER  65          1HB       SER  65   8.612   2.411   3.588
  517    HG   SER  65           HG       SER  65   7.406   3.887   4.528
  518    H    VAL  66           H        VAL  66   7.317  -1.303   3.444
  519    HA   VAL  66           HA       VAL  66   5.147  -2.143   5.130
  520    HB   VAL  66           HB       VAL  66   5.726  -3.500   3.197
  521   1HG1  VAL  66          1HG1      VAL  66   8.369  -3.983   4.562
  522   2HG1  VAL  66          2HG1      VAL  66   8.111  -3.068   3.079
  523   3HG1  VAL  66          3HG1      VAL  66   7.802  -4.803   3.108
  524   1HG2  VAL  66          1HG2      VAL  66   6.309  -4.938   5.782
  525   2HG2  VAL  66          2HG2      VAL  66   5.827  -5.699   4.266
  526   3HG2  VAL  66          3HG2      VAL  66   4.714  -4.618   5.104
  527    H    VAL  67           H        VAL  67   5.182  -2.626   7.223
  528    HA   VAL  67           HA       VAL  67   7.787  -2.564   8.599
  529    HB   VAL  67           HB       VAL  67   6.539  -1.990  10.651
  530   1HG1  VAL  67          1HG1      VAL  67   7.444  -0.208   9.247
  531   2HG1  VAL  67          2HG1      VAL  67   5.953   0.296  10.042
  532   3HG1  VAL  67          3HG1      VAL  67   5.935  -0.154   8.337
  533   1HG2  VAL  67          1HG2      VAL  67   4.177  -1.350  10.510
  534   2HG2  VAL  67          2HG2      VAL  67   4.418  -3.057  10.139
  535   3HG2  VAL  67          3HG2      VAL  67   4.132  -1.902   8.837
  536    H    GLU  68           H        GLU  68   6.405  -4.788   7.236
  537    HA   GLU  68           HA       GLU  68   6.131  -7.017   7.434
  538   1HB   GLU  68          2HB       GLU  68   7.157  -6.720  10.265
  539   2HB   GLU  68          1HB       GLU  68   7.038  -8.213   9.346
  540   1HG   GLU  68          2HG       GLU  68   8.857  -5.885   8.779
  541   2HG   GLU  68          1HG       GLU  68   9.320  -7.470   9.394
  Start of MODEL    4
    1   1H    MET   1          1HT       MET   1 -20.666   6.136 -10.563
    2   2H    MET   1          2HT       MET   1 -19.208   6.658 -11.252
    3   3H    MET   1          3HT       MET   1 -20.552   7.686 -11.238
    4    HA   MET   1           HA       MET   1 -19.228   6.674  -8.795
    5   1HB   MET   1          2HB       MET   1 -18.902   9.342 -10.187
    6   2HB   MET   1          1HB       MET   1 -18.305   8.974  -8.575
    7   1HG   MET   1          2HG       MET   1 -17.434   7.677 -11.145
    8   2HG   MET   1          1HG       MET   1 -16.520   8.839 -10.188
    9   1HE   MET   1          1HE       MET   1 -14.477   5.555  -9.645
   10   2HE   MET   1          2HE       MET   1 -14.411   7.253 -10.124
   11   3HE   MET   1          3HE       MET   1 -15.276   6.084 -11.124
   12    H    PHE   2           H        PHE   2 -20.905   6.499  -7.444
   13    HA   PHE   2           HA       PHE   2 -23.061   8.451  -7.486
   14   1HB   PHE   2          2HB       PHE   2 -23.483   6.004  -7.142
   15   2HB   PHE   2          1HB       PHE   2 -22.615   6.107  -5.616
   16    HD1  PHE   2           HD1      PHE   2 -25.490   7.665  -7.408
   17    HD2  PHE   2           HD2      PHE   2 -23.811   6.483  -3.677
   18    HE1  PHE   2           HE1      PHE   2 -27.584   8.281  -6.273
   19    HE2  PHE   2           HE2      PHE   2 -25.905   7.097  -2.538
   20    HZ   PHE   2           HZ       PHE   2 -27.793   7.997  -3.835
   21    H    ARG   3           H        ARG   3 -23.719   9.457  -5.376
   22    HA   ARG   3           HA       ARG   3 -23.302  10.858  -3.649
   23   1HB   ARG   3          2HB       ARG   3 -21.453   8.667  -3.214
   24   2HB   ARG   3          1HB       ARG   3 -20.780  10.187  -2.640
   25   1HG   ARG   3          2HG       ARG   3 -22.748  10.558  -1.264
   26   2HG   ARG   3          1HG       ARG   3 -23.461   9.059  -1.863
   27   1HD   ARG   3          2HD       ARG   3 -21.806   7.741  -0.799
   28   2HD   ARG   3          1HD       ARG   3 -20.803   9.152  -0.458
   29    HE   ARG   3           HE       ARG   3 -22.742   9.865   1.020
   30   1HH1  ARG   3          1HH1      ARG   3 -21.941   6.502   0.412
   31   2HH1  ARG   3          2HH1      ARG   3 -22.573   5.948   1.936
   32   1HH2  ARG   3          1HH2      ARG   3 -23.594   9.131   3.001
   33   2HH2  ARG   3          2HH2      ARG   3 -23.554   7.437   3.389
   34    H    GLU   4           H        GLU   4 -20.937  12.052  -2.744
   35    HA   GLU   4           HA       GLU   4 -20.514  13.842  -4.951
   36   1HB   GLU   4          2HB       GLU   4 -19.364  13.869  -2.158
   37   2HB   GLU   4          1HB       GLU   4 -19.196  15.165  -3.338
   38   1HG   GLU   4          2HG       GLU   4 -21.614  15.453  -3.382
   39   2HG   GLU   4          1HG       GLU   4 -21.796  14.154  -2.207
   40    H    GLU   5           H        GLU   5 -19.526  12.429  -6.394
   41    HA   GLU   5           HA       GLU   5 -17.784  11.700  -7.621
   42   1HB   GLU   5          2HB       GLU   5 -16.087  13.286  -5.691
   43   2HB   GLU   5          1HB       GLU   5 -15.567  12.680  -7.259
   44   1HG   GLU   5          2HG       GLU   5 -17.268  14.085  -8.344
   45   2HG   GLU   5          1HG       GLU   5 -17.728  14.718  -6.765
   46    H    SER   6           H        SER   6 -18.628  10.420  -5.019
   47    HA   SER   6           HA       SER   6 -18.226   8.526  -3.846
   48   1HB   SER   6          2HB       SER   6 -16.285   7.922  -6.091
   49   2HB   SER   6          1HB       SER   6 -16.981   6.749  -4.969
   50    HG   SER   6           HG       SER   6 -19.061   7.897  -5.900
   51    H    ARG   7           H        ARG   7 -16.311  10.955  -3.664
   52    HA   ARG   7           HA       ARG   7 -14.552  11.626  -2.401
   53   1HB   ARG   7          2HB       ARG   7 -15.134   8.990  -1.121
   54   2HB   ARG   7          1HB       ARG   7 -13.691   9.882  -0.664
   55   1HG   ARG   7          2HG       ARG   7 -15.266  11.845  -0.222
   56   2HG   ARG   7          1HG       ARG   7 -16.566  10.653  -0.307
   57   1HD   ARG   7          2HD       ARG   7 -15.802  11.039   2.003
   58   2HD   ARG   7          1HD       ARG   7 -15.554   9.372   1.480
   59    HE   ARG   7           HE       ARG   7 -13.180  10.469   0.919
   60   1HH1  ARG   7          1HH1      ARG   7 -15.155  10.620   3.802
   61   2HH1  ARG   7          2HH1      ARG   7 -13.802  10.813   4.876
   62   1HH2  ARG   7          1HH2      ARG   7 -11.392  10.727   2.324
   63   2HH2  ARG   7          2HH2      ARG   7 -11.655  10.888   4.034
   64    H    SER   8           H        SER   8 -13.817   8.178  -2.706
   65    HA   SER   8           HA       SER   8 -11.875   7.084  -3.065
   66   1HB   SER   8          2HB       SER   8 -12.013   8.279  -5.314
   67   2HB   SER   8          1HB       SER   8 -10.924   9.492  -4.643
   68    HG   SER   8           HG       SER   8 -10.433   6.790  -5.253
   69    H    VAL   9           H        VAL   9  -9.243   8.150  -3.218
   70    HA   VAL   9           HA       VAL   9  -7.587   8.303  -1.635
   71    HB   VAL   9           HB       VAL   9  -7.289  10.664  -0.849
   72   1HG1  VAL   9          1HG1      VAL   9  -7.905  10.244  -3.772
   73   2HG1  VAL   9          2HG1      VAL   9  -6.378   9.890  -2.960
   74   3HG1  VAL   9          3HG1      VAL   9  -6.934  11.557  -3.104
   75   1HG2  VAL   9          1HG2      VAL   9  -9.883  11.109  -2.334
   76   2HG2  VAL   9          2HG2      VAL   9  -8.788  12.385  -1.801
   77   3HG2  VAL   9          3HG2      VAL   9  -9.598  11.366  -0.612
   78    HA   PRO  10           HA       PRO  10 -10.005   7.752   2.221
   79   1HB   PRO  10          2HB       PRO  10  -9.748   5.097   2.522
   80   2HB   PRO  10          1HB       PRO  10 -10.951   5.805   1.441
   81   1HG   PRO  10          2HG       PRO  10  -8.410   4.431   0.796
   82   2HG   PRO  10          1HG       PRO  10  -9.897   4.555  -0.156
   83   1HD   PRO  10          2HD       PRO  10  -7.520   6.095  -0.446
   84   2HD   PRO  10          1HD       PRO  10  -9.056   6.309  -1.305
   85    H    VAL  11           H        VAL  11  -6.779   7.299   1.330
   86    HA   VAL  11           HA       VAL  11  -6.000   6.713   4.109
   87    HB   VAL  11           HB       VAL  11  -3.946   5.695   3.289
   88   1HG1  VAL  11          1HG1      VAL  11  -4.883   3.672   2.306
   89   2HG1  VAL  11          2HG1      VAL  11  -6.378   4.534   1.940
   90   3HG1  VAL  11          3HG1      VAL  11  -5.900   4.269   3.617
   91   1HG2  VAL  11          1HG2      VAL  11  -3.641   6.979   1.247
   92   2HG2  VAL  11          2HG2      VAL  11  -5.048   6.196   0.527
   93   3HG2  VAL  11          3HG2      VAL  11  -3.608   5.250   0.900
   94    H    GLU  12           H        GLU  12  -4.034   7.708   4.865
   95    HA   GLU  12           HA       GLU  12  -3.247  10.133   3.393
   96   1HB   GLU  12          2HB       GLU  12  -3.780   9.890   6.362
   97   2HB   GLU  12          1HB       GLU  12  -3.041  11.289   5.598
   98   1HG   GLU  12          2HG       GLU  12  -5.062  11.709   4.341
   99   2HG   GLU  12          1HG       GLU  12  -5.804  10.255   5.007
  100    H    GLU  13           H        GLU  13  -1.087  10.887   3.896
  101    HA   GLU  13           HA       GLU  13   0.793   8.795   4.238
  102   1HB   GLU  13          2HB       GLU  13   2.469  10.679   4.335
  103   2HB   GLU  13          1HB       GLU  13   1.458  10.627   2.899
  104   1HG   GLU  13          2HG       GLU  13   0.004  12.355   3.954
  105   2HG   GLU  13          1HG       GLU  13   1.193  12.475   5.251
  106    H    GLY  14           H        GLY  14   1.697   7.966   5.975
  107   1HA   GLY  14          2HA       GLY  14   2.616   8.034   8.160
  108   2HA   GLY  14          1HA       GLY  14   1.611   9.425   8.516
  109    H    GLU  15           H        GLU  15   0.380   6.581   6.937
  110    HA   GLU  15           HA       GLU  15  -1.175   5.981   9.376
  111   1HB   GLU  15          2HB       GLU  15  -1.949   5.655   6.473
  112   2HB   GLU  15          1HB       GLU  15  -2.890   5.025   7.815
  113   1HG   GLU  15          2HG       GLU  15  -2.247   7.932   7.381
  114   2HG   GLU  15          1HG       GLU  15  -3.755   7.149   6.916
  115    H    VAL  16           H        VAL  16  -1.995   3.617   9.339
  116    HA   VAL  16           HA       VAL  16  -0.049   1.818   8.120
  117    HB   VAL  16           HB       VAL  16   0.914   2.252  10.309
  118   1HG1  VAL  16          1HG1      VAL  16  -1.086   2.966  11.497
  119   2HG1  VAL  16          2HG1      VAL  16  -0.257   1.682  12.381
  120   3HG1  VAL  16          3HG1      VAL  16  -1.712   1.318  11.454
  121   1HG2  VAL  16          1HG2      VAL  16   1.037  -0.038  11.164
  122   2HG2  VAL  16          2HG2      VAL  16   1.141   0.002   9.403
  123   3HG2  VAL  16          3HG2      VAL  16  -0.365  -0.478  10.189
  124    H    TYR  17           H        TYR  17  -1.012   0.116   7.253
  125    HA   TYR  17           HA       TYR  17  -3.607  -0.777   8.313
  126   1HB   TYR  17          2HB       TYR  17  -3.041  -0.368   5.367
  127   2HB   TYR  17          1HB       TYR  17  -4.537  -0.964   6.069
  128    HD1  TYR  17           HD1      TYR  17  -5.989   0.610   7.370
  129    HD2  TYR  17           HD2      TYR  17  -2.601   1.942   5.174
  130    HE1  TYR  17           HE1      TYR  17  -6.879   2.901   7.398
  131    HE2  TYR  17           HE2      TYR  17  -3.476   4.235   5.200
  132    HH   TYR  17           HH       TYR  17  -6.048   5.219   7.189
  133    H    ASP  18           H        ASP  18  -4.053  -2.977   7.969
  134    HA   ASP  18           HA       ASP  18  -1.806  -4.593   7.047
  135   1HB   ASP  18          2HB       ASP  18  -3.067  -6.523   7.864
  136   2HB   ASP  18          1HB       ASP  18  -2.955  -5.295   9.118
  137    H    VAL  19           H        VAL  19  -1.721  -5.475   5.067
  138    HA   VAL  19           HA       VAL  19  -4.165  -5.545   3.447
  139    HB   VAL  19           HB       VAL  19  -2.991  -4.515   1.528
  140   1HG1  VAL  19          1HG1      VAL  19  -4.471  -3.137   2.857
  141   2HG1  VAL  19          2HG1      VAL  19  -3.085  -2.185   2.326
  142   3HG1  VAL  19          3HG1      VAL  19  -3.165  -2.774   3.986
  143   1HG2  VAL  19          1HG2      VAL  19  -0.701  -4.971   2.162
  144   2HG2  VAL  19          2HG2      VAL  19  -0.846  -3.909   3.562
  145   3HG2  VAL  19          3HG2      VAL  19  -0.921  -3.236   1.933
  146    H    THR  20           H        THR  20  -4.103  -6.967   1.696
  147    HA   THR  20           HA       THR  20  -1.773  -8.760   1.592
  148    HB   THR  20           HB       THR  20  -4.537  -9.201   0.437
  149    HG1  THR  20           HG1      THR  20  -4.168  -9.162   2.874
  150   1HG2  THR  20          1HG2      THR  20  -2.729 -10.441  -0.696
  151   2HG2  THR  20          2HG2      THR  20  -3.828 -11.512   0.175
  152   3HG2  THR  20          3HG2      THR  20  -2.248 -11.125   0.858
  153    H    ILE  21           H        ILE  21  -0.415  -8.492  -0.055
  154    HA   ILE  21           HA       ILE  21  -0.875  -6.530  -2.052
  155    HB   ILE  21           HB       ILE  21   1.277  -8.652  -1.934
  156   1HG1  ILE  21          2HG1      ILE  21   1.265  -7.221   0.059
  157   2HG1  ILE  21          1HG1      ILE  21   2.668  -6.879  -0.944
  158   1HG2  ILE  21          1HG2      ILE  21   2.539  -7.159  -3.407
  159   2HG2  ILE  21          2HG2      ILE  21   1.149  -6.079  -3.499
  160   3HG2  ILE  21          3HG2      ILE  21   1.045  -7.710  -4.162
  161   1HD1  ILE  21          1HD1      ILE  21   1.714  -4.837  -0.080
  162   2HD1  ILE  21          2HD1      ILE  21   0.152  -5.237  -0.796
  163   3HD1  ILE  21          3HD1      ILE  21   1.538  -4.898  -1.834
  164    H    GLN  22           H        GLN  22  -2.062  -6.739  -3.807
  165    HA   GLN  22           HA       GLN  22  -3.033  -9.330  -4.607
  166   1HB   GLN  22          2HB       GLN  22  -3.548  -6.620  -5.841
  167   2HB   GLN  22          1HB       GLN  22  -4.469  -8.090  -6.130
  168   1HG   GLN  22          2HG       GLN  22  -4.247  -6.665  -3.488
  169   2HG   GLN  22          1HG       GLN  22  -5.606  -6.546  -4.603
  170   1HE2  GLN  22          1HE2      GLN  22  -5.456  -7.510  -1.821
  171   2HE2  GLN  22          2HE2      GLN  22  -6.095  -9.119  -1.853
  172    H    ASP  23           H        ASP  23  -1.274  -6.690  -6.237
  173    HA   ASP  23           HA       ASP  23  -0.211  -8.690  -8.122
  174   1HB   ASP  23          2HB       ASP  23  -2.068  -7.294  -9.112
  175   2HB   ASP  23          1HB       ASP  23  -1.049  -5.882  -8.881
  176    H    ILE  24           H        ILE  24   1.658  -7.499  -9.443
  177    HA   ILE  24           HA       ILE  24   3.294  -5.899  -7.611
  178    HB   ILE  24           HB       ILE  24   4.234  -8.371  -9.094
  179   1HG1  ILE  24          2HG1      ILE  24   3.050  -8.856  -6.985
  180   2HG1  ILE  24          1HG1      ILE  24   4.756  -9.280  -6.893
  181   1HG2  ILE  24          1HG2      ILE  24   6.443  -7.933  -8.149
  182   2HG2  ILE  24          2HG2      ILE  24   5.848  -6.431  -7.441
  183   3HG2  ILE  24          3HG2      ILE  24   5.919  -6.613  -9.194
  184   1HD1  ILE  24          1HD1      ILE  24   4.033  -8.239  -4.845
  185   2HD1  ILE  24          2HD1      ILE  24   3.457  -6.829  -5.732
  186   3HD1  ILE  24          3HD1      ILE  24   5.181  -7.190  -5.676
  187    H    ALA  25           H        ALA  25   4.528  -4.377  -8.669
  188    HA   ALA  25           HA       ALA  25   3.669  -3.815 -11.365
  189   1HB   ALA  25          1HB       ALA  25   3.782  -2.095  -9.637
  190   2HB   ALA  25          2HB       ALA  25   4.753  -1.689 -11.054
  191   3HB   ALA  25          3HB       ALA  25   5.536  -2.275  -9.585
  192    H    ARG  26           H        ARG  26   5.533  -6.100 -10.874
  193    HA   ARG  26           HA       ARG  26   7.211  -7.149 -11.991
  194   1HB   ARG  26          2HB       ARG  26   6.749  -4.859 -13.881
  195   2HB   ARG  26          1HB       ARG  26   7.827  -6.198 -14.236
  196   1HG   ARG  26          2HG       ARG  26   5.934  -7.754 -14.057
  197   2HG   ARG  26          1HG       ARG  26   4.860  -6.389 -13.742
  198   1HD   ARG  26          2HD       ARG  26   6.508  -6.776 -16.239
  199   2HD   ARG  26          1HD       ARG  26   4.787  -7.127 -16.093
  200    HE   ARG  26           HE       ARG  26   4.572  -4.667 -15.543
  201   1HH1  ARG  26          1HH1      ARG  26   7.128  -5.917 -17.609
  202   2HH1  ARG  26          2HH1      ARG  26   7.302  -4.424 -18.489
  203   1HH2  ARG  26          1HH2      ARG  26   4.815  -2.718 -16.711
  204   2HH2  ARG  26          2HH2      ARG  26   6.000  -2.617 -17.987
  205    H    GLN  27           H        GLN  27   7.991  -5.371  -9.934
  206    HA   GLN  27           HA       GLN  27  10.750  -4.960 -10.617
  207   1HB   GLN  27          2HB       GLN  27   9.663  -2.882 -11.470
  208   2HB   GLN  27          1HB       GLN  27   9.071  -2.559  -9.848
  209   1HG   GLN  27          2HG       GLN  27  11.396  -2.416  -9.054
  210   2HG   GLN  27          1HG       GLN  27  11.955  -2.683 -10.704
  211   1HE2  GLN  27          1HE2      GLN  27  11.696  -1.061 -12.238
  212   2HE2  GLN  27          2HE2      GLN  27  11.348   0.574 -11.786
  213    H    GLY  28           H        GLY  28   8.089  -4.547  -8.378
  214   1HA   GLY  28          2HA       GLY  28   8.874  -6.027  -6.312
  215   2HA   GLY  28          1HA       GLY  28   9.904  -4.621  -6.091
  216    H    ASP  29           H        ASP  29   7.885  -2.767  -7.102
  217    HA   ASP  29           HA       ASP  29   6.514  -2.175  -4.724
  218   1HB   ASP  29          2HB       ASP  29   5.870  -1.250  -7.535
  219   2HB   ASP  29          1HB       ASP  29   5.293  -0.506  -6.048
  220    H    GLY  30           H        GLY  30   4.873  -3.215  -3.864
  221   1HA   GLY  30          2HA       GLY  30   3.283  -5.065  -5.380
  222   2HA   GLY  30          1HA       GLY  30   3.107  -4.687  -3.670
  223    H    ILE  31           H        ILE  31   1.120  -4.976  -5.834
  224    HA   ILE  31           HA       ILE  31  -0.012  -2.267  -5.911
  225    HB   ILE  31           HB       ILE  31  -0.762  -4.708  -7.529
  226   1HG1  ILE  31          2HG1      ILE  31   1.444  -3.853  -8.152
  227   2HG1  ILE  31          1HG1      ILE  31   0.274  -3.516  -9.424
  228   1HG2  ILE  31          1HG2      ILE  31  -2.095  -3.140  -8.878
  229   2HG2  ILE  31          2HG2      ILE  31  -1.719  -1.859  -7.727
  230   3HG2  ILE  31          3HG2      ILE  31  -2.668  -3.253  -7.213
  231   1HD1  ILE  31          1HD1      ILE  31   0.104  -1.211  -8.663
  232   2HD1  ILE  31          2HD1      ILE  31   1.771  -1.637  -9.049
  233   3HD1  ILE  31          3HD1      ILE  31   1.248  -1.550  -7.366
  234    H    ALA  32           H        ALA  32  -1.045  -2.067  -3.989
  235    HA   ALA  32           HA       ALA  32  -3.337  -3.879  -3.597
  236   1HB   ALA  32          1HB       ALA  32  -1.660  -4.277  -1.849
  237   2HB   ALA  32          2HB       ALA  32  -3.135  -3.580  -1.183
  238   3HB   ALA  32          3HB       ALA  32  -1.709  -2.567  -1.415
  239    H    ARG  33           H        ARG  33  -5.111  -2.761  -4.120
  240    HA   ARG  33           HA       ARG  33  -5.087   0.133  -3.607
  241   1HB   ARG  33          2HB       ARG  33  -6.750   0.358  -5.379
  242   2HB   ARG  33          1HB       ARG  33  -5.295  -0.425  -5.975
  243   1HG   ARG  33          2HG       ARG  33  -6.417  -2.600  -5.802
  244   2HG   ARG  33          1HG       ARG  33  -7.881  -1.778  -5.254
  245   1HD   ARG  33          2HD       ARG  33  -7.950  -0.522  -7.356
  246   2HD   ARG  33          1HD       ARG  33  -6.506  -1.368  -7.906
  247    HE   ARG  33           HE       ARG  33  -8.823  -2.999  -7.189
  248   1HH1  ARG  33          1HH1      ARG  33  -6.843  -1.549  -9.686
  249   2HH1  ARG  33          2HH1      ARG  33  -7.451  -2.568 -10.952
  250   1HH2  ARG  33          1HH2      ARG  33  -9.633  -4.352  -8.851
  251   2HH2  ARG  33          2HH2      ARG  33  -9.058  -4.152 -10.481
  252    H    ILE  34           H        ILE  34  -6.648   1.090  -2.468
  253    HA   ILE  34           HA       ILE  34  -8.860  -0.601  -1.521
  254    HB   ILE  34           HB       ILE  34  -7.447   1.578   0.032
  255   1HG1  ILE  34          2HG1      ILE  34  -7.634  -1.410   0.469
  256   2HG1  ILE  34          1HG1      ILE  34  -6.203  -0.532  -0.054
  257   1HG2  ILE  34          1HG2      ILE  34  -9.844   1.604   0.459
  258   2HG2  ILE  34          2HG2      ILE  34  -8.971   0.996   1.866
  259   3HG2  ILE  34          3HG2      ILE  34  -9.818  -0.126   0.798
  260   1HD1  ILE  34          1HD1      ILE  34  -7.587  -0.220   2.594
  261   2HD1  ILE  34          2HD1      ILE  34  -6.138   0.640   2.076
  262   3HD1  ILE  34          3HD1      ILE  34  -6.092  -1.109   2.304
  263    H    GLU  35           H        GLU  35 -10.728   0.051  -2.207
  264    HA   GLU  35           HA       GLU  35 -12.392   1.267  -3.161
  265   1HB   GLU  35          2HB       GLU  35 -11.124   3.560  -1.649
  266   2HB   GLU  35          1HB       GLU  35 -12.745   3.553  -2.332
  267   1HG   GLU  35          2HG       GLU  35 -11.711   1.854  -0.076
  268   2HG   GLU  35          1HG       GLU  35 -12.900   3.151   0.015
  269    H    GLY  36           H        GLY  36  -9.938   0.926  -4.620
  270   1HA   GLY  36          2HA       GLY  36  -9.589   1.532  -6.878
  271   2HA   GLY  36          1HA       GLY  36 -10.324   3.093  -6.553
  272    H    PHE  37           H        PHE  37  -8.707   3.489  -4.128
  273    HA   PHE  37           HA       PHE  37  -6.499   4.766  -5.443
  274   1HB   PHE  37          2HB       PHE  37  -7.863   5.641  -3.437
  275   2HB   PHE  37          1HB       PHE  37  -6.879   4.556  -2.461
  276    HD1  PHE  37           HD1      PHE  37  -6.534   7.240  -5.010
  277    HD2  PHE  37           HD2      PHE  37  -4.902   5.344  -1.571
  278    HE1  PHE  37           HE1      PHE  37  -4.782   8.959  -4.897
  279    HE2  PHE  37           HE2      PHE  37  -3.145   7.062  -1.454
  280    HZ   PHE  37           HZ       PHE  37  -3.085   8.873  -3.118
  281    H    VAL  38           H        VAL  38  -4.749   3.662  -6.005
  282    HA   VAL  38           HA       VAL  38  -4.142   1.138  -4.732
  283    HB   VAL  38           HB       VAL  38  -4.081   1.250  -7.152
  284   1HG1  VAL  38          1HG1      VAL  38  -2.394   2.530  -8.357
  285   2HG1  VAL  38          2HG1      VAL  38  -1.846   3.244  -6.840
  286   3HG1  VAL  38          3HG1      VAL  38  -3.470   3.586  -7.440
  287   1HG2  VAL  38          1HG2      VAL  38  -1.898   0.243  -7.549
  288   2HG2  VAL  38          2HG2      VAL  38  -2.596  -0.336  -6.036
  289   3HG2  VAL  38          3HG2      VAL  38  -1.316   0.879  -6.011
  290    H    ILE  39           H        ILE  39  -2.525   0.712  -3.374
  291    HA   ILE  39           HA       ILE  39  -0.641   2.877  -2.734
  292    HB   ILE  39           HB       ILE  39  -1.308   0.439  -1.074
  293   1HG1  ILE  39          2HG1      ILE  39  -2.275   3.293  -0.762
  294   2HG1  ILE  39          1HG1      ILE  39  -3.259   1.940  -1.306
  295   1HG2  ILE  39          1HG2      ILE  39   0.908   1.340  -0.643
  296   2HG2  ILE  39          2HG2      ILE  39  -0.164   1.659   0.722
  297   3HG2  ILE  39          3HG2      ILE  39   0.225   2.950  -0.414
  298   1HD1  ILE  39          1HD1      ILE  39  -3.689   2.452   1.021
  299   2HD1  ILE  39          2HD1      ILE  39  -1.984   2.219   1.401
  300   3HD1  ILE  39          3HD1      ILE  39  -2.959   0.853   0.860
  301    H    PHE  40           H        PHE  40   1.420   2.630  -3.319
  302    HA   PHE  40           HA       PHE  40   2.302   0.047  -4.350
  303   1HB   PHE  40          2HB       PHE  40   3.456   2.829  -4.487
  304   2HB   PHE  40          1HB       PHE  40   4.374   1.414  -4.986
  305    HD1  PHE  40           HD1      PHE  40   1.187   3.221  -5.625
  306    HD2  PHE  40           HD2      PHE  40   4.174   0.597  -7.139
  307    HE1  PHE  40           HE1      PHE  40   0.163   3.348  -7.859
  308    HE2  PHE  40           HE2      PHE  40   3.157   0.721  -9.375
  309    HZ   PHE  40           HZ       PHE  40   1.149   2.100  -9.737
  310    H    VAL  41           H        VAL  41   3.421  -1.312  -3.145
  311    HA   VAL  41           HA       VAL  41   5.058  -0.225  -0.941
  312    HB   VAL  41           HB       VAL  41   3.648  -2.901  -0.891
  313   1HG1  VAL  41          1HG1      VAL  41   4.288  -2.916   1.470
  314   2HG1  VAL  41          2HG1      VAL  41   5.113  -1.372   1.258
  315   3HG1  VAL  41          3HG1      VAL  41   5.701  -2.809   0.421
  316   1HG2  VAL  41          1HG2      VAL  41   2.889  -0.334   0.504
  317   2HG2  VAL  41          2HG2      VAL  41   2.138  -1.907   0.773
  318   3HG2  VAL  41          3HG2      VAL  41   1.994  -1.118  -0.797
  319    HA   PRO  42           HA       PRO  42   7.894  -2.337  -3.814
  320   1HB   PRO  42          2HB       PRO  42  10.121  -1.027  -2.955
  321   2HB   PRO  42          1HB       PRO  42   8.986  -0.354  -4.132
  322   1HG   PRO  42          2HG       PRO  42   9.207   0.173  -1.195
  323   2HG   PRO  42          1HG       PRO  42   8.927   1.316  -2.523
  324   1HD   PRO  42          2HD       PRO  42   6.929   0.406  -0.935
  325   2HD   PRO  42          1HD       PRO  42   6.680   0.817  -2.644
  326    H    GLY  43           H        GLY  43   8.502  -4.334  -3.345
  327   1HA   GLY  43          2HA       GLY  43  10.270  -5.676  -2.348
  328   2HA   GLY  43          1HA       GLY  43  10.041  -4.762  -0.864
  329    H    THR  44           H        THR  44   7.339  -5.864  -2.761
  330    HA   THR  44           HA       THR  44   6.766  -7.846  -0.666
  331    HB   THR  44           HB       THR  44   4.331  -7.418  -1.278
  332    HG1  THR  44           HG1      THR  44   5.234  -4.886  -2.166
  333   1HG2  THR  44          1HG2      THR  44   4.151  -5.517   0.231
  334   2HG2  THR  44          2HG2      THR  44   5.867  -5.165   0.023
  335   3HG2  THR  44          3HG2      THR  44   5.363  -6.654   0.823
  336    H    LYS  45           H        LYS  45   5.312  -9.598  -1.355
  337    HA   LYS  45           HA       LYS  45   5.769 -10.329  -4.177
  338   1HB   LYS  45          2HB       LYS  45   6.777 -11.680  -2.122
  339   2HB   LYS  45          1HB       LYS  45   5.165 -12.380  -2.089
  340   1HG   LYS  45          2HG       LYS  45   6.570 -13.807  -3.373
  341   2HG   LYS  45          1HG       LYS  45   5.461 -12.994  -4.484
  342   1HD   LYS  45          2HD       LYS  45   7.185 -11.421  -5.115
  343   2HD   LYS  45          1HD       LYS  45   8.287 -12.096  -3.917
  344   1HE   LYS  45          2HE       LYS  45   8.893 -12.935  -6.083
  345   2HE   LYS  45          1HE       LYS  45   8.205 -14.255  -5.139
  346   1HZ   LYS  45          1HZ       LYS  45   7.389 -14.178  -7.442
  347   2HZ   LYS  45          2HZ       LYS  45   6.702 -12.657  -7.140
  348   3HZ   LYS  45          3HZ       LYS  45   6.142 -14.027  -6.307
  349    H    VAL  46           H        VAL  46   4.037 -11.768  -5.089
  350    HA   VAL  46           HA       VAL  46   1.465 -10.684  -4.661
  351    HB   VAL  46           HB       VAL  46   2.202 -13.269  -6.049
  352   1HG1  VAL  46          1HG1      VAL  46  -0.159 -13.193  -5.471
  353   2HG1  VAL  46          2HG1      VAL  46   0.063 -13.014  -7.211
  354   3HG1  VAL  46          3HG1      VAL  46  -0.303 -11.603  -6.221
  355   1HG2  VAL  46          1HG2      VAL  46   1.811 -10.486  -7.145
  356   2HG2  VAL  46          2HG2      VAL  46   2.062 -11.940  -8.113
  357   3HG2  VAL  46          3HG2      VAL  46   3.337 -11.364  -7.038
  358    H    GLY  47           H        GLY  47   0.077 -11.087  -3.083
  359   1HA   GLY  47          2HA       GLY  47  -1.222 -12.470  -1.686
  360   2HA   GLY  47          1HA       GLY  47  -0.050 -13.762  -1.910
  361    H    ASP  48           H        ASP  48   1.600 -10.929  -1.303
  362    HA   ASP  48           HA       ASP  48   2.396 -11.733   1.305
  363   1HB   ASP  48          2HB       ASP  48   3.207  -9.759  -0.607
  364   2HB   ASP  48          1HB       ASP  48   2.989  -8.976   0.955
  365    H    GLU  49           H        GLU  49   0.987 -11.711   2.919
  366    HA   GLU  49           HA       GLU  49  -0.847  -9.461   3.248
  367   1HB   GLU  49          2HB       GLU  49  -1.715 -11.738   3.599
  368   2HB   GLU  49          1HB       GLU  49  -0.523 -12.001   4.862
  369   1HG   GLU  49          2HG       GLU  49  -1.552 -10.161   6.153
  370   2HG   GLU  49          1HG       GLU  49  -2.800 -10.035   4.914
  371    H    VAL  50           H        VAL  50   0.186  -7.720   4.037
  372    HA   VAL  50           HA       VAL  50   1.893  -8.090   6.394
  373    HB   VAL  50           HB       VAL  50   3.518  -6.429   5.452
  374   1HG1  VAL  50          1HG1      VAL  50   3.209  -9.004   3.913
  375   2HG1  VAL  50          2HG1      VAL  50   4.017  -8.812   5.468
  376   3HG1  VAL  50          3HG1      VAL  50   4.683  -8.039   4.029
  377   1HG2  VAL  50          1HG2      VAL  50   3.551  -6.109   3.015
  378   2HG2  VAL  50          2HG2      VAL  50   2.100  -5.431   3.753
  379   3HG2  VAL  50          3HG2      VAL  50   2.015  -6.967   2.891
  380    H    ARG  51           H        ARG  51   2.271  -6.175   7.627
  381    HA   ARG  51           HA       ARG  51   0.162  -4.178   7.417
  382   1HB   ARG  51          2HB       ARG  51   2.226  -4.841   9.503
  383   2HB   ARG  51          1HB       ARG  51   1.333  -3.328   9.560
  384   1HG   ARG  51          2HG       ARG  51  -0.743  -4.480   9.806
  385   2HG   ARG  51          1HG       ARG  51   0.028  -6.039   9.505
  386   1HD   ARG  51          2HD       ARG  51  -0.477  -5.480  11.925
  387   2HD   ARG  51          1HD       ARG  51   1.172  -5.985  11.562
  388    HE   ARG  51           HE       ARG  51   1.787  -3.597  11.629
  389   1HH1  ARG  51          1HH1      ARG  51  -1.162  -4.630  13.230
  390   2HH1  ARG  51          2HH1      ARG  51  -1.128  -3.341  14.394
  391   1HH2  ARG  51          1HH2      ARG  51   1.837  -1.923  13.168
  392   2HH2  ARG  51          2HH2      ARG  51   0.579  -1.800  14.355
  393    H    ILE  52           H        ILE  52   0.475  -2.351   6.363
  394    HA   ILE  52           HA       ILE  52   3.245  -1.612   5.701
  395    HB   ILE  52           HB       ILE  52   2.334  -0.431   3.748
  396   1HG1  ILE  52          2HG1      ILE  52  -0.312  -1.699   4.494
  397   2HG1  ILE  52          1HG1      ILE  52   0.075   0.001   4.721
  398   1HG2  ILE  52          1HG2      ILE  52   1.529  -3.330   3.942
  399   2HG2  ILE  52          2HG2      ILE  52   3.124  -2.712   3.515
  400   3HG2  ILE  52          3HG2      ILE  52   1.752  -2.427   2.443
  401   1HD1  ILE  52          1HD1      ILE  52  -1.251  -0.324   2.729
  402   2HD1  ILE  52          2HD1      ILE  52  -0.049  -1.444   2.088
  403   3HD1  ILE  52          3HD1      ILE  52   0.360   0.258   2.312
  404    H    LYS  53           H        LYS  53   3.998   0.355   6.097
  405    HA   LYS  53           HA       LYS  53   2.264   2.276   7.475
  406   1HB   LYS  53          2HB       LYS  53   4.393   1.674   8.567
  407   2HB   LYS  53          1HB       LYS  53   5.273   2.189   7.138
  408   1HG   LYS  53          2HG       LYS  53   5.483   3.902   8.752
  409   2HG   LYS  53          1HG       LYS  53   4.373   4.490   7.516
  410   1HD   LYS  53          2HD       LYS  53   2.496   4.178   8.915
  411   2HD   LYS  53          1HD       LYS  53   3.420   3.202  10.063
  412   1HE   LYS  53          2HE       LYS  53   4.807   5.239  10.515
  413   2HE   LYS  53          1HE       LYS  53   3.670   6.155   9.530
  414   1HZ   LYS  53          1HZ       LYS  53   3.044   4.683  12.035
  415   2HZ   LYS  53          2HZ       LYS  53   1.898   5.465  11.068
  416   3HZ   LYS  53          3HZ       LYS  53   3.111   6.366  11.840
  417    H    VAL  54           H        VAL  54   1.227   3.514   6.027
  418    HA   VAL  54           HA       VAL  54   2.251   4.101   3.433
  419    HB   VAL  54           HB       VAL  54   0.024   5.495   4.946
  420   1HG1  VAL  54          1HG1      VAL  54   0.672   5.455   1.999
  421   2HG1  VAL  54          2HG1      VAL  54   0.862   6.830   3.087
  422   3HG1  VAL  54          3HG1      VAL  54  -0.748   6.204   2.728
  423   1HG2  VAL  54          1HG2      VAL  54  -0.409   3.111   4.703
  424   2HG2  VAL  54          2HG2      VAL  54  -0.095   3.220   2.970
  425   3HG2  VAL  54          3HG2      VAL  54  -1.484   4.053   3.670
  426    H    GLU  55           H        GLU  55   3.879   5.425   3.056
  427    HA   GLU  55           HA       GLU  55   4.667   7.321   5.114
  428   1HB   GLU  55          2HB       GLU  55   6.071   6.469   2.573
  429   2HB   GLU  55          1HB       GLU  55   6.755   7.510   3.816
  430   1HG   GLU  55          2HG       GLU  55   6.624   5.700   5.431
  431   2HG   GLU  55          1HG       GLU  55   5.895   4.654   4.214
  432    H    ARG  56           H        ARG  56   3.596   7.268   1.763
  433    HA   ARG  56           HA       ARG  56   3.063  10.139   1.948
  434   1HB   ARG  56          2HB       ARG  56   4.701   8.849  -0.229
  435   2HB   ARG  56          1HB       ARG  56   3.922  10.413  -0.422
  436   1HG   ARG  56          2HG       ARG  56   5.214  11.224   1.544
  437   2HG   ARG  56          1HG       ARG  56   6.078   9.683   1.543
  438   1HD   ARG  56          2HD       ARG  56   7.369  11.359   0.368
  439   2HD   ARG  56          1HD       ARG  56   6.818  10.120  -0.757
  440    HE   ARG  56           HE       ARG  56   5.146  12.487  -0.562
  441   1HH1  ARG  56          1HH1      ARG  56   7.647  10.761  -2.301
  442   2HH1  ARG  56          2HH1      ARG  56   7.560  11.783  -3.707
  443   1HH2  ARG  56          1HH2      ARG  56   4.981  13.806  -2.436
  444   2HH2  ARG  56          2HH2      ARG  56   6.036  13.502  -3.792
  445    H    VAL  57           H        VAL  57   1.526  10.909   0.470
  446    HA   VAL  57           HA       VAL  57   0.040   8.853  -1.023
  447    HB   VAL  57           HB       VAL  57  -1.096  11.126   0.616
  448   1HG1  VAL  57          1HG1      VAL  57  -3.307  10.455  -0.236
  449   2HG1  VAL  57          2HG1      VAL  57  -2.527   9.346  -1.362
  450   3HG1  VAL  57          3HG1      VAL  57  -2.271  11.085  -1.515
  451   1HG2  VAL  57          1HG2      VAL  57  -2.361   9.324   1.708
  452   2HG2  VAL  57          2HG2      VAL  57  -0.620   9.078   1.854
  453   3HG2  VAL  57          3HG2      VAL  57  -1.549   8.141   0.683
  454    H    LEU  58           H        LEU  58  -0.124   9.269  -3.120
  455    HA   LEU  58           HA       LEU  58   0.368  12.023  -4.037
  456   1HB   LEU  58          2HB       LEU  58   1.004   9.397  -5.400
  457   2HB   LEU  58          1HB       LEU  58   1.164  10.963  -6.166
  458    HG   LEU  58           HG       LEU  58   2.739  11.485  -4.135
  459   1HD1  LEU  58          1HD1      LEU  58   2.297   9.450  -2.893
  460   2HD1  LEU  58          2HD1      LEU  58   3.992   9.529  -3.377
  461   3HD1  LEU  58          3HD1      LEU  58   2.875   8.479  -4.248
  462   1HD2  LEU  58          1HD2      LEU  58   3.551   9.719  -6.434
  463   2HD2  LEU  58          2HD2      LEU  58   4.652  10.665  -5.433
  464   3HD2  LEU  58          3HD2      LEU  58   3.457  11.479  -6.444
  465    HA   PRO  59           HA       PRO  59  -3.399  12.820  -6.040
  466   1HB   PRO  59          2HB       PRO  59  -2.106  12.067  -8.635
  467   2HB   PRO  59          1HB       PRO  59  -3.177  13.426  -8.272
  468   1HG   PRO  59          2HG       PRO  59  -0.532  13.758  -8.384
  469   2HG   PRO  59          1HG       PRO  59  -1.516  14.619  -7.186
  470   1HD   PRO  59          2HD       PRO  59   0.396  12.410  -6.811
  471   2HD   PRO  59          1HD       PRO  59  -0.193  13.600  -5.639
  472    H    LYS  60           H        LYS  60  -1.951   9.874  -7.514
  473    HA   LYS  60           HA       LYS  60  -4.649   8.711  -7.425
  474   1HB   LYS  60          2HB       LYS  60  -4.237   7.622  -9.606
  475   2HB   LYS  60          1HB       LYS  60  -4.302   9.373  -9.713
  476   1HG   LYS  60          2HG       LYS  60  -1.922   9.512  -9.908
  477   2HG   LYS  60          1HG       LYS  60  -1.751   7.788  -9.583
  478   1HD   LYS  60          2HD       LYS  60  -1.511   8.001 -11.911
  479   2HD   LYS  60          1HD       LYS  60  -3.149   7.403 -11.670
  480   1HE   LYS  60          2HE       LYS  60  -2.443  10.304 -12.108
  481   2HE   LYS  60          1HE       LYS  60  -2.941   9.203 -13.388
  482   1HZ   LYS  60          1HZ       LYS  60  -4.545  10.186 -11.098
  483   2HZ   LYS  60          2HZ       LYS  60  -5.023   8.850 -12.024
  484   3HZ   LYS  60          3HZ       LYS  60  -4.854  10.368 -12.753
  485    H    PHE  61           H        PHE  61  -1.930   8.385  -5.927
  486    HA   PHE  61           HA       PHE  61  -2.253   5.621  -5.419
  487   1HB   PHE  61          2HB       PHE  61  -0.119   4.760  -6.239
  488   2HB   PHE  61          1HB       PHE  61  -1.100   5.362  -7.566
  489    HD1  PHE  61           HD1      PHE  61   2.010   5.665  -5.759
  490    HD2  PHE  61           HD2      PHE  61  -0.506   7.515  -8.653
  491    HE1  PHE  61           HE1      PHE  61   3.905   7.033  -6.528
  492    HE2  PHE  61           HE2      PHE  61   1.383   8.886  -9.424
  493    HZ   PHE  61           HZ       PHE  61   3.593   8.645  -8.364
  494    H    ALA  62           H        ALA  62  -1.044   4.888  -3.661
  495    HA   ALA  62           HA       ALA  62   0.302   7.043  -2.172
  496   1HB   ALA  62          1HB       ALA  62  -1.678   6.138  -1.066
  497   2HB   ALA  62          2HB       ALA  62  -0.221   5.770  -0.148
  498   3HB   ALA  62          3HB       ALA  62  -0.986   4.520  -1.129
  499    H    PHE  63           H        PHE  63   2.050   6.290  -0.687
  500    HA   PHE  63           HA       PHE  63   3.580   4.053  -1.837
  501   1HB   PHE  63          2HB       PHE  63   4.486   6.246  -2.595
  502   2HB   PHE  63          1HB       PHE  63   4.717   6.704  -0.911
  503    HD1  PHE  63           HD1      PHE  63   5.703   4.140  -3.412
  504    HD2  PHE  63           HD2      PHE  63   6.709   6.216   0.164
  505    HE1  PHE  63           HE1      PHE  63   7.944   3.127  -3.457
  506    HE2  PHE  63           HE2      PHE  63   8.948   5.205   0.125
  507    HZ   PHE  63           HZ       PHE  63   9.572   3.659  -1.688
  508    H    ALA  64           H        ALA  64   4.084   2.570  -0.344
  509    HA   ALA  64           HA       ALA  64   4.341   3.389   2.463
  510   1HB   ALA  64          1HB       ALA  64   2.536   1.157   1.536
  511   2HB   ALA  64          2HB       ALA  64   2.003   2.726   2.142
  512   3HB   ALA  64          3HB       ALA  64   2.857   1.611   3.210
  513    H    SER  65           H        SER  65   5.232   1.672   3.833
  514    HA   SER  65           HA       SER  65   6.711  -0.394   2.370
  515   1HB   SER  65          2HB       SER  65   8.615   0.052   4.033
  516   2HB   SER  65          1HB       SER  65   8.391   1.227   2.738
  517    HG   SER  65           HG       SER  65   7.817   2.697   4.139
  518    H    VAL  66           H        VAL  66   7.415  -2.188   3.772
  519    HA   VAL  66           HA       VAL  66   5.266  -2.874   5.587
  520    HB   VAL  66           HB       VAL  66   7.661  -4.526   4.757
  521   1HG1  VAL  66          1HG1      VAL  66   6.350  -6.434   5.535
  522   2HG1  VAL  66          2HG1      VAL  66   5.061  -5.346   6.048
  523   3HG1  VAL  66          3HG1      VAL  66   6.635  -5.284   6.840
  524   1HG2  VAL  66          1HG2      VAL  66   6.101  -5.647   3.213
  525   2HG2  VAL  66          2HG2      VAL  66   6.325  -3.944   2.816
  526   3HG2  VAL  66          3HG2      VAL  66   4.857  -4.471   3.639
  527    H    VAL  67           H        VAL  67   5.379  -2.363   7.675
  528    HA   VAL  67           HA       VAL  67   8.031  -2.324   8.947
  529    HB   VAL  67           HB       VAL  67   7.206  -0.631  10.506
  530   1HG1  VAL  67          1HG1      VAL  67   8.303   0.126   8.478
  531   2HG1  VAL  67          2HG1      VAL  67   7.032   1.254   8.949
  532   3HG1  VAL  67          3HG1      VAL  67   6.760   0.124   7.622
  533   1HG2  VAL  67          1HG2      VAL  67   5.021   0.450  10.147
  534   2HG2  VAL  67          2HG2      VAL  67   4.850  -1.260  10.549
  535   3HG2  VAL  67          3HG2      VAL  67   4.659  -0.722   8.880
  536    H    GLU  68           H        GLU  68   5.505  -4.144   8.665
  537    HA   GLU  68           HA       GLU  68   4.258  -5.606   9.884
  538   1HB   GLU  68          2HB       GLU  68   6.646  -6.403  10.270
  539   2HB   GLU  68          1HB       GLU  68   6.574  -5.583  11.823
  540   1HG   GLU  68          2HG       GLU  68   4.615  -6.996  12.409
  541   2HG   GLU  68          1HG       GLU  68   4.861  -7.880  10.903
  Start of MODEL    5
    1   1H    MET   1          1HT       MET   1 -18.198  25.719  12.820
    2   2H    MET   1          2HT       MET   1 -19.285  27.013  12.918
    3   3H    MET   1          3HT       MET   1 -19.480  25.833  11.715
    4    HA   MET   1           HA       MET   1 -19.729  25.397  14.633
    5   1HB   MET   1          2HB       MET   1 -21.802  25.574  12.444
    6   2HB   MET   1          1HB       MET   1 -22.129  24.874  14.020
    7   1HG   MET   1          2HG       MET   1 -22.934  27.140  13.925
    8   2HG   MET   1          1HG       MET   1 -21.608  27.015  15.078
    9   1HE   MET   1          1HE       MET   1 -21.634  29.726  14.988
   10   2HE   MET   1          2HE       MET   1 -22.844  29.739  13.705
   11   3HE   MET   1          3HE       MET   1 -21.344  30.649  13.515
   12    H    PHE   2           H        PHE   2 -20.467  24.000  11.432
   13    HA   PHE   2           HA       PHE   2 -19.404  21.442  12.404
   14   1HB   PHE   2          2HB       PHE   2 -22.080  21.852  11.066
   15   2HB   PHE   2          1HB       PHE   2 -21.288  20.284  11.176
   16    HD1  PHE   2           HD1      PHE   2 -20.907  19.253  13.392
   17    HD2  PHE   2           HD2      PHE   2 -23.235  22.782  12.906
   18    HE1  PHE   2           HE1      PHE   2 -21.906  18.897  15.611
   19    HE2  PHE   2           HE2      PHE   2 -24.232  22.435  15.125
   20    HZ   PHE   2           HZ       PHE   2 -23.569  20.490  16.480
   21    H    ARG   3           H        ARG   3 -18.582  20.084  10.801
   22    HA   ARG   3           HA       ARG   3 -18.662  21.003   8.037
   23   1HB   ARG   3          2HB       ARG   3 -16.632  22.054   8.961
   24   2HB   ARG   3          1HB       ARG   3 -16.061  20.479   9.500
   25   1HG   ARG   3          2HG       ARG   3 -15.925  19.722   7.193
   26   2HG   ARG   3          1HG       ARG   3 -16.543  21.276   6.636
   27   1HD   ARG   3          2HD       ARG   3 -14.010  20.940   8.228
   28   2HD   ARG   3          1HD       ARG   3 -14.064  21.005   6.469
   29    HE   ARG   3           HE       ARG   3 -14.885  23.231   8.239
   30   1HH1  ARG   3          1HH1      ARG   3 -13.636  22.013   5.193
   31   2HH1  ARG   3          2HH1      ARG   3 -13.146  23.582   4.628
   32   1HH2  ARG   3          1HH2      ARG   3 -14.240  25.307   7.478
   33   2HH2  ARG   3          2HH2      ARG   3 -13.475  25.444   5.923
   34    H    GLU   4           H        GLU   4 -18.438  19.348   6.566
   35    HA   GLU   4           HA       GLU   4 -19.028  16.734   7.585
   36   1HB   GLU   4          2HB       GLU   4 -19.160  16.135   5.165
   37   2HB   GLU   4          1HB       GLU   4 -20.199  17.472   5.638
   38   1HG   GLU   4          2HG       GLU   4 -18.541  19.052   4.749
   39   2HG   GLU   4          1HG       GLU   4 -17.549  17.691   4.229
   40    H    GLU   5           H        GLU   5 -17.941  14.822   6.485
   41    HA   GLU   5           HA       GLU   5 -15.075  15.034   6.946
   42   1HB   GLU   5          2HB       GLU   5 -15.119  12.575   6.849
   43   2HB   GLU   5          1HB       GLU   5 -16.292  13.198   8.003
   44   1HG   GLU   5          2HG       GLU   5 -17.911  13.033   5.942
   45   2HG   GLU   5          1HG       GLU   5 -16.724  11.845   5.398
   46    H    SER   6           H        SER   6 -13.562  14.001   5.385
   47    HA   SER   6           HA       SER   6 -14.578  14.039   2.634
   48   1HB   SER   6          2HB       SER   6 -12.127  15.559   3.550
   49   2HB   SER   6          1HB       SER   6 -12.711  15.442   1.892
   50    HG   SER   6           HG       SER   6 -14.734  16.256   3.390
   51    H    ARG   7           H        ARG   7 -11.740  13.408   4.695
   52    HA   ARG   7           HA       ARG   7 -10.044  11.907   4.583
   53   1HB   ARG   7          2HB       ARG   7 -12.250  10.440   3.239
   54   2HB   ARG   7          1HB       ARG   7 -10.623   9.814   3.017
   55   1HG   ARG   7          2HG       ARG   7 -11.883  10.341   5.699
   56   2HG   ARG   7          1HG       ARG   7 -11.861   8.771   4.889
   57   1HD   ARG   7          2HD       ARG   7  -9.339   9.007   4.808
   58   2HD   ARG   7          1HD       ARG   7  -9.525  10.370   5.909
   59    HE   ARG   7           HE       ARG   7 -10.903   8.198   7.000
   60   1HH1  ARG   7          1HH1      ARG   7  -7.605   9.196   6.346
   61   2HH1  ARG   7          2HH1      ARG   7  -6.906   8.127   7.528
   62   1HH2  ARG   7          1HH2      ARG   7 -10.010   6.815   8.555
   63   2HH2  ARG   7          2HH2      ARG   7  -8.288   6.772   8.808
   64    H    SER   8           H        SER   8  -8.219  12.379   3.555
   65    HA   SER   8           HA       SER   8  -8.189  13.132   0.780
   66   1HB   SER   8          2HB       SER   8  -5.759  12.466   2.445
   67   2HB   SER   8          1HB       SER   8  -5.886  13.600   1.098
   68    HG   SER   8           HG       SER   8  -6.455  13.944   3.778
   69    H    VAL   9           H        VAL   9  -9.065  11.253  -0.170
   70    HA   VAL   9           HA       VAL   9  -9.268   9.174  -0.976
   71    HB   VAL   9           HB       VAL   9  -7.491   8.173  -2.048
   72   1HG1  VAL   9          1HG1      VAL   9  -6.060   9.930  -2.955
   73   2HG1  VAL   9          2HG1      VAL   9  -6.599  11.013  -1.671
   74   3HG1  VAL   9          3HG1      VAL   9  -7.754  10.412  -2.861
   75   1HG2  VAL   9          1HG2      VAL   9  -6.078   7.535  -0.244
   76   2HG2  VAL   9          2HG2      VAL   9  -5.634   9.210   0.078
   77   3HG2  VAL   9          3HG2      VAL   9  -5.096   8.425  -1.408
   78    HA   PRO  10           HA       PRO  10  -9.737   6.282   2.210
   79   1HB   PRO  10          2HB       PRO  10  -8.705   3.870   1.419
   80   2HB   PRO  10          1HB       PRO  10 -10.241   4.533   0.849
   81   1HG   PRO  10          2HG       PRO  10  -7.554   4.576  -0.462
   82   2HG   PRO  10          1HG       PRO  10  -9.146   4.266  -1.176
   83   1HD   PRO  10          2HD       PRO  10  -7.932   6.637  -1.433
   84   2HD   PRO  10          1HD       PRO  10  -9.692   6.511  -1.254
   85    H    VAL  11           H        VAL  11  -6.502   6.865   1.328
   86    HA   VAL  11           HA       VAL  11  -5.598   5.975   3.965
   87    HB   VAL  11           HB       VAL  11  -3.435   5.229   2.976
   88   1HG1  VAL  11          1HG1      VAL  11  -5.144   3.605   3.573
   89   2HG1  VAL  11          2HG1      VAL  11  -4.245   3.081   2.150
   90   3HG1  VAL  11          3HG1      VAL  11  -5.863   3.758   1.969
   91   1HG2  VAL  11          1HG2      VAL  11  -3.316   4.732   0.581
   92   2HG2  VAL  11          2HG2      VAL  11  -3.531   6.458   0.871
   93   3HG2  VAL  11          3HG2      VAL  11  -4.899   5.476   0.349
   94    H    GLU  12           H        GLU  12  -4.332   7.452   5.000
   95    HA   GLU  12           HA       GLU  12  -3.529   9.785   3.396
   96   1HB   GLU  12          2HB       GLU  12  -4.679   9.736   6.184
   97   2HB   GLU  12          1HB       GLU  12  -3.884  11.149   5.498
   98   1HG   GLU  12          2HG       GLU  12  -5.531  11.082   3.629
   99   2HG   GLU  12          1HG       GLU  12  -6.370   9.790   4.481
  100    H    GLU  13           H        GLU  13  -1.917  11.189   4.683
  101    HA   GLU  13           HA       GLU  13   0.471   9.694   4.615
  102   1HB   GLU  13          2HB       GLU  13  -0.050  12.508   5.565
  103   2HB   GLU  13          1HB       GLU  13   1.541  11.829   5.254
  104   1HG   GLU  13          2HG       GLU  13   1.158  11.707   2.947
  105   2HG   GLU  13          1HG       GLU  13  -0.581  11.926   3.139
  106    H    GLY  14           H        GLY  14   1.150   8.365   6.126
  107   1HA   GLY  14          2HA       GLY  14   2.406   8.124   8.097
  108   2HA   GLY  14          1HA       GLY  14   1.550   9.472   8.804
  109    H    GLU  15           H        GLU  15  -0.046   6.755   7.220
  110    HA   GLU  15           HA       GLU  15  -0.898   5.878   9.910
  111   1HB   GLU  15          2HB       GLU  15  -2.645   5.781   7.456
  112   2HB   GLU  15          1HB       GLU  15  -3.100   5.331   9.087
  113   1HG   GLU  15          2HG       GLU  15  -2.497   7.800   9.641
  114   2HG   GLU  15          1HG       GLU  15  -2.715   8.039   7.910
  115    H    VAL  16           H        VAL  16  -1.444   3.656  10.119
  116    HA   VAL  16           HA       VAL  16   0.059   1.989   8.220
  117    HB   VAL  16           HB       VAL  16   1.152   1.956  10.363
  118   1HG1  VAL  16          1HG1      VAL  16  -1.510   1.177  11.541
  119   2HG1  VAL  16          2HG1      VAL  16  -0.672   2.713  11.763
  120   3HG1  VAL  16          3HG1      VAL  16   0.021   1.228  12.417
  121   1HG2  VAL  16          1HG2      VAL  16   1.022  -0.439  10.950
  122   2HG2  VAL  16          2HG2      VAL  16   1.125  -0.174   9.211
  123   3HG2  VAL  16          3HG2      VAL  16  -0.422  -0.587   9.950
  124    H    TYR  17           H        TYR  17  -0.916   0.300   7.273
  125    HA   TYR  17           HA       TYR  17  -3.632  -0.427   8.151
  126   1HB   TYR  17          2HB       TYR  17  -2.835  -0.088   5.251
  127   2HB   TYR  17          1HB       TYR  17  -4.439  -0.435   5.879
  128    HD1  TYR  17           HD1      TYR  17  -5.832   1.352   6.787
  129    HD2  TYR  17           HD2      TYR  17  -1.890   2.153   5.386
  130    HE1  TYR  17           HE1      TYR  17  -6.329   3.764   6.770
  131    HE2  TYR  17           HE2      TYR  17  -2.380   4.563   5.379
  132    HH   TYR  17           HH       TYR  17  -5.036   5.937   6.881
  133    H    ASP  18           H        ASP  18  -4.240  -2.576   7.680
  134    HA   ASP  18           HA       ASP  18  -2.002  -4.386   7.147
  135   1HB   ASP  18          2HB       ASP  18  -4.841  -5.049   7.963
  136   2HB   ASP  18          1HB       ASP  18  -3.475  -6.158   7.936
  137    H    VAL  19           H        VAL  19  -1.667  -4.838   5.039
  138    HA   VAL  19           HA       VAL  19  -4.028  -4.847   3.266
  139    HB   VAL  19           HB       VAL  19  -2.633  -3.980   1.466
  140   1HG1  VAL  19          1HG1      VAL  19  -3.813  -2.371   2.832
  141   2HG1  VAL  19          2HG1      VAL  19  -2.253  -1.713   2.340
  142   3HG1  VAL  19          3HG1      VAL  19  -2.474  -2.324   3.980
  143   1HG2  VAL  19          1HG2      VAL  19  -0.493  -4.934   2.131
  144   2HG2  VAL  19          2HG2      VAL  19  -0.431  -3.859   3.529
  145   3HG2  VAL  19          3HG2      VAL  19  -0.351  -3.191   1.899
  146    H    THR  20           H        THR  20  -3.707  -6.041   1.237
  147    HA   THR  20           HA       THR  20  -1.770  -8.229   1.440
  148    HB   THR  20           HB       THR  20  -4.623  -8.553   0.476
  149    HG1  THR  20           HG1      THR  20  -3.436  -8.781   2.970
  150   1HG2  THR  20          1HG2      THR  20  -3.015 -10.056  -0.616
  151   2HG2  THR  20          2HG2      THR  20  -4.091 -10.946   0.463
  152   3HG2  THR  20          3HG2      THR  20  -2.437 -10.588   0.964
  153    H    ILE  21           H        ILE  21  -0.589  -8.478  -0.352
  154    HA   ILE  21           HA       ILE  21  -0.764  -6.496  -2.378
  155    HB   ILE  21           HB       ILE  21   0.909  -9.007  -2.332
  156   1HG1  ILE  21          2HG1      ILE  21   1.351  -7.677  -0.357
  157   2HG1  ILE  21          1HG1      ILE  21   2.698  -7.514  -1.475
  158   1HG2  ILE  21          1HG2      ILE  21   1.207  -6.469  -3.925
  159   2HG2  ILE  21          2HG2      ILE  21   0.773  -8.060  -4.550
  160   3HG2  ILE  21          3HG2      ILE  21   2.379  -7.787  -3.874
  161   1HD1  ILE  21          1HD1      ILE  21   1.813  -5.345  -2.198
  162   2HD1  ILE  21          2HD1      ILE  21   2.175  -5.387  -0.474
  163   3HD1  ILE  21          3HD1      ILE  21   0.504  -5.505  -1.025
  164    H    GLN  22           H        GLN  22  -1.819  -6.512  -4.243
  165    HA   GLN  22           HA       GLN  22  -3.303  -8.937  -4.955
  166   1HB   GLN  22          2HB       GLN  22  -3.704  -6.063  -5.813
  167   2HB   GLN  22          1HB       GLN  22  -4.719  -7.413  -6.297
  168   1HG   GLN  22          2HG       GLN  22  -4.324  -6.481  -3.463
  169   2HG   GLN  22          1HG       GLN  22  -5.696  -6.060  -4.488
  170   1HE2  GLN  22          1HE2      GLN  22  -4.148  -8.566  -2.652
  171   2HE2  GLN  22          2HE2      GLN  22  -5.468  -9.690  -2.674
  172    H    ASP  23           H        ASP  23  -1.148  -6.499  -6.359
  173    HA   ASP  23           HA       ASP  23  -0.671  -8.340  -8.604
  174   1HB   ASP  23          2HB       ASP  23  -1.290  -5.397  -8.784
  175   2HB   ASP  23          1HB       ASP  23  -0.443  -6.250 -10.067
  176    H    ILE  24           H        ILE  24   1.293  -7.507  -9.920
  177    HA   ILE  24           HA       ILE  24   3.360  -6.514  -8.071
  178    HB   ILE  24           HB       ILE  24   3.678  -8.636 -10.211
  179   1HG1  ILE  24          2HG1      ILE  24   2.676  -9.446  -8.114
  180   2HG1  ILE  24          1HG1      ILE  24   4.286 -10.113  -8.364
  181   1HG2  ILE  24          1HG2      ILE  24   5.620  -7.173 -10.181
  182   2HG2  ILE  24          2HG2      ILE  24   6.029  -8.755  -9.519
  183   3HG2  ILE  24          3HG2      ILE  24   5.774  -7.387  -8.439
  184   1HD1  ILE  24          1HD1      ILE  24   5.189  -8.469  -6.778
  185   2HD1  ILE  24          2HD1      ILE  24   3.966  -9.510  -6.049
  186   3HD1  ILE  24          3HD1      ILE  24   3.559  -7.855  -6.508
  187    H    ALA  25           H        ALA  25   4.582  -4.863  -8.809
  188    HA   ALA  25           HA       ALA  25   3.940  -3.863 -11.489
  189   1HB   ALA  25          1HB       ALA  25   5.263  -2.398  -9.221
  190   2HB   ALA  25          2HB       ALA  25   3.529  -2.405  -9.538
  191   3HB   ALA  25          3HB       ALA  25   4.639  -1.707 -10.719
  192    H    ARG  26           H        ARG  26   5.888  -2.440 -12.363
  193    HA   ARG  26           HA       ARG  26   7.798  -4.368 -13.191
  194   1HB   ARG  26          2HB       ARG  26   7.557  -1.406 -13.664
  195   2HB   ARG  26          1HB       ARG  26   8.843  -2.378 -14.363
  196   1HG   ARG  26          2HG       ARG  26   7.232  -3.725 -15.552
  197   2HG   ARG  26          1HG       ARG  26   5.902  -2.851 -14.787
  198   1HD   ARG  26          2HD       ARG  26   6.472  -2.134 -17.135
  199   2HD   ARG  26          1HD       ARG  26   6.435  -0.848 -15.930
  200    HE   ARG  26           HE       ARG  26   8.789  -0.709 -16.025
  201   1HH1  ARG  26          1HH1      ARG  26   7.489  -3.054 -18.286
  202   2HH1  ARG  26          2HH1      ARG  26   8.923  -3.097 -19.266
  203   1HH2  ARG  26          1HH2      ARG  26  10.670  -0.751 -17.337
  204   2HH2  ARG  26          2HH2      ARG  26  10.724  -1.794 -18.729
  205    H    GLN  27           H        GLN  27   7.895  -1.779 -10.820
  206    HA   GLN  27           HA       GLN  27  10.746  -1.920 -10.454
  207   1HB   GLN  27          2HB       GLN  27   8.531  -0.622  -8.873
  208   2HB   GLN  27          1HB       GLN  27  10.215  -0.550  -8.380
  209   1HG   GLN  27          2HG       GLN  27   9.391   0.346 -11.108
  210   2HG   GLN  27          1HG       GLN  27   9.196   1.404  -9.714
  211   1HE2  GLN  27          1HE2      GLN  27  11.846  -0.879 -10.052
  212   2HE2  GLN  27          2HE2      GLN  27  13.087   0.309 -10.243
  213    H    GLY  28           H        GLY  28   8.818  -4.341  -9.976
  214   1HA   GLY  28          2HA       GLY  28   8.795  -6.160  -8.554
  215   2HA   GLY  28          1HA       GLY  28  10.209  -5.472  -7.759
  216    H    ASP  29           H        ASP  29   7.268  -3.715  -8.170
  217    HA   ASP  29           HA       ASP  29   7.091  -3.379  -5.291
  218   1HB   ASP  29          2HB       ASP  29   7.055  -1.403  -6.825
  219   2HB   ASP  29          1HB       ASP  29   5.537  -1.997  -7.490
  220    H    GLY  30           H        GLY  30   5.271  -3.873  -4.093
  221   1HA   GLY  30          2HA       GLY  30   3.456  -5.800  -5.344
  222   2HA   GLY  30          1HA       GLY  30   3.690  -5.567  -3.614
  223    H    ILE  31           H        ILE  31   1.658  -5.022  -6.145
  224    HA   ILE  31           HA       ILE  31   0.713  -2.408  -5.409
  225    HB   ILE  31           HB       ILE  31  -0.460  -4.440  -7.313
  226   1HG1  ILE  31          2HG1      ILE  31   1.204  -1.970  -7.852
  227   2HG1  ILE  31          1HG1      ILE  31   1.806  -3.623  -7.915
  228   1HG2  ILE  31          1HG2      ILE  31  -1.741  -2.547  -8.215
  229   2HG2  ILE  31          2HG2      ILE  31  -1.104  -1.517  -6.933
  230   3HG2  ILE  31          3HG2      ILE  31  -2.151  -2.877  -6.531
  231   1HD1  ILE  31          1HD1      ILE  31   0.251  -4.102  -9.743
  232   2HD1  ILE  31          2HD1      ILE  31   1.356  -2.784 -10.134
  233   3HD1  ILE  31          3HD1      ILE  31  -0.313  -2.432  -9.687
  234    H    ALA  32           H        ALA  32  -0.178  -2.311  -3.461
  235    HA   ALA  32           HA       ALA  32  -2.338  -4.198  -2.800
  236   1HB   ALA  32          1HB       ALA  32  -0.590  -4.018  -1.104
  237   2HB   ALA  32          2HB       ALA  32  -2.116  -3.372  -0.500
  238   3HB   ALA  32          3HB       ALA  32  -0.839  -2.273  -1.021
  239    H    ARG  33           H        ARG  33  -4.334  -3.485  -3.212
  240    HA   ARG  33           HA       ARG  33  -4.703  -0.584  -3.466
  241   1HB   ARG  33          2HB       ARG  33  -6.556  -1.072  -4.972
  242   2HB   ARG  33          1HB       ARG  33  -5.085  -1.846  -5.538
  243   1HG   ARG  33          2HG       ARG  33  -5.863  -3.976  -4.585
  244   2HG   ARG  33          1HG       ARG  33  -7.355  -3.181  -4.079
  245   1HD   ARG  33          2HD       ARG  33  -7.739  -2.579  -6.478
  246   2HD   ARG  33          1HD       ARG  33  -6.361  -3.601  -6.888
  247    HE   ARG  33           HE       ARG  33  -8.495  -4.832  -5.332
  248   1HH1  ARG  33          1HH1      ARG  33  -6.934  -4.404  -8.442
  249   2HH1  ARG  33          2HH1      ARG  33  -7.779  -5.730  -9.189
  250   1HH2  ARG  33          1HH2      ARG  33  -9.572  -6.585  -6.293
  251   2HH2  ARG  33          2HH2      ARG  33  -9.270  -6.981  -7.957
  252    H    ILE  34           H        ILE  34  -6.176   0.438  -2.266
  253    HA   ILE  34           HA       ILE  34  -8.068  -1.198  -0.713
  254    HB   ILE  34           HB       ILE  34  -6.633   1.306   0.193
  255   1HG1  ILE  34          2HG1      ILE  34  -6.651  -1.533   1.241
  256   2HG1  ILE  34          1HG1      ILE  34  -5.316  -0.743   0.412
  257   1HG2  ILE  34          1HG2      ILE  34  -8.836  -0.232   1.563
  258   2HG2  ILE  34          2HG2      ILE  34  -8.967   1.388   0.880
  259   3HG2  ILE  34          3HG2      ILE  34  -7.921   1.101   2.272
  260   1HD1  ILE  34          1HD1      ILE  34  -4.950  -0.838   2.810
  261   2HD1  ILE  34          2HD1      ILE  34  -6.448   0.051   3.079
  262   3HD1  ILE  34          3HD1      ILE  34  -5.096   0.829   2.257
  263    H    GLU  35           H        GLU  35 -10.039  -0.842  -1.305
  264    HA   GLU  35           HA       GLU  35 -11.933   0.090  -2.150
  265   1HB   GLU  35          2HB       GLU  35 -10.916   1.887  -0.304
  266   2HB   GLU  35          1HB       GLU  35 -11.211   2.888  -1.717
  267   1HG   GLU  35          2HG       GLU  35 -13.255   1.092  -0.427
  268   2HG   GLU  35          1HG       GLU  35 -13.100   2.824  -0.137
  269    H    GLY  36           H        GLY  36  -9.512  -0.192  -3.849
  270   1HA   GLY  36          2HA       GLY  36  -9.521   0.020  -6.209
  271   2HA   GLY  36          1HA       GLY  36 -10.477   1.485  -6.053
  272    H    PHE  37           H        PHE  37  -8.531   2.341  -3.853
  273    HA   PHE  37           HA       PHE  37  -6.852   3.862  -5.610
  274   1HB   PHE  37          2HB       PHE  37  -7.878   4.681  -3.433
  275   2HB   PHE  37          1HB       PHE  37  -6.658   3.725  -2.602
  276    HD1  PHE  37           HD1      PHE  37  -7.169   6.549  -4.918
  277    HD2  PHE  37           HD2      PHE  37  -4.452   4.509  -2.356
  278    HE1  PHE  37           HE1      PHE  37  -5.584   8.419  -5.117
  279    HE2  PHE  37           HE2      PHE  37  -2.862   6.374  -2.554
  280    HZ   PHE  37           HZ       PHE  37  -3.426   8.333  -3.936
  281    H    VAL  38           H        VAL  38  -4.779   3.523  -6.139
  282    HA   VAL  38           HA       VAL  38  -3.646   0.955  -5.428
  283    HB   VAL  38           HB       VAL  38  -2.643   3.048  -7.365
  284   1HG1  VAL  38          1HG1      VAL  38  -1.260   1.218  -8.264
  285   2HG1  VAL  38          2HG1      VAL  38  -1.784   0.192  -6.928
  286   3HG1  VAL  38          3HG1      VAL  38  -0.831   1.642  -6.607
  287   1HG2  VAL  38          1HG2      VAL  38  -4.801   2.140  -8.030
  288   2HG2  VAL  38          2HG2      VAL  38  -4.181   0.499  -7.846
  289   3HG2  VAL  38          3HG2      VAL  38  -3.524   1.554  -9.097
  290    H    ILE  39           H        ILE  39  -2.279   0.681  -3.841
  291    HA   ILE  39           HA       ILE  39  -0.478   2.885  -3.066
  292    HB   ILE  39           HB       ILE  39  -1.298   0.515  -1.371
  293   1HG1  ILE  39          2HG1      ILE  39  -2.279   3.368  -1.155
  294   2HG1  ILE  39          1HG1      ILE  39  -3.197   2.068  -1.904
  295   1HG2  ILE  39          1HG2      ILE  39   0.128   3.079  -0.665
  296   2HG2  ILE  39          2HG2      ILE  39   0.868   1.484  -0.798
  297   3HG2  ILE  39          3HG2      ILE  39  -0.322   1.801   0.464
  298   1HD1  ILE  39          1HD1      ILE  39  -2.312   2.175   0.965
  299   2HD1  ILE  39          2HD1      ILE  39  -3.227   0.866   0.217
  300   3HD1  ILE  39          3HD1      ILE  39  -3.943   2.471   0.363
  301    H    PHE  40           H        PHE  40   1.693   2.495  -3.201
  302    HA   PHE  40           HA       PHE  40   2.455  -0.095  -4.326
  303   1HB   PHE  40          2HB       PHE  40   3.908   2.554  -4.287
  304   2HB   PHE  40          1HB       PHE  40   4.572   1.073  -4.960
  305    HD1  PHE  40           HD1      PHE  40   2.264   3.827  -5.464
  306    HD2  PHE  40           HD2      PHE  40   3.582   0.072  -6.973
  307    HE1  PHE  40           HE1      PHE  40   1.180   4.312  -7.619
  308    HE2  PHE  40           HE2      PHE  40   2.502   0.552  -9.130
  309    HZ   PHE  40           HZ       PHE  40   1.300   2.675  -9.455
  310    H    VAL  41           H        VAL  41   3.655  -1.511  -3.292
  311    HA   VAL  41           HA       VAL  41   5.128  -0.688  -0.878
  312    HB   VAL  41           HB       VAL  41   3.558  -3.266  -1.113
  313   1HG1  VAL  41          1HG1      VAL  41   4.100  -3.522   1.272
  314   2HG1  VAL  41          2HG1      VAL  41   5.069  -2.050   1.200
  315   3HG1  VAL  41          3HG1      VAL  41   5.549  -3.470   0.270
  316   1HG2  VAL  41          1HG2      VAL  41   2.933  -0.801   0.514
  317   2HG2  VAL  41          2HG2      VAL  41   2.052  -2.329   0.575
  318   3HG2  VAL  41          3HG2      VAL  41   2.043  -1.361  -0.902
  319    HA   PRO  42           HA       PRO  42   7.994  -2.565  -3.878
  320   1HB   PRO  42          2HB       PRO  42   9.987  -1.385  -2.046
  321   2HB   PRO  42          1HB       PRO  42   9.789  -1.165  -3.787
  322   1HG   PRO  42          2HG       PRO  42   9.144   0.775  -2.058
  323   2HG   PRO  42          1HG       PRO  42   8.203   0.492  -3.534
  324   1HD   PRO  42          2HD       PRO  42   7.579  -0.282  -0.711
  325   2HD   PRO  42          1HD       PRO  42   6.499   0.339  -1.977
  326    H    GLY  43           H        GLY  43   8.627  -4.617  -3.804
  327   1HA   GLY  43          2HA       GLY  43  10.030  -6.348  -3.093
  328   2HA   GLY  43          1HA       GLY  43  10.241  -5.523  -1.560
  329    H    THR  44           H        THR  44   7.334  -6.691  -3.269
  330    HA   THR  44           HA       THR  44   6.925  -8.609  -1.103
  331    HB   THR  44           HB       THR  44   4.434  -7.979  -1.196
  332    HG1  THR  44           HG1      THR  44   5.324  -5.399  -1.884
  333   1HG2  THR  44          1HG2      THR  44   5.829  -7.554   0.766
  334   2HG2  THR  44          2HG2      THR  44   4.692  -6.234   0.500
  335   3HG2  THR  44          3HG2      THR  44   6.386  -6.040   0.053
  336    H    LYS  45           H        LYS  45   4.711  -9.860  -1.756
  337    HA   LYS  45           HA       LYS  45   4.821 -10.477  -4.626
  338   1HB   LYS  45          2HB       LYS  45   6.175 -12.155  -3.472
  339   2HB   LYS  45          1HB       LYS  45   4.867 -12.465  -2.340
  340   1HG   LYS  45          2HG       LYS  45   3.496 -13.157  -4.368
  341   2HG   LYS  45          1HG       LYS  45   5.022 -13.162  -5.250
  342   1HD   LYS  45          2HD       LYS  45   4.680 -15.384  -4.547
  343   2HD   LYS  45          1HD       LYS  45   5.900 -14.722  -3.462
  344   1HE   LYS  45          2HE       LYS  45   2.970 -14.774  -2.767
  345   2HE   LYS  45          1HE       LYS  45   4.045 -16.123  -2.415
  346   1HZ   LYS  45          1HZ       LYS  45   4.328 -13.345  -1.385
  347   2HZ   LYS  45          2HZ       LYS  45   5.411 -14.615  -1.084
  348   3HZ   LYS  45          3HZ       LYS  45   3.823 -14.700  -0.500
  349    H    VAL  46           H        VAL  46   2.858 -11.357  -5.474
  350    HA   VAL  46           HA       VAL  46   0.446 -10.437  -4.394
  351    HB   VAL  46           HB       VAL  46   0.760 -12.811  -6.243
  352   1HG1  VAL  46          1HG1      VAL  46  -1.525 -10.873  -5.905
  353   2HG1  VAL  46          2HG1      VAL  46  -1.475 -12.519  -5.275
  354   3HG1  VAL  46          3HG1      VAL  46  -1.466 -12.243  -7.016
  355   1HG2  VAL  46          1HG2      VAL  46   0.562 -11.236  -8.092
  356   2HG2  VAL  46          2HG2      VAL  46   1.988 -10.891  -7.112
  357   3HG2  VAL  46          3HG2      VAL  46   0.544  -9.888  -6.953
  358    H    GLY  47           H        GLY  47  -0.567 -11.082  -2.627
  359   1HA   GLY  47          2HA       GLY  47  -1.740 -12.922  -1.517
  360   2HA   GLY  47          1HA       GLY  47  -0.320 -13.913  -1.826
  361    H    ASP  48           H        ASP  48   1.277 -11.339  -1.104
  362    HA   ASP  48           HA       ASP  48   1.774 -12.067   1.595
  363   1HB   ASP  48          2HB       ASP  48   2.703  -9.836  -0.172
  364   2HB   ASP  48          1HB       ASP  48   3.004  -9.738   1.558
  365    H    GLU  49           H        GLU  49   0.486 -11.698   3.235
  366    HA   GLU  49           HA       GLU  49  -1.084  -9.225   3.298
  367   1HB   GLU  49          2HB       GLU  49  -1.837 -10.638   5.533
  368   2HB   GLU  49          1HB       GLU  49  -2.682 -10.638   3.996
  369   1HG   GLU  49          2HG       GLU  49  -2.438 -12.894   4.700
  370   2HG   GLU  49          1HG       GLU  49  -1.352 -12.637   3.338
  371    H    VAL  50           H        VAL  50   0.393  -7.730   3.877
  372    HA   VAL  50           HA       VAL  50   1.823  -8.158   6.416
  373    HB   VAL  50           HB       VAL  50   3.635  -6.713   5.554
  374   1HG1  VAL  50          1HG1      VAL  50   3.897  -9.113   5.418
  375   2HG1  VAL  50          2HG1      VAL  50   4.614  -8.350   3.998
  376   3HG1  VAL  50          3HG1      VAL  50   3.044  -9.144   3.874
  377   1HG2  VAL  50          1HG2      VAL  50   2.161  -6.909   2.931
  378   2HG2  VAL  50          2HG2      VAL  50   3.766  -6.216   3.160
  379   3HG2  VAL  50          3HG2      VAL  50   2.360  -5.453   3.904
  380    H    ARG  51           H        ARG  51   2.553  -6.039   7.410
  381    HA   ARG  51           HA       ARG  51   0.315  -4.142   7.241
  382   1HB   ARG  51          2HB       ARG  51   2.410  -4.325   9.411
  383   2HB   ARG  51          1HB       ARG  51   0.903  -3.414   9.455
  384   1HG   ARG  51          2HG       ARG  51  -0.355  -5.506   9.373
  385   2HG   ARG  51          1HG       ARG  51   1.160  -6.401   9.354
  386   1HD   ARG  51          2HD       ARG  51   0.493  -6.470  11.588
  387   2HD   ARG  51          1HD       ARG  51   1.685  -5.174  11.543
  388    HE   ARG  51           HE       ARG  51  -0.965  -4.198  11.141
  389   1HH1  ARG  51          1HH1      ARG  51   1.212  -5.367  13.625
  390   2HH1  ARG  51          2HH1      ARG  51   0.487  -4.411  14.890
  391   1HH2  ARG  51          1HH2      ARG  51  -1.931  -2.945  12.809
  392   2HH2  ARG  51          2HH2      ARG  51  -1.292  -3.055  14.426
  393    H    ILE  52           H        ILE  52   0.616  -2.180   6.489
  394    HA   ILE  52           HA       ILE  52   3.383  -1.298   6.011
  395    HB   ILE  52           HB       ILE  52   2.636  -0.293   3.859
  396   1HG1  ILE  52          2HG1      ILE  52   0.525  -1.604   2.924
  397   2HG1  ILE  52          1HG1      ILE  52   0.082  -1.656   4.623
  398   1HG2  ILE  52          1HG2      ILE  52   3.855  -2.394   3.919
  399   2HG2  ILE  52          2HG2      ILE  52   2.693  -2.375   2.593
  400   3HG2  ILE  52          3HG2      ILE  52   2.338  -3.285   4.063
  401   1HD1  ILE  52          1HD1      ILE  52  -0.963   0.209   3.459
  402   2HD1  ILE  52          2HD1      ILE  52   0.628   0.836   3.027
  403   3HD1  ILE  52          3HD1      ILE  52   0.134   0.772   4.719
  404    H    LYS  53           H        LYS  53   3.774   0.901   6.071
  405    HA   LYS  53           HA       LYS  53   1.571   2.524   7.145
  406   1HB   LYS  53          2HB       LYS  53   3.556   2.514   8.577
  407   2HB   LYS  53          1HB       LYS  53   4.560   3.009   7.219
  408   1HG   LYS  53          2HG       LYS  53   3.035   5.066   7.090
  409   2HG   LYS  53          1HG       LYS  53   2.497   4.601   8.703
  410   1HD   LYS  53          2HD       LYS  53   4.738   4.789   9.556
  411   2HD   LYS  53          1HD       LYS  53   5.371   5.083   7.936
  412   1HE   LYS  53          2HE       LYS  53   3.882   7.113   7.863
  413   2HE   LYS  53          1HE       LYS  53   3.597   6.858   9.586
  414   1HZ   LYS  53          1HZ       LYS  53   5.349   8.415   9.398
  415   2HZ   LYS  53          2HZ       LYS  53   6.161   7.481   8.236
  416   3HZ   LYS  53          3HZ       LYS  53   6.078   6.949   9.843
  417    H    VAL  54           H        VAL  54   0.578   3.741   5.663
  418    HA   VAL  54           HA       VAL  54   1.797   4.486   3.193
  419    HB   VAL  54           HB       VAL  54  -0.646   5.633   4.572
  420   1HG1  VAL  54          1HG1      VAL  54  -1.188   6.592   2.360
  421   2HG1  VAL  54          2HG1      VAL  54   0.389   6.068   1.769
  422   3HG1  VAL  54          3HG1      VAL  54   0.284   7.273   3.050
  423   1HG2  VAL  54          1HG2      VAL  54  -0.366   3.649   2.317
  424   2HG2  VAL  54          2HG2      VAL  54  -1.886   4.326   2.900
  425   3HG2  VAL  54          3HG2      VAL  54  -0.915   3.302   3.957
  426    H    GLU  55           H        GLU  55   3.475   5.735   3.149
  427    HA   GLU  55           HA       GLU  55   4.133   7.388   5.427
  428   1HB   GLU  55          2HB       GLU  55   5.727   5.804   4.308
  429   2HB   GLU  55          1HB       GLU  55   5.704   6.852   2.901
  430   1HG   GLU  55          2HG       GLU  55   7.673   7.227   4.236
  431   2HG   GLU  55          1HG       GLU  55   6.648   8.659   4.221
  432    H    ARG  56           H        ARG  56   3.322   7.727   2.037
  433    HA   ARG  56           HA       ARG  56   2.660  10.503   2.414
  434   1HB   ARG  56          2HB       ARG  56   4.103  11.308   0.575
  435   2HB   ARG  56          1HB       ARG  56   5.028  10.732   1.953
  436   1HG   ARG  56          2HG       ARG  56   5.238   8.536   0.689
  437   2HG   ARG  56          1HG       ARG  56   4.646   9.425  -0.718
  438   1HD   ARG  56          2HD       ARG  56   7.082   9.369  -0.690
  439   2HD   ARG  56          1HD       ARG  56   6.488  11.018  -0.484
  440    HE   ARG  56           HE       ARG  56   7.028  10.850   1.863
  441   1HH1  ARG  56          1HH1      ARG  56   8.373   8.377  -0.220
  442   2HH1  ARG  56          2HH1      ARG  56   9.611   7.912   0.915
  443   1HH2  ARG  56          1HH2      ARG  56   8.640  10.264   3.350
  444   2HH2  ARG  56          2HH2      ARG  56   9.753   8.979   2.967
  445    H    VAL  57           H        VAL  57   1.355  11.326   0.732
  446    HA   VAL  57           HA       VAL  57   0.424   9.273  -1.157
  447    HB   VAL  57           HB       VAL  57  -1.841  10.252  -1.020
  448   1HG1  VAL  57          1HG1      VAL  57  -0.720   9.318   1.620
  449   2HG1  VAL  57          2HG1      VAL  57  -1.314   8.295   0.313
  450   3HG1  VAL  57          3HG1      VAL  57  -2.430   9.345   1.186
  451   1HG2  VAL  57          1HG2      VAL  57  -1.294  12.500  -0.299
  452   2HG2  VAL  57          2HG2      VAL  57  -0.683  11.887   1.237
  453   3HG2  VAL  57          3HG2      VAL  57  -2.399  11.753   0.854
  454    H    LEU  58           H        LEU  58   0.163   9.840  -3.225
  455    HA   LEU  58           HA       LEU  58   0.641  12.651  -3.945
  456   1HB   LEU  58          2HB       LEU  58   1.127  10.106  -5.505
  457   2HB   LEU  58          1HB       LEU  58   1.195  11.702  -6.227
  458    HG   LEU  58           HG       LEU  58   3.004  12.215  -4.465
  459   1HD1  LEU  58          1HD1      LEU  58   3.024   9.204  -4.354
  460   2HD1  LEU  58          2HD1      LEU  58   2.658  10.304  -3.024
  461   3HD1  LEU  58          3HD1      LEU  58   4.282  10.261  -3.710
  462   1HD2  LEU  58          1HD2      LEU  58   3.546  10.236  -6.669
  463   2HD2  LEU  58          2HD2      LEU  58   4.747  11.259  -5.883
  464   3HD2  LEU  58          3HD2      LEU  58   3.458  11.988  -6.840
  465    HA   PRO  59           HA       PRO  59  -3.437  13.171  -5.417
  466   1HB   PRO  59          2HB       PRO  59  -2.377  14.017  -8.057
  467   2HB   PRO  59          1HB       PRO  59  -3.439  14.878  -6.938
  468   1HG   PRO  59          2HG       PRO  59  -0.887  15.581  -7.174
  469   2HG   PRO  59          1HG       PRO  59  -1.676  15.559  -5.584
  470   1HD   PRO  59          2HD       PRO  59   0.212  13.574  -6.789
  471   2HD   PRO  59          1HD       PRO  59   0.128  14.184  -5.122
  472    H    LYS  60           H        LYS  60  -1.527  10.815  -6.882
  473    HA   LYS  60           HA       LYS  60  -3.879   9.792  -8.309
  474   1HB   LYS  60          2HB       LYS  60  -2.234  10.817  -9.892
  475   2HB   LYS  60          1HB       LYS  60  -1.065   9.605  -9.388
  476   1HG   LYS  60          2HG       LYS  60  -2.422   7.840 -10.269
  477   2HG   LYS  60          1HG       LYS  60  -3.740   8.962 -10.611
  478   1HD   LYS  60          2HD       LYS  60  -2.285  10.144 -12.212
  479   2HD   LYS  60          1HD       LYS  60  -1.009   8.966 -11.895
  480   1HE   LYS  60          2HE       LYS  60  -2.403   7.179 -12.753
  481   2HE   LYS  60          1HE       LYS  60  -3.745   8.300 -12.979
  482   1HZ   LYS  60          1HZ       LYS  60  -1.138   8.365 -14.407
  483   2HZ   LYS  60          2HZ       LYS  60  -2.368   9.520 -14.583
  484   3HZ   LYS  60          3HZ       LYS  60  -2.635   7.914 -15.065
  485    H    PHE  61           H        PHE  61  -1.321   9.167  -6.129
  486    HA   PHE  61           HA       PHE  61  -2.156   6.506  -5.625
  487   1HB   PHE  61          2HB       PHE  61  -0.077   5.332  -6.308
  488   2HB   PHE  61          1HB       PHE  61  -0.982   5.968  -7.677
  489    HD1  PHE  61           HD1      PHE  61   2.063   6.292  -5.668
  490    HD2  PHE  61           HD2      PHE  61  -0.094   7.745  -9.041
  491    HE1  PHE  61           HE1      PHE  61   4.088   7.430  -6.470
  492    HE2  PHE  61           HE2      PHE  61   1.931   8.885  -9.847
  493    HZ   PHE  61           HZ       PHE  61   4.025   8.729  -8.560
  494    H    ALA  62           H        ALA  62  -0.794   5.444  -3.952
  495    HA   ALA  62           HA       ALA  62   0.509   7.506  -2.294
  496   1HB   ALA  62          1HB       ALA  62  -0.237   6.220  -0.331
  497   2HB   ALA  62          2HB       ALA  62  -1.076   5.099  -1.405
  498   3HB   ALA  62          3HB       ALA  62  -1.584   6.786  -1.318
  499    H    PHE  63           H        PHE  63   2.279   6.902  -1.005
  500    HA   PHE  63           HA       PHE  63   3.699   4.491  -1.941
  501   1HB   PHE  63          2HB       PHE  63   4.740   6.757  -2.444
  502   2HB   PHE  63          1HB       PHE  63   4.930   6.967  -0.709
  503    HD1  PHE  63           HD1      PHE  63   5.941   4.904  -3.591
  504    HD2  PHE  63           HD2      PHE  63   6.711   5.959   0.461
  505    HE1  PHE  63           HE1      PHE  63   8.091   3.710  -3.691
  506    HE2  PHE  63           HE2      PHE  63   8.861   4.769   0.369
  507    HZ   PHE  63           HZ       PHE  63   9.553   3.643  -1.708
  508    H    ALA  64           H        ALA  64   4.178   2.963  -0.444
  509    HA   ALA  64           HA       ALA  64   3.856   3.720   2.386
  510   1HB   ALA  64          1HB       ALA  64   2.812   1.203   1.093
  511   2HB   ALA  64          2HB       ALA  64   1.838   2.574   1.623
  512   3HB   ALA  64          3HB       ALA  64   2.714   1.603   2.807
  513    H    SER  65           H        SER  65   5.082   2.623   3.881
  514    HA   SER  65           HA       SER  65   7.262   0.979   2.782
  515   1HB   SER  65          2HB       SER  65   7.933   3.105   3.941
  516   2HB   SER  65          1HB       SER  65   7.206   2.480   5.418
  517    HG   SER  65           HG       SER  65   9.089   0.878   4.095
  518    H    VAL  66           H        VAL  66   7.569  -1.062   3.575
  519    HA   VAL  66           HA       VAL  66   5.326  -2.179   5.018
  520    HB   VAL  66           HB       VAL  66   6.130  -3.417   3.109
  521   1HG1  VAL  66          1HG1      VAL  66   8.766  -3.638   4.552
  522   2HG1  VAL  66          2HG1      VAL  66   8.449  -2.701   3.091
  523   3HG1  VAL  66          3HG1      VAL  66   8.340  -4.462   3.050
  524   1HG2  VAL  66          1HG2      VAL  66   6.766  -4.848   5.683
  525   2HG2  VAL  66          2HG2      VAL  66   6.480  -5.624   4.127
  526   3HG2  VAL  66          3HG2      VAL  66   5.184  -4.723   4.914
  527    H    VAL  67           H        VAL  67   5.241  -2.528   7.117
  528    HA   VAL  67           HA       VAL  67   7.739  -2.363   8.663
  529    HB   VAL  67           HB       VAL  67   6.329  -1.752  10.600
  530   1HG1  VAL  67          1HG1      VAL  67   7.346   0.004   9.290
  531   2HG1  VAL  67          2HG1      VAL  67   5.749   0.516   9.832
  532   3HG1  VAL  67          3HG1      VAL  67   5.989  -0.008   8.165
  533   1HG2  VAL  67          1HG2      VAL  67   3.990  -1.110  10.255
  534   2HG2  VAL  67          2HG2      VAL  67   4.247  -2.825   9.937
  535   3HG2  VAL  67          3HG2      VAL  67   4.076  -1.695   8.593
  536    H    GLU  68           H        GLU  68   6.628  -4.703   7.319
  537    HA   GLU  68           HA       GLU  68   6.677  -6.944   7.643
  538   1HB   GLU  68          2HB       GLU  68   7.257  -6.360  10.552
  539   2HB   GLU  68          1HB       GLU  68   7.524  -7.879   9.709
  540   1HG   GLU  68          2HG       GLU  68   9.257  -6.891   8.371
  541   2HG   GLU  68          1HG       GLU  68   8.920  -5.298   9.047
  Start of MODEL    6
    1   1H    MET   1          1HT       MET   1 -24.221  22.305   3.819
    2   2H    MET   1          2HT       MET   1 -25.113  21.739   5.146
    3   3H    MET   1          3HT       MET   1 -24.659  20.674   3.912
    4    HA   MET   1           HA       MET   1 -22.836  22.086   5.762
    5   1HB   MET   1          2HB       MET   1 -24.032  20.274   6.868
    6   2HB   MET   1          1HB       MET   1 -23.624  19.170   5.560
    7   1HG   MET   1          2HG       MET   1 -21.262  19.360   6.128
    8   2HG   MET   1          1HG       MET   1 -21.662  20.478   7.431
    9   1HE   MET   1          1HE       MET   1 -20.210  18.850   9.043
   10   2HE   MET   1          2HE       MET   1 -19.937  17.749   7.693
   11   3HE   MET   1          3HE       MET   1 -20.552  17.129   9.226
   12    H    PHE   2           H        PHE   2 -21.242  22.758   4.464
   13    HA   PHE   2           HA       PHE   2 -19.593  20.732   3.247
   14   1HB   PHE   2          2HB       PHE   2 -21.099  21.264   1.386
   15   2HB   PHE   2          1HB       PHE   2 -20.721  22.975   1.553
   16    HD1  PHE   2           HD1      PHE   2 -18.981  23.897   0.321
   17    HD2  PHE   2           HD2      PHE   2 -19.112  19.684   0.903
   18    HE1  PHE   2           HE1      PHE   2 -17.086  23.629  -1.223
   19    HE2  PHE   2           HE2      PHE   2 -17.213  19.410  -0.638
   20    HZ   PHE   2           HZ       PHE   2 -16.198  21.385  -1.705
   21    H    ARG   3           H        ARG   3 -17.896  21.220   4.480
   22    HA   ARG   3           HA       ARG   3 -16.542  23.744   3.913
   23   1HB   ARG   3          2HB       ARG   3 -17.187  22.754   6.687
   24   2HB   ARG   3          1HB       ARG   3 -15.851  23.849   6.374
   25   1HG   ARG   3          2HG       ARG   3 -17.534  25.415   5.340
   26   2HG   ARG   3          1HG       ARG   3 -18.786  24.357   6.000
   27   1HD   ARG   3          2HD       ARG   3 -16.621  25.711   7.606
   28   2HD   ARG   3          1HD       ARG   3 -18.285  26.274   7.472
   29    HE   ARG   3           HE       ARG   3 -18.997  24.387   8.726
   30   1HH1  ARG   3          1HH1      ARG   3 -15.500  24.626   8.457
   31   2HH1  ARG   3          2HH1      ARG   3 -15.205  23.653   9.870
   32   1HH2  ARG   3          1HH2      ARG   3 -18.606  23.131  10.572
   33   2HH2  ARG   3          2HH2      ARG   3 -16.981  22.791  11.075
   34    H    GLU   4           H        GLU   4 -14.770  22.961   2.953
   35    HA   GLU   4           HA       GLU   4 -12.744  21.983   2.710
   36   1HB   GLU   4          2HB       GLU   4 -12.462  22.996   4.982
   37   2HB   GLU   4          1HB       GLU   4 -12.912  21.447   5.677
   38   1HG   GLU   4          2HG       GLU   4 -10.955  20.405   4.850
   39   2HG   GLU   4          1HG       GLU   4 -10.574  21.791   3.823
   40    H    GLU   5           H        GLU   5 -14.053  20.429   1.518
   41    HA   GLU   5           HA       GLU   5 -14.874  18.391   0.948
   42   1HB   GLU   5          2HB       GLU   5 -13.211  16.632   0.977
   43   2HB   GLU   5          1HB       GLU   5 -12.465  18.168   0.578
   44   1HG   GLU   5          2HG       GLU   5 -11.481  18.336   2.739
   45   2HG   GLU   5          1HG       GLU   5 -12.399  16.949   3.327
   46    H    SER   6           H        SER   6 -14.329  15.835   2.101
   47    HA   SER   6           HA       SER   6 -15.673  15.969   4.706
   48   1HB   SER   6          2HB       SER   6 -16.370  13.946   2.560
   49   2HB   SER   6          1HB       SER   6 -17.181  14.186   4.105
   50    HG   SER   6           HG       SER   6 -17.403  16.483   3.097
   51    H    ARG   7           H        ARG   7 -14.176  13.752   2.374
   52    HA   ARG   7           HA       ARG   7 -11.997  13.038   3.969
   53   1HB   ARG   7          2HB       ARG   7 -12.649  10.647   4.439
   54   2HB   ARG   7          1HB       ARG   7 -13.475  11.845   5.423
   55   1HG   ARG   7          2HG       ARG   7 -15.452  11.661   3.986
   56   2HG   ARG   7          1HG       ARG   7 -14.621  10.448   3.010
   57   1HD   ARG   7          2HD       ARG   7 -16.114   9.364   4.575
   58   2HD   ARG   7          1HD       ARG   7 -14.440   9.006   4.996
   59    HE   ARG   7           HE       ARG   7 -14.691  10.784   6.739
   60   1HH1  ARG   7          1HH1      ARG   7 -17.514   9.126   5.474
   61   2HH1  ARG   7          2HH1      ARG   7 -18.429   9.307   6.946
   62   1HH2  ARG   7          1HH2      ARG   7 -15.883  11.037   8.650
   63   2HH2  ARG   7          2HH2      ARG   7 -17.508  10.421   8.756
   64    H    SER   8           H        SER   8 -11.473  13.713   1.708
   65    HA   SER   8           HA       SER   8 -12.161  11.842  -0.396
   66   1HB   SER   8          2HB       SER   8 -10.366  14.266  -0.553
   67   2HB   SER   8          1HB       SER   8 -11.157  13.437  -1.894
   68    HG   SER   8           HG       SER   8 -12.126  15.471  -0.873
   69    H    VAL   9           H        VAL   9 -10.329  11.083   1.843
   70    HA   VAL   9           HA       VAL   9  -8.186  10.029   0.153
   71    HB   VAL   9           HB       VAL   9  -6.617  10.249   2.161
   72   1HG1  VAL   9          1HG1      VAL   9  -6.345  11.561   0.132
   73   2HG1  VAL   9          2HG1      VAL   9  -5.967  12.531   1.554
   74   3HG1  VAL   9          3HG1      VAL   9  -7.509  12.746   0.727
   75   1HG2  VAL   9          1HG2      VAL   9  -7.077  12.115   3.690
   76   2HG2  VAL   9          2HG2      VAL   9  -8.271  10.829   3.850
   77   3HG2  VAL   9          3HG2      VAL   9  -8.676  12.300   2.969
   78    HA   PRO  10           HA       PRO  10  -9.771   6.318   2.166
   79   1HB   PRO  10          2HB       PRO  10  -7.827   5.034   0.364
   80   2HB   PRO  10          1HB       PRO  10  -9.570   4.783   0.491
   81   1HG   PRO  10          2HG       PRO  10  -8.479   6.043  -1.616
   82   2HG   PRO  10          1HG       PRO  10 -10.060   6.512  -0.962
   83   1HD   PRO  10          2HD       PRO  10  -7.388   7.813  -0.570
   84   2HD   PRO  10          1HD       PRO  10  -8.976   8.560  -0.848
   85    H    VAL  11           H        VAL  11  -6.462   7.257   1.520
   86    HA   VAL  11           HA       VAL  11  -5.651   6.093   4.083
   87    HB   VAL  11           HB       VAL  11  -3.425   5.547   3.117
   88   1HG1  VAL  11          1HG1      VAL  11  -5.091   3.795   3.371
   89   2HG1  VAL  11          2HG1      VAL  11  -4.104   3.516   1.937
   90   3HG1  VAL  11          3HG1      VAL  11  -5.738   4.160   1.771
   91   1HG2  VAL  11          1HG2      VAL  11  -3.445   7.069   1.218
   92   2HG2  VAL  11          2HG2      VAL  11  -4.752   6.149   0.474
   93   3HG2  VAL  11          3HG2      VAL  11  -3.162   5.414   0.679
   94    H    GLU  12           H        GLU  12  -3.928   7.252   5.121
   95    HA   GLU  12           HA       GLU  12  -3.557   9.965   4.044
   96   1HB   GLU  12          2HB       GLU  12  -5.069   9.305   6.275
   97   2HB   GLU  12          1HB       GLU  12  -3.536   9.838   6.953
   98   1HG   GLU  12          2HG       GLU  12  -5.164  11.413   4.973
   99   2HG   GLU  12          1HG       GLU  12  -5.226  11.636   6.721
  100    H    GLU  13           H        GLU  13  -1.674  11.075   4.758
  101    HA   GLU  13           HA       GLU  13   0.645   9.458   4.687
  102   1HB   GLU  13          2HB       GLU  13   0.403  12.378   5.428
  103   2HB   GLU  13          1HB       GLU  13   1.876  11.546   4.945
  104   1HG   GLU  13          2HG       GLU  13   0.937  11.122   2.749
  105   2HG   GLU  13          1HG       GLU  13  -0.559  11.926   3.224
  106    H    GLY  14           H        GLY  14   1.613   8.405   6.264
  107   1HA   GLY  14          2HA       GLY  14   2.711   8.246   8.338
  108   2HA   GLY  14          1HA       GLY  14   1.752   9.594   8.933
  109    H    GLU  15           H        GLU  15   0.163   7.048   7.244
  110    HA   GLU  15           HA       GLU  15  -0.973   6.136   9.811
  111   1HB   GLU  15          2HB       GLU  15  -2.276   6.291   7.095
  112   2HB   GLU  15          1HB       GLU  15  -3.005   5.528   8.496
  113   1HG   GLU  15          2HG       GLU  15  -2.182   8.416   8.397
  114   2HG   GLU  15          1HG       GLU  15  -3.808   7.834   8.044
  115    H    VAL  16           H        VAL  16  -1.862   3.872   9.693
  116    HA   VAL  16           HA       VAL  16  -0.118   2.183   8.041
  117    HB   VAL  16           HB       VAL  16   0.877   2.383  10.290
  118   1HG1  VAL  16          1HG1      VAL  16  -1.666   1.100  11.264
  119   2HG1  VAL  16          2HG1      VAL  16  -1.127   2.744  11.603
  120   3HG1  VAL  16          3HG1      VAL  16  -0.213   1.370  12.226
  121   1HG2  VAL  16          1HG2      VAL  16   1.302   0.384   9.045
  122   2HG2  VAL  16          2HG2      VAL  16  -0.218  -0.330   9.588
  123   3HG2  VAL  16          3HG2      VAL  16   1.085  -0.041  10.743
  124    H    TYR  17           H        TYR  17  -1.086   0.468   7.137
  125    HA   TYR  17           HA       TYR  17  -3.777  -0.286   8.058
  126   1HB   TYR  17          2HB       TYR  17  -3.055   0.209   5.154
  127   2HB   TYR  17          1HB       TYR  17  -4.627  -0.283   5.775
  128    HD1  TYR  17           HD1      TYR  17  -6.068   1.342   6.932
  129    HD2  TYR  17           HD2      TYR  17  -2.318   2.500   5.284
  130    HE1  TYR  17           HE1      TYR  17  -6.728   3.707   7.094
  131    HE2  TYR  17           HE2      TYR  17  -2.971   4.864   5.445
  132    HH   TYR  17           HH       TYR  17  -5.691   5.906   7.209
  133    H    ASP  18           H        ASP  18  -4.406  -2.417   7.469
  134    HA   ASP  18           HA       ASP  18  -2.190  -4.171   6.747
  135   1HB   ASP  18          2HB       ASP  18  -3.669  -6.017   7.379
  136   2HB   ASP  18          1HB       ASP  18  -3.580  -4.829   8.671
  137    H    VAL  19           H        VAL  19  -1.944  -4.947   4.741
  138    HA   VAL  19           HA       VAL  19  -4.209  -4.723   2.880
  139    HB   VAL  19           HB       VAL  19  -2.708  -3.844   1.137
  140   1HG1  VAL  19          1HG1      VAL  19  -2.816  -2.170   3.640
  141   2HG1  VAL  19          2HG1      VAL  19  -4.065  -2.287   2.401
  142   3HG1  VAL  19          3HG1      VAL  19  -2.507  -1.558   2.016
  143   1HG2  VAL  19          1HG2      VAL  19  -0.694  -3.630   3.374
  144   2HG2  VAL  19          2HG2      VAL  19  -0.509  -2.938   1.762
  145   3HG2  VAL  19          3HG2      VAL  19  -0.587  -4.688   1.968
  146    H    THR  20           H        THR  20  -4.084  -6.030   1.032
  147    HA   THR  20           HA       THR  20  -2.134  -8.227   1.175
  148    HB   THR  20           HB       THR  20  -4.855  -8.213  -0.164
  149    HG1  THR  20           HG1      THR  20  -4.648 -10.007   1.808
  150   1HG2  THR  20          1HG2      THR  20  -4.480 -10.639  -0.388
  151   2HG2  THR  20          2HG2      THR  20  -2.857 -10.437   0.273
  152   3HG2  THR  20          3HG2      THR  20  -3.280  -9.701  -1.274
  153    H    ILE  21           H        ILE  21  -0.632  -8.216  -0.376
  154    HA   ILE  21           HA       ILE  21  -0.750  -6.452  -2.616
  155    HB   ILE  21           HB       ILE  21   1.074  -8.829  -2.187
  156   1HG1  ILE  21          2HG1      ILE  21   1.318  -7.237  -0.366
  157   2HG1  ILE  21          1HG1      ILE  21   2.719  -7.123  -1.426
  158   1HG2  ILE  21          1HG2      ILE  21   1.335  -6.461  -4.032
  159   2HG2  ILE  21          2HG2      ILE  21   0.983  -8.121  -4.515
  160   3HG2  ILE  21          3HG2      ILE  21   2.548  -7.721  -3.801
  161   1HD1  ILE  21          1HD1      ILE  21   0.366  -5.248  -1.442
  162   2HD1  ILE  21          2HD1      ILE  21   1.812  -5.121  -2.443
  163   3HD1  ILE  21          3HD1      ILE  21   1.932  -4.931  -0.693
  164    H    GLN  22           H        GLN  22  -2.494  -6.837  -3.887
  165    HA   GLN  22           HA       GLN  22  -3.183  -9.550  -4.649
  166   1HB   GLN  22          2HB       GLN  22  -4.937  -7.909  -4.053
  167   2HB   GLN  22          1HB       GLN  22  -4.467  -6.924  -5.431
  168   1HG   GLN  22          2HG       GLN  22  -6.447  -8.212  -5.935
  169   2HG   GLN  22          1HG       GLN  22  -5.099  -8.736  -6.943
  170   1HE2  GLN  22          1HE2      GLN  22  -4.185 -10.769  -6.592
  171   2HE2  GLN  22          2HE2      GLN  22  -5.000 -11.990  -5.676
  172    H    ASP  23           H        ASP  23  -1.751  -6.686  -6.036
  173    HA   ASP  23           HA       ASP  23  -1.228  -8.200  -8.507
  174   1HB   ASP  23          2HB       ASP  23  -2.950  -6.446  -8.889
  175   2HB   ASP  23          1HB       ASP  23  -1.819  -5.231  -8.304
  176    H    ILE  24           H        ILE  24   0.721  -7.386  -9.656
  177    HA   ILE  24           HA       ILE  24   2.512  -5.784  -8.039
  178    HB   ILE  24           HB       ILE  24   2.927  -8.369  -7.715
  179   1HG1  ILE  24          2HG1      ILE  24   5.218  -6.536  -8.427
  180   2HG1  ILE  24          1HG1      ILE  24   4.339  -6.476  -6.904
  181   1HG2  ILE  24          1HG2      ILE  24   2.992  -8.861 -10.149
  182   2HG2  ILE  24          2HG2      ILE  24   4.444  -9.368  -9.286
  183   3HG2  ILE  24          3HG2      ILE  24   4.467  -7.900 -10.263
  184   1HD1  ILE  24          1HD1      ILE  24   5.080  -8.724  -6.371
  185   2HD1  ILE  24          2HD1      ILE  24   6.454  -7.670  -6.701
  186   3HD1  ILE  24          3HD1      ILE  24   5.918  -8.828  -7.919
  187    H    ALA  25           H        ALA  25   3.636  -4.394  -9.283
  188    HA   ALA  25           HA       ALA  25   2.786  -4.199 -12.018
  189   1HB   ALA  25          1HB       ALA  25   3.015  -2.239 -10.552
  190   2HB   ALA  25          2HB       ALA  25   3.968  -2.092 -12.030
  191   3HB   ALA  25          3HB       ALA  25   4.759  -2.499 -10.507
  192    H    ARG  26           H        ARG  26   4.343  -3.848 -13.804
  193    HA   ARG  26           HA       ARG  26   6.206  -5.997 -13.946
  194   1HB   ARG  26          2HB       ARG  26   4.883  -4.881 -15.843
  195   2HB   ARG  26          1HB       ARG  26   6.116  -3.631 -15.811
  196   1HG   ARG  26          2HG       ARG  26   7.811  -5.170 -16.446
  197   2HG   ARG  26          1HG       ARG  26   6.726  -6.546 -16.222
  198   1HD   ARG  26          2HD       ARG  26   6.420  -4.360 -18.278
  199   2HD   ARG  26          1HD       ARG  26   6.985  -6.001 -18.588
  200    HE   ARG  26           HE       ARG  26   4.753  -6.775 -17.954
  201   1HH1  ARG  26          1HH1      ARG  26   5.137  -3.395 -18.760
  202   2HH1  ARG  26          2HH1      ARG  26   3.457  -3.162 -19.159
  203   1HH2  ARG  26          1HH2      ARG  26   2.538  -6.492 -18.502
  204   2HH2  ARG  26          2HH2      ARG  26   1.980  -4.923 -19.013
  205    H    GLN  27           H        GLN  27   6.344  -2.866 -12.724
  206    HA   GLN  27           HA       GLN  27   9.148  -2.395 -12.859
  207   1HB   GLN  27          2HB       GLN  27   7.438  -0.641 -12.449
  208   2HB   GLN  27          1HB       GLN  27   7.083  -1.375 -10.895
  209   1HG   GLN  27          2HG       GLN  27   9.315  -0.856 -10.109
  210   2HG   GLN  27          1HG       GLN  27   9.733  -0.188 -11.688
  211   1HE2  GLN  27          1HE2      GLN  27  10.202   1.827 -10.770
  212   2HE2  GLN  27          2HE2      GLN  27   8.954   2.895 -10.234
  213    H    GLY  28           H        GLY  28   7.157  -4.499 -11.065
  214   1HA   GLY  28          2HA       GLY  28   7.889  -6.291  -9.778
  215   2HA   GLY  28          1HA       GLY  28   9.470  -5.549  -9.660
  216    H    ASP  29           H        ASP  29   6.837  -3.506  -8.915
  217    HA   ASP  29           HA       ASP  29   7.433  -3.807  -6.056
  218   1HB   ASP  29          2HB       ASP  29   6.304  -1.469  -7.601
  219   2HB   ASP  29          1HB       ASP  29   6.374  -1.529  -5.843
  220    H    GLY  30           H        GLY  30   5.783  -4.017  -4.568
  221   1HA   GLY  30          2HA       GLY  30   3.595  -5.581  -5.478
  222   2HA   GLY  30          1HA       GLY  30   3.875  -5.050  -3.828
  223    H    ILE  31           H        ILE  31   1.539  -5.083  -5.872
  224    HA   ILE  31           HA       ILE  31   0.770  -2.261  -5.617
  225    HB   ILE  31           HB       ILE  31  -0.323  -4.408  -7.448
  226   1HG1  ILE  31          2HG1      ILE  31   1.890  -3.609  -8.118
  227   2HG1  ILE  31          1HG1      ILE  31   0.663  -3.049  -9.248
  228   1HG2  ILE  31          1HG2      ILE  31  -2.082  -2.870  -6.773
  229   2HG2  ILE  31          2HG2      ILE  31  -1.656  -2.622  -8.466
  230   3HG2  ILE  31          3HG2      ILE  31  -1.079  -1.495  -7.238
  231   1HD1  ILE  31          1HD1      ILE  31   0.690  -0.853  -8.168
  232   2HD1  ILE  31          2HD1      ILE  31   2.276  -1.308  -8.789
  233   3HD1  ILE  31          3HD1      ILE  31   1.940  -1.422  -7.061
  234    H    ALA  32           H        ALA  32  -0.329  -1.948  -3.824
  235    HA   ALA  32           HA       ALA  32  -2.354  -3.909  -3.004
  236   1HB   ALA  32          1HB       ALA  32  -0.799  -3.227  -1.262
  237   2HB   ALA  32          2HB       ALA  32  -2.425  -2.650  -0.891
  238   3HB   ALA  32          3HB       ALA  32  -1.215  -1.533  -1.528
  239    H    ARG  33           H        ARG  33  -4.521  -3.226  -2.661
  240    HA   ARG  33           HA       ARG  33  -5.204  -0.571  -3.676
  241   1HB   ARG  33          2HB       ARG  33  -7.162  -1.663  -4.907
  242   2HB   ARG  33          1HB       ARG  33  -5.570  -1.791  -5.638
  243   1HG   ARG  33          2HG       ARG  33  -5.347  -4.055  -4.968
  244   2HG   ARG  33          1HG       ARG  33  -6.770  -3.953  -3.931
  245   1HD   ARG  33          2HD       ARG  33  -6.910  -3.516  -6.902
  246   2HD   ARG  33          1HD       ARG  33  -7.043  -5.118  -6.175
  247    HE   ARG  33           HE       ARG  33  -8.883  -2.923  -5.463
  248   1HH1  ARG  33          1HH1      ARG  33  -8.278  -6.178  -6.565
  249   2HH1  ARG  33          2HH1      ARG  33  -9.936  -6.682  -6.411
  250   1HH2  ARG  33          1HH2      ARG  33 -11.086  -3.560  -5.280
  251   2HH2  ARG  33          2HH2      ARG  33 -11.527  -5.199  -5.678
  252    H    ILE  34           H        ILE  34  -6.243   0.380  -2.098
  253    HA   ILE  34           HA       ILE  34  -8.089  -1.218  -0.462
  254    HB   ILE  34           HB       ILE  34  -6.848   1.473   0.113
  255   1HG1  ILE  34          2HG1      ILE  34  -6.520  -1.268   1.344
  256   2HG1  ILE  34          1HG1      ILE  34  -5.316  -0.374   0.422
  257   1HG2  ILE  34          1HG2      ILE  34  -7.990   1.370   2.278
  258   2HG2  ILE  34          2HG2      ILE  34  -8.797  -0.119   1.786
  259   3HG2  ILE  34          3HG2      ILE  34  -9.151   1.393   0.950
  260   1HD1  ILE  34          1HD1      ILE  34  -4.848  -0.295   2.796
  261   2HD1  ILE  34          2HD1      ILE  34  -6.438   0.410   3.092
  262   3HD1  ILE  34          3HD1      ILE  34  -5.230   1.312   2.176
  263    H    GLU  35           H        GLU  35  -9.983  -1.232  -1.285
  264    HA   GLU  35           HA       GLU  35 -11.913  -0.657  -2.338
  265   1HB   GLU  35          2HB       GLU  35 -11.320   1.596  -0.486
  266   2HB   GLU  35          1HB       GLU  35 -12.650   1.793  -1.620
  267   1HG   GLU  35          2HG       GLU  35 -13.340   0.935   0.595
  268   2HG   GLU  35          1HG       GLU  35 -13.776  -0.118  -0.748
  269    H    GLY  36           H        GLY  36  -9.405  -0.037  -3.790
  270   1HA   GLY  36          2HA       GLY  36  -9.727   0.502  -6.178
  271   2HA   GLY  36          1HA       GLY  36 -10.558   1.953  -5.640
  272    H    PHE  37           H        PHE  37  -8.589   2.454  -3.493
  273    HA   PHE  37           HA       PHE  37  -6.809   4.015  -5.116
  274   1HB   PHE  37          2HB       PHE  37  -7.834   4.615  -2.801
  275   2HB   PHE  37          1HB       PHE  37  -6.491   3.684  -2.145
  276    HD1  PHE  37           HD1      PHE  37  -4.209   4.496  -2.330
  277    HD2  PHE  37           HD2      PHE  37  -7.476   6.715  -3.918
  278    HE1  PHE  37           HE1      PHE  37  -2.761   6.473  -2.549
  279    HE2  PHE  37           HE2      PHE  37  -6.031   8.693  -4.138
  280    HZ   PHE  37           HZ       PHE  37  -3.670   8.573  -3.453
  281    H    VAL  38           H        VAL  38  -4.841   3.507  -5.788
  282    HA   VAL  38           HA       VAL  38  -3.792   0.897  -5.091
  283    HB   VAL  38           HB       VAL  38  -3.924   1.412  -7.443
  284   1HG1  VAL  38          1HG1      VAL  38  -2.088   3.735  -6.884
  285   2HG1  VAL  38          2HG1      VAL  38  -3.792   3.836  -7.332
  286   3HG1  VAL  38          3HG1      VAL  38  -2.616   3.192  -8.478
  287   1HG2  VAL  38          1HG2      VAL  38  -2.079  -0.014  -6.768
  288   2HG2  VAL  38          2HG2      VAL  38  -1.058   1.398  -6.501
  289   3HG2  VAL  38          3HG2      VAL  38  -1.600   0.998  -8.131
  290    H    ILE  39           H        ILE  39  -1.985   0.493  -3.987
  291    HA   ILE  39           HA       ILE  39  -0.314   2.770  -3.125
  292    HB   ILE  39           HB       ILE  39  -0.903   0.304  -1.473
  293   1HG1  ILE  39          2HG1      ILE  39  -2.044   3.093  -1.177
  294   2HG1  ILE  39          1HG1      ILE  39  -2.935   1.688  -1.745
  295   1HG2  ILE  39          1HG2      ILE  39   0.129   1.590   0.340
  296   2HG2  ILE  39          2HG2      ILE  39   0.457   2.908  -0.786
  297   3HG2  ILE  39          3HG2      ILE  39   1.243   1.344  -1.004
  298   1HD1  ILE  39          1HD1      ILE  39  -2.632   0.614   0.420
  299   2HD1  ILE  39          2HD1      ILE  39  -3.435   2.178   0.579
  300   3HD1  ILE  39          3HD1      ILE  39  -1.728   2.016   0.990
  301    H    PHE  40           H        PHE  40   1.822   2.533  -3.486
  302    HA   PHE  40           HA       PHE  40   2.767   0.014  -4.624
  303   1HB   PHE  40          2HB       PHE  40   3.916   2.796  -4.521
  304   2HB   PHE  40          1HB       PHE  40   4.888   1.415  -5.014
  305    HD1  PHE  40           HD1      PHE  40   4.883   0.715  -7.213
  306    HD2  PHE  40           HD2      PHE  40   1.733   3.215  -5.826
  307    HE1  PHE  40           HE1      PHE  40   4.049   0.933  -9.517
  308    HE2  PHE  40           HE2      PHE  40   0.893   3.439  -8.128
  309    HZ   PHE  40           HZ       PHE  40   2.052   2.299  -9.977
  310    H    VAL  41           H        VAL  41   3.701  -1.441  -3.385
  311    HA   VAL  41           HA       VAL  41   5.224  -0.524  -1.032
  312    HB   VAL  41           HB       VAL  41   3.807  -3.184  -1.263
  313   1HG1  VAL  41          1HG1      VAL  41   4.237  -3.303   1.162
  314   2HG1  VAL  41          2HG1      VAL  41   5.135  -1.787   1.060
  315   3HG1  VAL  41          3HG1      VAL  41   5.723  -3.220   0.217
  316   1HG2  VAL  41          1HG2      VAL  41   2.145  -1.414  -1.194
  317   2HG2  VAL  41          2HG2      VAL  41   2.934  -0.703   0.215
  318   3HG2  VAL  41          3HG2      VAL  41   2.175  -2.290   0.335
  319    HA   PRO  42           HA       PRO  42   8.327  -2.315  -3.800
  320   1HB   PRO  42          2HB       PRO  42  10.176  -1.142  -1.828
  321   2HB   PRO  42          1HB       PRO  42  10.051  -0.848  -3.564
  322   1HG   PRO  42          2HG       PRO  42   9.276   0.986  -1.768
  323   2HG   PRO  42          1HG       PRO  42   8.421   0.769  -3.307
  324   1HD   PRO  42          2HD       PRO  42   7.675  -0.195  -0.572
  325   2HD   PRO  42          1HD       PRO  42   6.646   0.506  -1.838
  326    H    GLY  43           H        GLY  43   8.936  -4.384  -3.690
  327   1HA   GLY  43          2HA       GLY  43  10.530  -5.951  -2.842
  328   2HA   GLY  43          1HA       GLY  43  10.277  -5.289  -1.238
  329    H    THR  44           H        THR  44   7.235  -5.521  -2.298
  330    HA   THR  44           HA       THR  44   6.889  -8.020  -0.853
  331    HB   THR  44           HB       THR  44   4.437  -7.451  -1.034
  332    HG1  THR  44           HG1      THR  44   5.188  -4.828  -1.717
  333   1HG2  THR  44          1HG2      THR  44   5.705  -6.931   0.974
  334   2HG2  THR  44          2HG2      THR  44   4.567  -5.630   0.628
  335   3HG2  THR  44          3HG2      THR  44   6.277  -5.429   0.250
  336    H    LYS  45           H        LYS  45   5.499  -9.721  -1.605
  337    HA   LYS  45           HA       LYS  45   5.538  -9.984  -4.543
  338   1HB   LYS  45          2HB       LYS  45   6.950 -11.601  -3.281
  339   2HB   LYS  45          1HB       LYS  45   5.515 -12.158  -2.433
  340   1HG   LYS  45          2HG       LYS  45   4.555 -12.854  -4.606
  341   2HG   LYS  45          1HG       LYS  45   6.068 -12.392  -5.382
  342   1HD   LYS  45          2HD       LYS  45   6.111 -14.751  -5.023
  343   2HD   LYS  45          1HD       LYS  45   7.247 -14.011  -3.895
  344   1HE   LYS  45          2HE       LYS  45   5.956 -15.744  -2.786
  345   2HE   LYS  45          1HE       LYS  45   5.562 -14.161  -2.117
  346   1HZ   LYS  45          1HZ       LYS  45   3.935 -15.474  -4.224
  347   2HZ   LYS  45          2HZ       LYS  45   3.520 -14.133  -3.281
  348   3HZ   LYS  45          3HZ       LYS  45   3.625 -15.664  -2.567
  349    H    VAL  46           H        VAL  46   3.707 -11.130  -5.505
  350    HA   VAL  46           HA       VAL  46   1.212 -10.236  -4.603
  351    HB   VAL  46           HB       VAL  46   1.795 -12.561  -6.446
  352   1HG1  VAL  46          1HG1      VAL  46  -0.474 -12.203  -7.297
  353   2HG1  VAL  46          2HG1      VAL  46  -0.739 -10.975  -6.059
  354   3HG1  VAL  46          3HG1      VAL  46  -0.479 -12.655  -5.593
  355   1HG2  VAL  46          1HG2      VAL  46   1.353 -10.923  -8.243
  356   2HG2  VAL  46          2HG2      VAL  46   2.782 -10.531  -7.286
  357   3HG2  VAL  46          3HG2      VAL  46   1.275  -9.649  -7.025
  358    H    GLY  47           H        GLY  47  -0.064 -10.916  -3.041
  359   1HA   GLY  47          2HA       GLY  47  -1.267 -12.715  -1.977
  360   2HA   GLY  47          1HA       GLY  47   0.175 -13.710  -2.138
  361    H    ASP  48           H        ASP  48   1.614 -11.032  -1.294
  362    HA   ASP  48           HA       ASP  48   1.906 -11.792   1.425
  363   1HB   ASP  48          2HB       ASP  48   2.943  -9.521  -0.224
  364   2HB   ASP  48          1HB       ASP  48   3.078  -9.439   1.529
  365    H    GLU  49           H        GLU  49   0.535 -11.440   2.983
  366    HA   GLU  49           HA       GLU  49  -1.142  -9.033   2.890
  367   1HB   GLU  49          2HB       GLU  49  -1.511 -11.555   4.523
  368   2HB   GLU  49          1HB       GLU  49  -2.617 -10.187   4.470
  369   1HG   GLU  49          2HG       GLU  49  -2.989 -10.595   2.085
  370   2HG   GLU  49          1HG       GLU  49  -1.914 -11.988   2.166
  371    H    VAL  50           H        VAL  50   0.042  -7.483   3.824
  372    HA   VAL  50           HA       VAL  50   1.149  -8.024   6.490
  373    HB   VAL  50           HB       VAL  50   3.169  -6.704   5.941
  374   1HG1  VAL  50          1HG1      VAL  50   2.730  -9.113   4.183
  375   2HG1  VAL  50          2HG1      VAL  50   3.293  -9.122   5.852
  376   3HG1  VAL  50          3HG1      VAL  50   4.298  -8.415   4.589
  377   1HG2  VAL  50          1HG2      VAL  50   3.731  -6.252   3.601
  378   2HG2  VAL  50          2HG2      VAL  50   2.276  -5.387   4.097
  379   3HG2  VAL  50          3HG2      VAL  50   2.144  -6.842   3.105
  380    H    ARG  51           H        ARG  51   1.922  -5.884   7.487
  381    HA   ARG  51           HA       ARG  51  -0.160  -3.877   7.018
  382   1HB   ARG  51          2HB       ARG  51   1.621  -4.336   9.422
  383   2HB   ARG  51          1HB       ARG  51   0.418  -3.057   9.287
  384   1HG   ARG  51          2HG       ARG  51  -1.351  -4.708   9.100
  385   2HG   ARG  51          1HG       ARG  51  -0.163  -6.008   9.173
  386   1HD   ARG  51          2HD       ARG  51  -1.245  -5.696  11.328
  387   2HD   ARG  51          1HD       ARG  51   0.471  -5.299  11.426
  388    HE   ARG  51           HE       ARG  51  -0.068  -3.082  11.798
  389   1HH1  ARG  51          1HH1      ARG  51  -2.946  -4.934  11.023
  390   2HH1  ARG  51          2HH1      ARG  51  -4.042  -3.665  11.492
  391   1HH2  ARG  51          1HH2      ARG  51  -1.499  -1.436  12.443
  392   2HH2  ARG  51          2HH2      ARG  51  -3.217  -1.676  12.323
  393    H    ILE  52           H        ILE  52   0.343  -1.967   6.208
  394    HA   ILE  52           HA       ILE  52   3.209  -1.366   5.870
  395    HB   ILE  52           HB       ILE  52   2.618  -0.189   3.788
  396   1HG1  ILE  52          2HG1      ILE  52  -0.120  -1.425   4.147
  397   2HG1  ILE  52          1HG1      ILE  52   0.244   0.275   4.421
  398   1HG2  ILE  52          1HG2      ILE  52   3.402  -2.488   3.699
  399   2HG2  ILE  52          2HG2      ILE  52   2.214  -2.190   2.431
  400   3HG2  ILE  52          3HG2      ILE  52   1.750  -3.076   3.883
  401   1HD1  ILE  52          1HD1      ILE  52   0.844   0.539   2.087
  402   2HD1  ILE  52          2HD1      ILE  52  -0.789  -0.108   2.247
  403   3HD1  ILE  52          3HD1      ILE  52   0.542  -1.174   1.802
  404    H    LYS  53           H        LYS  53   3.924   0.669   6.199
  405    HA   LYS  53           HA       LYS  53   2.068   2.536   7.482
  406   1HB   LYS  53          2HB       LYS  53   4.040   2.094   8.787
  407   2HB   LYS  53          1HB       LYS  53   5.085   2.366   7.404
  408   1HG   LYS  53          2HG       LYS  53   5.372   4.413   8.189
  409   2HG   LYS  53          1HG       LYS  53   3.729   4.756   7.658
  410   1HD   LYS  53          2HD       LYS  53   4.318   3.591  10.367
  411   2HD   LYS  53          1HD       LYS  53   4.356   5.330  10.076
  412   1HE   LYS  53          2HE       LYS  53   2.011   5.103   9.167
  413   2HE   LYS  53          1HE       LYS  53   2.021   3.455   9.796
  414   1HZ   LYS  53          1HZ       LYS  53   1.008   5.157  11.299
  415   2HZ   LYS  53          2HZ       LYS  53   2.550   5.842  11.481
  416   3HZ   LYS  53          3HZ       LYS  53   2.260   4.253  12.000
  417    H    VAL  54           H        VAL  54   1.053   3.675   5.947
  418    HA   VAL  54           HA       VAL  54   2.245   4.454   3.476
  419    HB   VAL  54           HB       VAL  54  -0.214   5.604   4.820
  420   1HG1  VAL  54          1HG1      VAL  54  -0.858   6.312   2.575
  421   2HG1  VAL  54          2HG1      VAL  54   0.652   5.671   1.930
  422   3HG1  VAL  54          3HG1      VAL  54   0.678   7.035   3.049
  423   1HG2  VAL  54          1HG2      VAL  54   0.070   3.329   2.860
  424   2HG2  VAL  54          2HG2      VAL  54  -1.464   4.057   3.344
  425   3HG2  VAL  54          3HG2      VAL  54  -0.467   3.221   4.536
  426    H    GLU  55           H        GLU  55   3.855   5.838   3.400
  427    HA   GLU  55           HA       GLU  55   4.165   7.783   5.540
  428   1HB   GLU  55          2HB       GLU  55   6.464   8.070   4.389
  429   2HB   GLU  55          1HB       GLU  55   6.142   6.602   5.291
  430   1HG   GLU  55          2HG       GLU  55   5.564   5.495   3.131
  431   2HG   GLU  55          1HG       GLU  55   6.110   6.956   2.307
  432    H    ARG  56           H        ARG  56   3.501   7.674   2.111
  433    HA   ARG  56           HA       ARG  56   2.697  10.440   2.279
  434   1HB   ARG  56          2HB       ARG  56   5.035  10.711   1.613
  435   2HB   ARG  56          1HB       ARG  56   4.792   9.608   0.262
  436   1HG   ARG  56          2HG       ARG  56   3.213  11.154  -0.745
  437   2HG   ARG  56          1HG       ARG  56   3.384  12.245   0.628
  438   1HD   ARG  56          2HD       ARG  56   5.686  12.662   0.069
  439   2HD   ARG  56          1HD       ARG  56   5.634  11.452  -1.215
  440    HE   ARG  56           HE       ARG  56   3.773  13.025  -2.114
  441   1HH1  ARG  56          1HH1      ARG  56   6.744  14.014  -0.548
  442   2HH1  ARG  56          2HH1      ARG  56   6.812  15.538  -1.378
  443   1HH2  ARG  56          1HH2      ARG  56   3.899  15.002  -3.240
  444   2HH2  ARG  56          2HH2      ARG  56   5.212  16.088  -2.924
  445    H    VAL  57           H        VAL  57   1.117  10.980   0.822
  446    HA   VAL  57           HA       VAL  57   0.247   8.828  -0.984
  447    HB   VAL  57           HB       VAL  57  -1.996   9.846  -0.936
  448   1HG1  VAL  57          1HG1      VAL  57  -1.463   8.059   0.632
  449   2HG1  VAL  57          2HG1      VAL  57  -2.598   9.205   1.343
  450   3HG1  VAL  57          3HG1      VAL  57  -0.897   9.246   1.807
  451   1HG2  VAL  57          1HG2      VAL  57  -0.819  11.714   1.123
  452   2HG2  VAL  57          2HG2      VAL  57  -2.532  11.568   0.736
  453   3HG2  VAL  57          3HG2      VAL  57  -1.402  12.158  -0.481
  454    H    LEU  58           H        LEU  58  -0.119   9.262  -3.104
  455    HA   LEU  58           HA       LEU  58   0.590  11.956  -4.061
  456   1HB   LEU  58          2HB       LEU  58   1.014   9.258  -5.369
  457   2HB   LEU  58          1HB       LEU  58   1.222  10.781  -6.206
  458    HG   LEU  58           HG       LEU  58   3.393  10.072  -5.628
  459   1HD1  LEU  58          1HD1      LEU  58   2.541  12.058  -3.530
  460   2HD1  LEU  58          2HD1      LEU  58   3.009  12.430  -5.189
  461   3HD1  LEU  58          3HD1      LEU  58   4.195  11.761  -4.068
  462   1HD2  LEU  58          1HD2      LEU  58   4.067   9.424  -3.361
  463   2HD2  LEU  58          2HD2      LEU  58   2.838   8.347  -4.021
  464   3HD2  LEU  58          3HD2      LEU  58   2.391   9.568  -2.829
  465    HA   PRO  59           HA       PRO  59  -3.316  12.625  -5.838
  466   1HB   PRO  59          2HB       PRO  59  -2.746  12.919  -8.562
  467   2HB   PRO  59          1HB       PRO  59  -2.729  14.195  -7.344
  468   1HG   PRO  59          2HG       PRO  59  -0.468  12.618  -8.473
  469   2HG   PRO  59          1HG       PRO  59  -0.516  14.319  -7.973
  470   1HD   PRO  59          2HD       PRO  59   0.668  12.460  -6.461
  471   2HD   PRO  59          1HD       PRO  59  -0.247  13.794  -5.729
  472    H    LYS  60           H        LYS  60  -1.435  10.097  -7.448
  473    HA   LYS  60           HA       LYS  60  -3.994   8.894  -8.280
  474   1HB   LYS  60          2HB       LYS  60  -1.349   8.766  -9.732
  475   2HB   LYS  60          1HB       LYS  60  -2.795   7.880 -10.195
  476   1HG   LYS  60          2HG       LYS  60  -2.513  10.878 -10.115
  477   2HG   LYS  60          1HG       LYS  60  -2.501   9.869 -11.562
  478   1HD   LYS  60          2HD       LYS  60  -4.787   9.165 -11.113
  479   2HD   LYS  60          1HD       LYS  60  -4.802  10.107  -9.621
  480   1HE   LYS  60          2HE       LYS  60  -4.450  12.154 -10.937
  481   2HE   LYS  60          1HE       LYS  60  -4.502  11.196 -12.417
  482   1HZ   LYS  60          1HZ       LYS  60  -6.715  11.446 -10.447
  483   2HZ   LYS  60          2HZ       LYS  60  -6.767  10.556 -11.892
  484   3HZ   LYS  60          3HZ       LYS  60  -6.633  12.246 -11.941
  485    H    PHE  61           H        PHE  61  -1.526   8.473  -6.129
  486    HA   PHE  61           HA       PHE  61  -2.128   5.745  -5.628
  487   1HB   PHE  61          2HB       PHE  61   0.060   4.748  -6.175
  488   2HB   PHE  61          1HB       PHE  61  -0.765   5.338  -7.610
  489    HD1  PHE  61           HD1      PHE  61   0.053   7.327  -8.783
  490    HD2  PHE  61           HD2      PHE  61   2.124   5.708  -5.435
  491    HE1  PHE  61           HE1      PHE  61   2.057   8.609  -9.408
  492    HE2  PHE  61           HE2      PHE  61   4.129   6.994  -6.051
  493    HZ   PHE  61           HZ       PHE  61   4.098   8.443  -8.040
  494    H    ALA  62           H        ALA  62  -0.799   4.853  -3.832
  495    HA   ALA  62           HA       ALA  62   0.382   7.033  -2.232
  496   1HB   ALA  62          1HB       ALA  62  -0.954   4.512  -1.259
  497   2HB   ALA  62          2HB       ALA  62  -1.641   6.133  -1.213
  498   3HB   ALA  62          3HB       ALA  62  -0.226   5.749  -0.237
  499    H    PHE  63           H        PHE  63   2.172   6.470  -0.851
  500    HA   PHE  63           HA       PHE  63   3.701   4.128  -1.791
  501   1HB   PHE  63          2HB       PHE  63   4.602   6.328  -2.611
  502   2HB   PHE  63          1HB       PHE  63   4.854   6.794  -0.935
  503    HD1  PHE  63           HD1      PHE  63   5.816   4.281  -3.480
  504    HD2  PHE  63           HD2      PHE  63   6.811   6.204   0.184
  505    HE1  PHE  63           HE1      PHE  63   8.040   3.233  -3.540
  506    HE2  PHE  63           HE2      PHE  63   9.037   5.153   0.135
  507    HZ   PHE  63           HZ       PHE  63   9.653   3.668  -1.728
  508    H    ALA  64           H        ALA  64   4.383   2.773  -0.205
  509    HA   ALA  64           HA       ALA  64   4.491   3.745   2.551
  510   1HB   ALA  64          1HB       ALA  64   2.696   1.474   1.694
  511   2HB   ALA  64          2HB       ALA  64   2.167   3.064   2.245
  512   3HB   ALA  64          3HB       ALA  64   3.000   1.977   3.356
  513    H    SER  65           H        SER  65   5.488   2.254   4.013
  514    HA   SER  65           HA       SER  65   7.128   0.205   2.685
  515   1HB   SER  65          2HB       SER  65   8.634   0.634   4.777
  516   2HB   SER  65          1HB       SER  65   8.665   1.791   3.446
  517    HG   SER  65           HG       SER  65   7.689   3.248   4.650
  518    H    VAL  66           H        VAL  66   7.723  -1.647   4.083
  519    HA   VAL  66           HA       VAL  66   5.329  -2.670   5.330
  520    HB   VAL  66           HB       VAL  66   8.016  -4.020   5.007
  521   1HG1  VAL  66          1HG1      VAL  66   5.266  -5.134   5.556
  522   2HG1  VAL  66          2HG1      VAL  66   6.625  -5.097   6.679
  523   3HG1  VAL  66          3HG1      VAL  66   6.704  -6.098   5.228
  524   1HG2  VAL  66          1HG2      VAL  66   5.585  -4.110   3.218
  525   2HG2  VAL  66          2HG2      VAL  66   7.035  -5.096   3.025
  526   3HG2  VAL  66          3HG2      VAL  66   7.126  -3.342   2.836
  527    H    VAL  67           H        VAL  67   4.902  -2.629   7.445
  528    HA   VAL  67           HA       VAL  67   7.165  -2.341   9.314
  529    HB   VAL  67           HB       VAL  67   5.587  -1.153  10.849
  530   1HG1  VAL  67          1HG1      VAL  67   5.713   0.992   9.675
  531   2HG1  VAL  67          2HG1      VAL  67   6.071   0.144   8.171
  532   3HG1  VAL  67          3HG1      VAL  67   7.209   0.073   9.517
  533   1HG2  VAL  67          1HG2      VAL  67   3.477  -1.920   9.904
  534   2HG2  VAL  67          2HG2      VAL  67   3.819  -1.055   8.405
  535   3HG2  VAL  67          3HG2      VAL  67   3.557  -0.157   9.902
  536    H    GLU  68           H        GLU  68   6.002  -4.766   8.343
  537    HA   GLU  68           HA       GLU  68   4.213  -5.969  10.120
  538   1HB   GLU  68          2HB       GLU  68   4.805  -6.967   7.964
  539   2HB   GLU  68          1HB       GLU  68   6.453  -7.222   8.515
  540   1HG   GLU  68          2HG       GLU  68   5.652  -8.794  10.203
  541   2HG   GLU  68          1HG       GLU  68   3.993  -8.523   9.669
  Start of MODEL    7
    1   1H    MET   1          1HT       MET   1  -5.876  22.221  10.098
    2   2H    MET   1          2HT       MET   1  -5.491  21.846   8.488
    3   3H    MET   1          3HT       MET   1  -5.324  20.669   9.691
    4    HA   MET   1           HA       MET   1  -7.299  20.371   8.287
    5   1HB   MET   1          2HB       MET   1  -7.691  20.917  11.231
    6   2HB   MET   1          1HB       MET   1  -8.893  20.125  10.220
    7   1HG   MET   1          2HG       MET   1  -6.114  19.129  10.807
    8   2HG   MET   1          1HG       MET   1  -7.623  18.492  11.462
    9   1HE   MET   1          1HE       MET   1  -6.818  16.049  10.676
   10   2HE   MET   1          2HE       MET   1  -5.351  16.735   9.977
   11   3HE   MET   1          3HE       MET   1  -6.371  15.664   9.014
   12    H    PHE   2           H        PHE   2  -6.712  23.140   7.804
   13    HA   PHE   2           HA       PHE   2  -9.113  24.594   8.504
   14   1HB   PHE   2          2HB       PHE   2  -8.170  26.446   7.214
   15   2HB   PHE   2          1HB       PHE   2  -6.982  25.816   8.345
   16    HD1  PHE   2           HD1      PHE   2  -5.048  24.541   7.524
   17    HD2  PHE   2           HD2      PHE   2  -7.832  26.340   4.855
   18    HE1  PHE   2           HE1      PHE   2  -3.427  24.319   5.688
   19    HE2  PHE   2           HE2      PHE   2  -6.218  26.115   3.012
   20    HZ   PHE   2           HZ       PHE   2  -4.012  25.103   3.430
   21    H    ARG   3           H        ARG   3 -10.475  25.564   6.796
   22    HA   ARG   3           HA       ARG   3 -11.981  25.294   5.102
   23   1HB   ARG   3          2HB       ARG   3 -10.164  23.169   3.938
   24   2HB   ARG   3          1HB       ARG   3 -11.500  23.969   3.128
   25   1HG   ARG   3          2HG       ARG   3  -8.979  25.332   4.044
   26   2HG   ARG   3          1HG       ARG   3  -9.290  24.764   2.404
   27   1HD   ARG   3          2HD       ARG   3 -11.216  26.271   2.259
   28   2HD   ARG   3          1HD       ARG   3 -10.881  26.848   3.893
   29    HE   ARG   3           HE       ARG   3  -8.709  27.087   1.980
   30   1HH1  ARG   3          1HH1      ARG   3 -11.461  28.669   3.474
   31   2HH1  ARG   3          2HH1      ARG   3 -10.830  30.268   3.218
   32   1HH2  ARG   3          1HH2      ARG   3  -7.885  29.193   1.660
   33   2HH2  ARG   3          2HH2      ARG   3  -8.806  30.569   2.204
   34    H    GLU   4           H        GLU   4 -13.735  23.871   4.617
   35    HA   GLU   4           HA       GLU   4 -14.001  21.735   6.565
   36   1HB   GLU   4          2HB       GLU   4 -16.348  21.595   5.674
   37   2HB   GLU   4          1HB       GLU   4 -15.912  23.150   6.367
   38   1HG   GLU   4          2HG       GLU   4 -15.578  24.069   4.143
   39   2HG   GLU   4          1HG       GLU   4 -15.957  22.504   3.426
   40    H    GLU   5           H        GLU   5 -12.115  20.759   5.225
   41    HA   GLU   5           HA       GLU   5 -13.019  19.451   2.793
   42   1HB   GLU   5          2HB       GLU   5 -10.738  18.912   2.380
   43   2HB   GLU   5          1HB       GLU   5 -10.753  20.561   2.988
   44   1HG   GLU   5          2HG       GLU   5 -10.135  19.706   5.218
   45   2HG   GLU   5          1HG       GLU   5 -10.043  18.082   4.536
   46    H    SER   6           H        SER   6 -13.687  17.430   2.702
   47    HA   SER   6           HA       SER   6 -12.938  15.601   4.880
   48   1HB   SER   6          2HB       SER   6 -14.931  14.253   4.146
   49   2HB   SER   6          1HB       SER   6 -15.347  15.846   4.779
   50    HG   SER   6           HG       SER   6 -16.465  15.335   2.830
   51    H    ARG   7           H        ARG   7 -13.693  15.723   1.440
   52    HA   ARG   7           HA       ARG   7 -12.779  14.837  -0.413
   53   1HB   ARG   7          2HB       ARG   7 -10.388  14.195   1.317
   54   2HB   ARG   7          1HB       ARG   7 -10.424  14.231  -0.444
   55   1HG   ARG   7          2HG       ARG   7 -11.032  16.638  -0.324
   56   2HG   ARG   7          1HG       ARG   7 -10.805  16.562   1.424
   57   1HD   ARG   7          2HD       ARG   7  -8.460  15.721   0.933
   58   2HD   ARG   7          1HD       ARG   7  -8.749  16.203  -0.741
   59    HE   ARG   7           HE       ARG   7  -8.441  17.964   1.579
   60   1HH1  ARG   7          1HH1      ARG   7  -9.039  17.641  -1.876
   61   2HH1  ARG   7          2HH1      ARG   7  -8.826  19.342  -2.182
   62   1HH2  ARG   7          1HH2      ARG   7  -8.151  20.163   1.157
   63   2HH2  ARG   7          2HH2      ARG   7  -8.314  20.769  -0.464
   64    H    SER   8           H        SER   8 -12.529  12.798   2.434
   65    HA   SER   8           HA       SER   8 -12.930  10.611   2.804
   66   1HB   SER   8          2HB       SER   8 -14.371  10.734   0.143
   67   2HB   SER   8          1HB       SER   8 -14.502   9.424   1.321
   68    HG   SER   8           HG       SER   8 -16.167  11.166   1.342
   69    H    VAL   9           H        VAL   9 -10.573  10.556   2.487
   70    HA   VAL   9           HA       VAL   9  -9.727   9.135   0.080
   71    HB   VAL   9           HB       VAL   9  -7.418   9.431   0.992
   72   1HG1  VAL   9          1HG1      VAL   9  -7.283  11.829   0.514
   73   2HG1  VAL   9          2HG1      VAL   9  -9.036  11.953   0.656
   74   3HG1  VAL   9          3HG1      VAL   9  -8.320  10.992  -0.638
   75   1HG2  VAL   9          1HG2      VAL   9  -7.072  11.018   2.825
   76   2HG2  VAL   9          2HG2      VAL   9  -7.967   9.594   3.358
   77   3HG2  VAL   9          3HG2      VAL   9  -8.817  11.113   3.070
   78    HA   PRO  10           HA       PRO  10  -9.796   5.232   2.147
   79   1HB   PRO  10          2HB       PRO  10  -7.985   3.893   0.607
   80   2HB   PRO  10          1HB       PRO  10  -9.645   4.220   0.100
   81   1HG   PRO  10          2HG       PRO  10  -7.125   5.643  -0.624
   82   2HG   PRO  10          1HG       PRO  10  -8.521   5.243  -1.641
   83   1HD   PRO  10          2HD       PRO  10  -8.099   7.723  -0.613
   84   2HD   PRO  10          1HD       PRO  10  -9.719   7.073  -0.931
   85    H    VAL  11           H        VAL  11  -6.735   6.861   1.539
   86    HA   VAL  11           HA       VAL  11  -5.684   5.726   4.027
   87    HB   VAL  11           HB       VAL  11  -3.434   5.499   3.000
   88   1HG1  VAL  11          1HG1      VAL  11  -4.844   3.534   3.260
   89   2HG1  VAL  11          2HG1      VAL  11  -3.869   3.419   1.795
   90   3HG1  VAL  11          3HG1      VAL  11  -5.577   3.840   1.686
   91   1HG2  VAL  11          1HG2      VAL  11  -3.246   5.416   0.541
   92   2HG2  VAL  11          2HG2      VAL  11  -3.669   7.023   1.132
   93   3HG2  VAL  11          3HG2      VAL  11  -4.908   5.992   0.415
   94    H    GLU  12           H        GLU  12  -4.019   7.001   5.012
   95    HA   GLU  12           HA       GLU  12  -3.722   9.726   3.946
   96   1HB   GLU  12          2HB       GLU  12  -3.905  10.595   6.276
   97   2HB   GLU  12          1HB       GLU  12  -5.400   9.901   5.664
   98   1HG   GLU  12          2HG       GLU  12  -4.963   7.851   6.900
   99   2HG   GLU  12          1HG       GLU  12  -3.452   8.530   7.498
  100    H    GLU  13           H        GLU  13  -1.855  10.878   4.899
  101    HA   GLU  13           HA       GLU  13   0.444   9.253   4.697
  102   1HB   GLU  13          2HB       GLU  13   0.196  12.120   5.606
  103   2HB   GLU  13          1HB       GLU  13   1.700  11.314   5.179
  104   1HG   GLU  13          2HG       GLU  13   0.721  10.914   2.905
  105   2HG   GLU  13          1HG       GLU  13  -0.611  11.969   3.375
  106    H    GLY  14           H        GLY  14   1.639   8.267   6.136
  107   1HA   GLY  14          2HA       GLY  14   2.763   7.853   8.096
  108   2HA   GLY  14          1HA       GLY  14   1.987   9.244   8.820
  109    H    GLU  15           H        GLU  15   0.359   6.499   7.311
  110    HA   GLU  15           HA       GLU  15  -0.570   5.720  10.005
  111   1HB   GLU  15          2HB       GLU  15  -2.178   6.040   7.497
  112   2HB   GLU  15          1HB       GLU  15  -2.716   4.989   8.793
  113   1HG   GLU  15          2HG       GLU  15  -2.054   7.887   9.202
  114   2HG   GLU  15          1HG       GLU  15  -3.669   7.304   8.799
  115    H    VAL  16           H        VAL  16  -1.526   3.495  10.019
  116    HA   VAL  16           HA       VAL  16   0.179   1.751   8.360
  117    HB   VAL  16           HB       VAL  16  -0.509   1.318  11.274
  118   1HG1  VAL  16          1HG1      VAL  16   1.297  -0.249   9.433
  119   2HG1  VAL  16          2HG1      VAL  16  -0.288  -0.765  10.011
  120   3HG1  VAL  16          3HG1      VAL  16   1.043  -0.560  11.150
  121   1HG2  VAL  16          1HG2      VAL  16   1.889   1.691  11.688
  122   2HG2  VAL  16          2HG2      VAL  16   1.096   3.125  11.033
  123   3HG2  VAL  16          3HG2      VAL  16   2.102   2.120   9.989
  124    H    TYR  17           H        TYR  17  -0.902   0.333   7.215
  125    HA   TYR  17           HA       TYR  17  -3.552  -0.557   8.163
  126   1HB   TYR  17          2HB       TYR  17  -2.786  -0.136   5.264
  127   2HB   TYR  17          1HB       TYR  17  -4.373  -0.564   5.890
  128    HD1  TYR  17           HD1      TYR  17  -1.943   2.135   5.441
  129    HD2  TYR  17           HD2      TYR  17  -5.828   1.126   6.846
  130    HE1  TYR  17           HE1      TYR  17  -2.537   4.520   5.496
  131    HE2  TYR  17           HE2      TYR  17  -6.432   3.509   6.904
  132    HH   TYR  17           HH       TYR  17  -5.421   5.678   6.983
  133    H    ASP  18           H        ASP  18  -4.007  -2.730   7.897
  134    HA   ASP  18           HA       ASP  18  -1.821  -4.429   6.996
  135   1HB   ASP  18          2HB       ASP  18  -3.354  -6.298   7.758
  136   2HB   ASP  18          1HB       ASP  18  -2.823  -5.194   9.019
  137    H    VAL  19           H        VAL  19  -1.695  -4.374   4.849
  138    HA   VAL  19           HA       VAL  19  -4.191  -4.470   3.294
  139    HB   VAL  19           HB       VAL  19  -2.936  -3.524   1.438
  140   1HG1  VAL  19          1HG1      VAL  19  -2.487  -1.986   3.993
  141   2HG1  VAL  19          2HG1      VAL  19  -3.965  -1.992   3.031
  142   3HG1  VAL  19          3HG1      VAL  19  -2.482  -1.310   2.364
  143   1HG2  VAL  19          1HG2      VAL  19  -0.603  -2.774   1.749
  144   2HG2  VAL  19          2HG2      VAL  19  -0.769  -4.528   1.831
  145   3HG2  VAL  19          3HG2      VAL  19  -0.570  -3.590   3.311
  146    H    THR  20           H        THR  20  -4.172  -5.661   1.281
  147    HA   THR  20           HA       THR  20  -2.421  -8.018   1.373
  148    HB   THR  20           HB       THR  20  -5.058  -7.753  -0.087
  149    HG1  THR  20           HG1      THR  20  -4.733  -7.903   2.503
  150   1HG2  THR  20          1HG2      THR  20  -3.358 -10.153   0.604
  151   2HG2  THR  20          2HG2      THR  20  -3.578  -9.455  -1.002
  152   3HG2  THR  20          3HG2      THR  20  -4.941 -10.209  -0.174
  153    H    ILE  21           H        ILE  21  -0.823  -7.984  -0.086
  154    HA   ILE  21           HA       ILE  21  -0.791  -6.220  -2.325
  155    HB   ILE  21           HB       ILE  21   0.918  -8.676  -1.851
  156   1HG1  ILE  21          2HG1      ILE  21   1.098  -7.090   0.008
  157   2HG1  ILE  21          1HG1      ILE  21   2.582  -7.106  -0.938
  158   1HG2  ILE  21          1HG2      ILE  21   1.359  -6.285  -3.640
  159   2HG2  ILE  21          2HG2      ILE  21   0.966  -7.921  -4.167
  160   3HG2  ILE  21          3HG2      ILE  21   2.507  -7.596  -3.374
  161   1HD1  ILE  21          1HD1      ILE  21   0.410  -5.033  -1.134
  162   2HD1  ILE  21          2HD1      ILE  21   1.931  -5.040  -2.026
  163   3HD1  ILE  21          3HD1      ILE  21   1.937  -4.849  -0.273
  164    H    GLN  22           H        GLN  22  -2.191  -6.477  -3.940
  165    HA   GLN  22           HA       GLN  22  -3.145  -9.167  -4.591
  166   1HB   GLN  22          2HB       GLN  22  -4.836  -7.490  -4.063
  167   2HB   GLN  22          1HB       GLN  22  -4.212  -6.434  -5.319
  168   1HG   GLN  22          2HG       GLN  22  -6.144  -7.398  -6.214
  169   2HG   GLN  22          1HG       GLN  22  -4.804  -8.257  -6.966
  170   1HE2  GLN  22          1HE2      GLN  22  -4.291  -9.898  -4.582
  171   2HE2  GLN  22          2HE2      GLN  22  -5.570 -11.056  -4.529
  172    H    ASP  23           H        ASP  23  -1.130  -6.675  -5.840
  173    HA   ASP  23           HA       ASP  23  -0.913  -8.109  -8.376
  174   1HB   ASP  23          2HB       ASP  23  -2.628  -6.310  -8.629
  175   2HB   ASP  23          1HB       ASP  23  -1.384  -5.128  -8.239
  176    H    ILE  24           H        ILE  24   0.942  -7.292  -9.694
  177    HA   ILE  24           HA       ILE  24   3.098  -6.231  -7.998
  178    HB   ILE  24           HB       ILE  24   3.353  -8.431 -10.067
  179   1HG1  ILE  24          2HG1      ILE  24   2.390  -9.230  -7.961
  180   2HG1  ILE  24          1HG1      ILE  24   4.025  -9.848  -8.171
  181   1HG2  ILE  24          1HG2      ILE  24   5.708  -8.539  -9.396
  182   2HG2  ILE  24          2HG2      ILE  24   5.467  -7.146  -8.343
  183   3HG2  ILE  24          3HG2      ILE  24   5.299  -6.970 -10.089
  184   1HD1  ILE  24          1HD1      ILE  24   3.656  -9.181  -5.881
  185   2HD1  ILE  24          2HD1      ILE  24   3.195  -7.560  -6.398
  186   3HD1  ILE  24          3HD1      ILE  24   4.850  -8.121  -6.631
  187    H    ALA  25           H        ALA  25   4.262  -4.620  -8.889
  188    HA   ALA  25           HA       ALA  25   3.270  -3.593 -11.448
  189   1HB   ALA  25          1HB       ALA  25   4.128  -1.465 -10.704
  190   2HB   ALA  25          2HB       ALA  25   4.905  -2.229  -9.319
  191   3HB   ALA  25          3HB       ALA  25   3.142  -2.178  -9.426
  192    H    ARG  26           H        ARG  26   5.463  -1.788 -11.712
  193    HA   ARG  26           HA       ARG  26   7.268  -2.960 -13.379
  194   1HB   ARG  26          2HB       ARG  26   7.170  -0.574 -13.161
  195   2HB   ARG  26          1HB       ARG  26   7.610  -0.652 -11.462
  196   1HG   ARG  26          2HG       ARG  26   9.782  -1.790 -12.438
  197   2HG   ARG  26          1HG       ARG  26   9.316  -0.880 -13.878
  198   1HD   ARG  26          2HD       ARG  26  10.830   0.441 -12.532
  199   2HD   ARG  26          1HD       ARG  26   9.226   1.172 -12.520
  200    HE   ARG  26           HE       ARG  26   9.107  -0.274 -10.288
  201   1HH1  ARG  26          1HH1      ARG  26  11.679   1.794 -11.482
  202   2HH1  ARG  26          2HH1      ARG  26  12.263   2.198  -9.897
  203   1HH2  ARG  26          1HH2      ARG  26   9.850   0.248  -8.218
  204   2HH2  ARG  26          2HH2      ARG  26  11.222   1.316  -8.029
  205    H    GLN  27           H        GLN  27   8.501  -4.677 -13.022
  206    HA   GLN  27           HA       GLN  27  10.376  -5.766 -12.346
  207   1HB   GLN  27          2HB       GLN  27  11.303  -3.506 -11.976
  208   2HB   GLN  27          1HB       GLN  27  10.668  -3.533 -10.336
  209   1HG   GLN  27          2HG       GLN  27  12.122  -5.353  -9.751
  210   2HG   GLN  27          1HG       GLN  27  12.677  -5.497 -11.417
  211   1HE2  GLN  27          1HE2      GLN  27  14.175  -5.007  -8.970
  212   2HE2  GLN  27          2HE2      GLN  27  15.041  -3.527  -9.234
  213    H    GLY  28           H        GLY  28   9.302  -4.408  -9.221
  214   1HA   GLY  28          2HA       GLY  28   8.246  -6.952  -8.371
  215   2HA   GLY  28          1HA       GLY  28   9.794  -6.560  -7.640
  216    H    ASP  29           H        ASP  29   7.780  -3.887  -8.406
  217    HA   ASP  29           HA       ASP  29   7.411  -3.293  -5.614
  218   1HB   ASP  29          2HB       ASP  29   6.203  -1.859  -7.995
  219   2HB   ASP  29          1HB       ASP  29   6.316  -1.251  -6.350
  220    H    GLY  30           H        GLY  30   5.748  -3.944  -4.410
  221   1HA   GLY  30          2HA       GLY  30   3.631  -5.472  -5.633
  222   2HA   GLY  30          1HA       GLY  30   3.851  -5.173  -3.915
  223    H    ILE  31           H        ILE  31   1.553  -4.910  -5.931
  224    HA   ILE  31           HA       ILE  31   0.878  -2.108  -5.346
  225    HB   ILE  31           HB       ILE  31  -0.286  -3.959  -7.433
  226   1HG1  ILE  31          2HG1      ILE  31   1.978  -3.163  -7.980
  227   2HG1  ILE  31          1HG1      ILE  31   0.772  -2.444  -9.048
  228   1HG2  ILE  31          1HG2      ILE  31  -1.973  -2.444  -6.586
  229   2HG2  ILE  31          2HG2      ILE  31  -1.496  -1.967  -8.216
  230   3HG2  ILE  31          3HG2      ILE  31  -0.892  -1.071  -6.823
  231   1HD1  ILE  31          1HD1      ILE  31   2.063  -1.115  -6.675
  232   2HD1  ILE  31          2HD1      ILE  31   0.834  -0.395  -7.713
  233   3HD1  ILE  31          3HD1      ILE  31   2.417  -0.802  -8.374
  234    H    ALA  32           H        ALA  32  -0.325  -1.889  -3.630
  235    HA   ALA  32           HA       ALA  32  -2.405  -3.894  -3.067
  236   1HB   ALA  32          1HB       ALA  32  -1.153  -1.876  -1.203
  237   2HB   ALA  32          2HB       ALA  32  -0.772  -3.599  -1.264
  238   3HB   ALA  32          3HB       ALA  32  -2.381  -3.067  -0.768
  239    H    ARG  33           H        ARG  33  -4.321  -3.282  -3.831
  240    HA   ARG  33           HA       ARG  33  -4.935  -0.427  -3.941
  241   1HB   ARG  33          2HB       ARG  33  -5.999  -2.809  -5.386
  242   2HB   ARG  33          1HB       ARG  33  -7.076  -1.443  -5.134
  243   1HG   ARG  33          2HG       ARG  33  -6.230  -0.746  -7.087
  244   2HG   ARG  33          1HG       ARG  33  -4.901  -0.169  -6.082
  245   1HD   ARG  33          2HD       ARG  33  -3.971  -1.354  -7.930
  246   2HD   ARG  33          1HD       ARG  33  -3.749  -2.336  -6.483
  247    HE   ARG  33           HE       ARG  33  -6.093  -3.239  -7.539
  248   1HH1  ARG  33          1HH1      ARG  33  -2.892  -2.778  -8.890
  249   2HH1  ARG  33          2HH1      ARG  33  -2.999  -4.151  -9.942
  250   1HH2  ARG  33          1HH2      ARG  33  -6.252  -5.014  -8.932
  251   2HH2  ARG  33          2HH2      ARG  33  -4.914  -5.438  -9.966
  252    H    ILE  34           H        ILE  34  -5.882   0.375  -2.199
  253    HA   ILE  34           HA       ILE  34  -7.774  -1.288  -0.726
  254    HB   ILE  34           HB       ILE  34  -6.685   1.464  -0.121
  255   1HG1  ILE  34          2HG1      ILE  34  -6.327  -1.258   1.144
  256   2HG1  ILE  34          1HG1      ILE  34  -5.105  -0.315   0.299
  257   1HG2  ILE  34          1HG2      ILE  34  -8.664  -0.171   1.467
  258   2HG2  ILE  34          2HG2      ILE  34  -9.014   1.327   0.605
  259   3HG2  ILE  34          3HG2      ILE  34  -7.920   1.342   1.990
  260   1HD1  ILE  34          1HD1      ILE  34  -6.434   0.454   2.887
  261   2HD1  ILE  34          2HD1      ILE  34  -5.160   1.352   2.059
  262   3HD1  ILE  34          3HD1      ILE  34  -4.822  -0.244   2.722
  263    H    GLU  35           H        GLU  35  -9.696  -1.392  -1.495
  264    HA   GLU  35           HA       GLU  35 -11.610  -0.969  -2.632
  265   1HB   GLU  35          2HB       GLU  35 -11.113   1.716  -1.362
  266   2HB   GLU  35          1HB       GLU  35 -12.582   1.343  -2.259
  267   1HG   GLU  35          2HG       GLU  35 -11.589  -0.025   0.230
  268   2HG   GLU  35          1HG       GLU  35 -12.977   1.056   0.092
  269    H    GLY  36           H        GLY  36  -8.967  -0.423  -3.988
  270   1HA   GLY  36          2HA       GLY  36  -9.060  -0.225  -6.435
  271   2HA   GLY  36          1HA       GLY  36 -10.080   1.184  -6.198
  272    H    PHE  37           H        PHE  37  -8.298   2.054  -3.910
  273    HA   PHE  37           HA       PHE  37  -6.690   3.784  -5.501
  274   1HB   PHE  37          2HB       PHE  37  -7.710   4.389  -3.284
  275   2HB   PHE  37          1HB       PHE  37  -6.507   3.358  -2.513
  276    HD1  PHE  37           HD1      PHE  37  -4.280   4.099  -2.189
  277    HD2  PHE  37           HD2      PHE  37  -6.987   6.415  -4.515
  278    HE1  PHE  37           HE1      PHE  37  -2.686   5.974  -2.172
  279    HE2  PHE  37           HE2      PHE  37  -5.400   8.293  -4.503
  280    HZ   PHE  37           HZ       PHE  37  -3.247   8.075  -3.329
  281    H    VAL  38           H        VAL  38  -4.634   3.614  -6.120
  282    HA   VAL  38           HA       VAL  38  -3.334   1.063  -5.692
  283    HB   VAL  38           HB       VAL  38  -2.507   3.392  -7.438
  284   1HG1  VAL  38          1HG1      VAL  38  -0.633   1.937  -6.877
  285   2HG1  VAL  38          2HG1      VAL  38  -1.075   1.785  -8.578
  286   3HG1  VAL  38          3HG1      VAL  38  -1.550   0.536  -7.427
  287   1HG2  VAL  38          1HG2      VAL  38  -4.661   2.480  -8.102
  288   2HG2  VAL  38          2HG2      VAL  38  -3.976   0.855  -8.138
  289   3HG2  VAL  38          3HG2      VAL  38  -3.419   2.072  -9.286
  290    H    ILE  39           H        ILE  39  -2.034   0.790  -4.005
  291    HA   ILE  39           HA       ILE  39  -0.230   2.984  -3.226
  292    HB   ILE  39           HB       ILE  39  -0.960   0.520  -1.632
  293   1HG1  ILE  39          2HG1      ILE  39  -1.921   3.356  -1.206
  294   2HG1  ILE  39          1HG1      ILE  39  -2.862   2.124  -2.039
  295   1HG2  ILE  39          1HG2      ILE  39   0.057   1.735   0.247
  296   2HG2  ILE  39          2HG2      ILE  39   0.514   3.035  -0.854
  297   3HG2  ILE  39          3HG2      ILE  39   1.217   1.428  -1.046
  298   1HD1  ILE  39          1HD1      ILE  39  -3.558   2.380   0.272
  299   2HD1  ILE  39          2HD1      ILE  39  -1.927   1.984   0.817
  300   3HD1  ILE  39          3HD1      ILE  39  -2.898   0.773  -0.023
  301    H    PHE  40           H        PHE  40   1.927   2.710  -3.453
  302    HA   PHE  40           HA       PHE  40   2.853   0.230  -4.692
  303   1HB   PHE  40          2HB       PHE  40   4.044   2.987  -4.441
  304   2HB   PHE  40          1HB       PHE  40   4.997   1.612  -4.982
  305    HD1  PHE  40           HD1      PHE  40   4.964   0.948  -7.198
  306    HD2  PHE  40           HD2      PHE  40   1.937   3.565  -5.761
  307    HE1  PHE  40           HE1      PHE  40   4.165   1.286  -9.503
  308    HE2  PHE  40           HE2      PHE  40   1.133   3.908  -8.057
  309    HZ   PHE  40           HZ       PHE  40   2.249   2.771  -9.933
  310    H    VAL  41           H        VAL  41   3.841  -1.280  -3.570
  311    HA   VAL  41           HA       VAL  41   5.373  -0.507  -1.167
  312    HB   VAL  41           HB       VAL  41   3.764  -3.052  -1.462
  313   1HG1  VAL  41          1HG1      VAL  41   4.279  -3.372   0.921
  314   2HG1  VAL  41          2HG1      VAL  41   5.296  -1.932   0.882
  315   3HG1  VAL  41          3HG1      VAL  41   5.731  -3.346  -0.079
  316   1HG2  VAL  41          1HG2      VAL  41   3.160  -0.585   0.165
  317   2HG2  VAL  41          2HG2      VAL  41   2.302  -2.120   0.293
  318   3HG2  VAL  41          3HG2      VAL  41   2.238  -1.199  -1.209
  319    HA   PRO  42           HA       PRO  42   8.192  -2.373  -4.252
  320   1HB   PRO  42          2HB       PRO  42  10.194  -1.246  -2.381
  321   2HB   PRO  42          1HB       PRO  42  10.038  -1.033  -4.128
  322   1HG   PRO  42          2HG       PRO  42   9.404   0.935  -2.441
  323   2HG   PRO  42          1HG       PRO  42   8.463   0.648  -3.917
  324   1HD   PRO  42          2HD       PRO  42   7.818  -0.081  -1.085
  325   2HD   PRO  42          1HD       PRO  42   6.750   0.543  -2.361
  326    H    GLY  43           H        GLY  43   8.526  -4.505  -4.125
  327   1HA   GLY  43          2HA       GLY  43   9.840  -6.333  -3.467
  328   2HA   GLY  43          1HA       GLY  43  10.213  -5.499  -1.966
  329    H    THR  44           H        THR  44   7.262  -6.717  -3.602
  330    HA   THR  44           HA       THR  44   6.738  -8.378  -1.263
  331    HB   THR  44           HB       THR  44   4.228  -7.648  -1.573
  332    HG1  THR  44           HG1      THR  44   5.404  -5.140  -2.098
  333   1HG2  THR  44          1HG2      THR  44   6.238  -5.937  -0.106
  334   2HG2  THR  44          2HG2      THR  44   5.499  -7.418   0.505
  335   3HG2  THR  44          3HG2      THR  44   4.505  -5.991   0.213
  336    H    LYS  45           H        LYS  45   4.633  -9.729  -1.764
  337    HA   LYS  45           HA       LYS  45   4.723 -10.582  -4.584
  338   1HB   LYS  45          2HB       LYS  45   6.079 -12.050  -3.050
  339   2HB   LYS  45          1HB       LYS  45   4.599 -12.419  -2.182
  340   1HG   LYS  45          2HG       LYS  45   5.027 -14.227  -3.647
  341   2HG   LYS  45          1HG       LYS  45   3.672 -13.324  -4.323
  342   1HD   LYS  45          2HD       LYS  45   5.235 -13.956  -6.075
  343   2HD   LYS  45          1HD       LYS  45   5.205 -12.203  -5.879
  344   1HE   LYS  45          2HE       LYS  45   7.486 -13.048  -6.163
  345   2HE   LYS  45          1HE       LYS  45   7.262 -12.290  -4.588
  346   1HZ   LYS  45          1HZ       LYS  45   7.146 -15.220  -5.071
  347   2HZ   LYS  45          2HZ       LYS  45   7.105 -14.440  -3.568
  348   3HZ   LYS  45          3HZ       LYS  45   8.517 -14.395  -4.507
  349    H    VAL  46           H        VAL  46   2.755 -11.461  -5.390
  350    HA   VAL  46           HA       VAL  46   0.375 -10.389  -4.385
  351    HB   VAL  46           HB       VAL  46   0.684 -12.797  -6.187
  352   1HG1  VAL  46          1HG1      VAL  46  -1.592 -12.294  -6.927
  353   2HG1  VAL  46          2HG1      VAL  46  -1.692 -10.994  -5.739
  354   3HG1  VAL  46          3HG1      VAL  46  -1.546 -12.668  -5.204
  355   1HG2  VAL  46          1HG2      VAL  46   1.784 -10.831  -7.095
  356   2HG2  VAL  46          2HG2      VAL  46   0.321  -9.879  -6.844
  357   3HG2  VAL  46          3HG2      VAL  46   0.324 -11.200  -8.014
  358    H    GLY  47           H        GLY  47  -0.684 -10.877  -2.601
  359   1HA   GLY  47          2HA       GLY  47  -2.017 -12.620  -1.472
  360   2HA   GLY  47          1HA       GLY  47  -0.623 -13.676  -1.645
  361    H    ASP  48           H        ASP  48   0.849 -10.918  -1.009
  362    HA   ASP  48           HA       ASP  48   1.351 -11.594   1.713
  363   1HB   ASP  48          2HB       ASP  48   2.304  -9.453  -0.132
  364   2HB   ASP  48          1HB       ASP  48   2.516  -9.214   1.598
  365    H    GLU  49           H        GLU  49  -0.319 -11.343   3.090
  366    HA   GLU  49           HA       GLU  49  -1.614  -8.751   3.311
  367   1HB   GLU  49          2HB       GLU  49  -1.854 -11.286   4.939
  368   2HB   GLU  49          1HB       GLU  49  -2.696  -9.796   5.343
  369   1HG   GLU  49          2HG       GLU  49  -3.812  -9.867   3.150
  370   2HG   GLU  49          1HG       GLU  49  -3.010 -11.401   2.819
  371    H    VAL  50           H        VAL  50  -0.195  -7.254   3.957
  372    HA   VAL  50           HA       VAL  50   1.437  -7.867   6.325
  373    HB   VAL  50           HB       VAL  50   3.265  -6.465   5.330
  374   1HG1  VAL  50          1HG1      VAL  50   4.120  -8.243   3.873
  375   2HG1  VAL  50          2HG1      VAL  50   2.517  -8.977   3.838
  376   3HG1  VAL  50          3HG1      VAL  50   3.414  -8.888   5.355
  377   1HG2  VAL  50          1HG2      VAL  50   3.288  -6.109   2.919
  378   2HG2  VAL  50          2HG2      VAL  50   1.907  -5.294   3.654
  379   3HG2  VAL  50          3HG2      VAL  50   1.677  -6.812   2.786
  380    H    ARG  51           H        ARG  51   1.950  -6.174   7.680
  381    HA   ARG  51           HA       ARG  51   0.225  -3.877   7.626
  382   1HB   ARG  51          2HB       ARG  51   2.381  -4.862   9.464
  383   2HB   ARG  51          1HB       ARG  51   1.790  -3.214   9.602
  384   1HG   ARG  51          2HG       ARG  51   0.053  -5.662   9.770
  385   2HG   ARG  51          1HG       ARG  51   0.714  -4.788  11.149
  386   1HD   ARG  51          2HD       ARG  51  -0.453  -2.762  10.422
  387   2HD   ARG  51          1HD       ARG  51  -1.132  -3.654   9.062
  388    HE   ARG  51           HE       ARG  51  -1.881  -5.103  11.252
  389   1HH1  ARG  51          1HH1      ARG  51  -2.241  -1.764  10.274
  390   2HH1  ARG  51          2HH1      ARG  51  -3.757  -1.539  11.089
  391   1HH2  ARG  51          1HH2      ARG  51  -3.860  -4.811  12.369
  392   2HH2  ARG  51          2HH2      ARG  51  -4.695  -3.290  12.248
  393    H    ILE  52           H        ILE  52   0.668  -1.964   6.818
  394    HA   ILE  52           HA       ILE  52   3.450  -1.287   6.186
  395    HB   ILE  52           HB       ILE  52   2.651  -0.238   4.029
  396   1HG1  ILE  52          2HG1      ILE  52   0.606  -1.613   3.094
  397   2HG1  ILE  52          1HG1      ILE  52   0.182  -1.755   4.795
  398   1HG2  ILE  52          1HG2      ILE  52   2.769  -2.344   2.774
  399   2HG2  ILE  52          2HG2      ILE  52   2.544  -3.236   4.280
  400   3HG2  ILE  52          3HG2      ILE  52   3.985  -2.247   4.048
  401   1HD1  ILE  52          1HD1      ILE  52   0.570   0.824   3.292
  402   2HD1  ILE  52          2HD1      ILE  52   0.101   0.666   4.986
  403   3HD1  ILE  52          3HD1      ILE  52  -0.978   0.092   3.714
  404    H    LYS  53           H        LYS  53   3.960   0.862   6.270
  405    HA   LYS  53           HA       LYS  53   1.875   2.615   7.368
  406   1HB   LYS  53          2HB       LYS  53   3.947   2.440   8.701
  407   2HB   LYS  53          1HB       LYS  53   4.882   2.977   7.312
  408   1HG   LYS  53          2HG       LYS  53   3.510   5.105   7.374
  409   2HG   LYS  53          1HG       LYS  53   2.909   4.558   8.941
  410   1HD   LYS  53          2HD       LYS  53   5.196   4.465   9.790
  411   2HD   LYS  53          1HD       LYS  53   5.804   4.994   8.224
  412   1HE   LYS  53          2HE       LYS  53   5.790   6.907   9.593
  413   2HE   LYS  53          1HE       LYS  53   4.398   7.068   8.526
  414   1HZ   LYS  53          1HZ       LYS  53   4.202   5.974  11.277
  415   2HZ   LYS  53          2HZ       LYS  53   2.938   6.487  10.272
  416   3HZ   LYS  53          3HZ       LYS  53   4.012   7.620  10.923
  417    H    VAL  54           H        VAL  54   0.852   3.715   5.813
  418    HA   VAL  54           HA       VAL  54   2.013   4.337   3.288
  419    HB   VAL  54           HB       VAL  54  -0.386   5.598   4.649
  420   1HG1  VAL  54          1HG1      VAL  54   0.497   5.696   1.765
  421   2HG1  VAL  54          2HG1      VAL  54   0.490   7.043   2.906
  422   3HG1  VAL  54          3HG1      VAL  54  -1.032   6.317   2.389
  423   1HG2  VAL  54          1HG2      VAL  54  -0.199   3.350   2.649
  424   2HG2  VAL  54          2HG2      VAL  54  -1.699   4.125   3.161
  425   3HG2  VAL  54          3HG2      VAL  54  -0.724   3.231   4.328
  426    H    GLU  55           H        GLU  55   3.559   5.740   2.992
  427    HA   GLU  55           HA       GLU  55   4.276   7.514   5.185
  428   1HB   GLU  55          2HB       GLU  55   6.419   7.725   3.864
  429   2HB   GLU  55          1HB       GLU  55   6.047   6.113   4.454
  430   1HG   GLU  55          2HG       GLU  55   5.159   5.556   2.212
  431   2HG   GLU  55          1HG       GLU  55   5.676   7.145   1.653
  432    H    ARG  56           H        ARG  56   3.233   7.652   1.871
  433    HA   ARG  56           HA       ARG  56   2.997  10.529   1.967
  434   1HB   ARG  56          2HB       ARG  56   5.359  10.256   1.404
  435   2HB   ARG  56          1HB       ARG  56   4.943   9.169   0.092
  436   1HG   ARG  56          2HG       ARG  56   3.848  10.994  -1.090
  437   2HG   ARG  56          1HG       ARG  56   4.230  12.090   0.242
  438   1HD   ARG  56          2HD       ARG  56   6.621  11.685  -0.122
  439   2HD   ARG  56          1HD       ARG  56   6.232  10.604  -1.457
  440    HE   ARG  56           HE       ARG  56   5.183  13.293  -1.712
  441   1HH1  ARG  56          1HH1      ARG  56   7.847  11.118  -2.388
  442   2HH1  ARG  56          2HH1      ARG  56   8.460  12.069  -3.710
  443   1HH2  ARG  56          1HH2      ARG  56   6.000  14.558  -3.416
  444   2HH2  ARG  56          2HH2      ARG  56   7.403  14.027  -4.291
  445    H    VAL  57           H        VAL  57   1.295  11.137   0.755
  446    HA   VAL  57           HA       VAL  57   0.253   9.148  -1.150
  447    HB   VAL  57           HB       VAL  57  -2.003  10.009  -0.731
  448   1HG1  VAL  57          1HG1      VAL  57  -1.180   8.111   0.572
  449   2HG1  VAL  57          2HG1      VAL  57  -2.331   9.085   1.489
  450   3HG1  VAL  57          3HG1      VAL  57  -0.601   9.219   1.817
  451   1HG2  VAL  57          1HG2      VAL  57  -2.444  11.531   1.141
  452   2HG2  VAL  57          2HG2      VAL  57  -1.462  12.298  -0.109
  453   3HG2  VAL  57          3HG2      VAL  57  -0.706  11.730   1.380
  454    H    LEU  58           H        LEU  58  -0.253   9.747  -3.148
  455    HA   LEU  58           HA       LEU  58  -0.219  12.613  -3.824
  456   1HB   LEU  58          2HB       LEU  58   0.713  10.279  -5.513
  457   2HB   LEU  58          1HB       LEU  58   0.590  11.934  -6.077
  458    HG   LEU  58           HG       LEU  58   2.434  10.989  -3.879
  459   1HD1  LEU  58          1HD1      LEU  58   4.222  11.340  -5.495
  460   2HD1  LEU  58          2HD1      LEU  58   3.035  11.740  -6.736
  461   3HD1  LEU  58          3HD1      LEU  58   3.089  10.111  -6.061
  462   1HD2  LEU  58          1HD2      LEU  58   1.785  13.297  -3.570
  463   2HD2  LEU  58          2HD2      LEU  58   2.156  13.658  -5.256
  464   3HD2  LEU  58          3HD2      LEU  58   3.450  13.220  -4.142
  465    HA   PRO  59           HA       PRO  59  -4.361  12.168  -5.249
  466   1HB   PRO  59          2HB       PRO  59  -3.504  13.412  -7.815
  467   2HB   PRO  59          1HB       PRO  59  -4.803  13.882  -6.711
  468   1HG   PRO  59          2HG       PRO  59  -2.543  15.272  -6.790
  469   2HG   PRO  59          1HG       PRO  59  -3.350  14.944  -5.245
  470   1HD   PRO  59          2HD       PRO  59  -0.924  13.655  -6.429
  471   2HD   PRO  59          1HD       PRO  59  -1.263  14.084  -4.739
  472    H    LYS  60           H        LYS  60  -1.773  10.852  -7.097
  473    HA   LYS  60           HA       LYS  60  -3.609   9.346  -8.810
  474   1HB   LYS  60          2HB       LYS  60  -1.721  10.570  -9.865
  475   2HB   LYS  60          1HB       LYS  60  -0.597   9.567  -8.959
  476   1HG   LYS  60          2HG       LYS  60  -0.777   8.740 -11.205
  477   2HG   LYS  60          1HG       LYS  60  -1.504   7.576 -10.094
  478   1HD   LYS  60          2HD       LYS  60  -3.725   8.458 -10.639
  479   2HD   LYS  60          1HD       LYS  60  -2.988   9.596 -11.771
  480   1HE   LYS  60          2HE       LYS  60  -2.063   7.668 -13.024
  481   2HE   LYS  60          1HE       LYS  60  -2.935   6.587 -11.937
  482   1HZ   LYS  60          1HZ       LYS  60  -5.009   7.612 -12.656
  483   2HZ   LYS  60          2HZ       LYS  60  -4.171   6.935 -13.964
  484   3HZ   LYS  60          3HZ       LYS  60  -4.159   8.618 -13.725
  485    H    PHE  61           H        PHE  61  -1.231   8.933  -6.249
  486    HA   PHE  61           HA       PHE  61  -2.034   6.295  -5.641
  487   1HB   PHE  61          2HB       PHE  61   0.063   5.108  -6.255
  488   2HB   PHE  61          1HB       PHE  61  -0.846   5.654  -7.657
  489    HD1  PHE  61           HD1      PHE  61   2.154   6.260  -5.601
  490    HD2  PHE  61           HD2      PHE  61   0.063   7.232  -9.180
  491    HE1  PHE  61           HE1      PHE  61   4.162   7.382  -6.470
  492    HE2  PHE  61           HE2      PHE  61   2.067   8.358 -10.050
  493    HZ   PHE  61           HZ       PHE  61   4.120   8.433  -8.693
  494    H    ALA  62           H        ALA  62  -0.299   5.256  -4.089
  495    HA   ALA  62           HA       ALA  62   0.989   7.410  -2.549
  496   1HB   ALA  62          1HB       ALA  62  -0.732   5.243  -1.354
  497   2HB   ALA  62          2HB       ALA  62  -1.185   6.939  -1.524
  498   3HB   ALA  62          3HB       ALA  62   0.148   6.486  -0.463
  499    H    PHE  63           H        PHE  63   2.628   6.689  -1.056
  500    HA   PHE  63           HA       PHE  63   3.861   4.120  -1.825
  501   1HB   PHE  63          2HB       PHE  63   5.196   6.411  -0.367
  502   2HB   PHE  63          1HB       PHE  63   5.972   5.009  -1.089
  503    HD1  PHE  63           HD1      PHE  63   5.605   4.768  -3.689
  504    HD2  PHE  63           HD2      PHE  63   5.212   8.384  -1.483
  505    HE1  PHE  63           HE1      PHE  63   5.991   6.059  -5.747
  506    HE2  PHE  63           HE2      PHE  63   5.593   9.685  -3.538
  507    HZ   PHE  63           HZ       PHE  63   5.983   8.521  -5.674
  508    H    ALA  64           H        ALA  64   4.673   2.755  -0.126
  509    HA   ALA  64           HA       ALA  64   3.924   3.524   2.596
  510   1HB   ALA  64          1HB       ALA  64   3.063   0.936   1.313
  511   2HB   ALA  64          2HB       ALA  64   2.013   2.284   1.753
  512   3HB   ALA  64          3HB       ALA  64   2.844   1.368   3.010
  513    H    SER  65           H        SER  65   5.211   2.742   4.168
  514    HA   SER  65           HA       SER  65   7.565   1.195   3.385
  515   1HB   SER  65          2HB       SER  65   6.888   2.542   6.015
  516   2HB   SER  65          1HB       SER  65   8.433   1.806   5.599
  517    HG   SER  65           HG       SER  65   7.630   3.653   3.741
  518    H    VAL  66           H        VAL  66   7.985  -0.861   4.193
  519    HA   VAL  66           HA       VAL  66   5.658  -2.298   5.142
  520    HB   VAL  66           HB       VAL  66   8.444  -3.373   4.708
  521   1HG1  VAL  66          1HG1      VAL  66   5.758  -4.740   4.824
  522   2HG1  VAL  66          2HG1      VAL  66   7.027  -4.824   6.046
  523   3HG1  VAL  66          3HG1      VAL  66   7.292  -5.527   4.451
  524   1HG2  VAL  66          1HG2      VAL  66   6.140  -3.260   2.765
  525   2HG2  VAL  66          2HG2      VAL  66   7.682  -4.075   2.494
  526   3HG2  VAL  66          3HG2      VAL  66   7.627  -2.319   2.663
  527    H    VAL  67           H        VAL  67   5.172  -2.497   7.220
  528    HA   VAL  67           HA       VAL  67   7.378  -2.460   9.176
  529    HB   VAL  67           HB       VAL  67   5.762  -1.559  10.836
  530   1HG1  VAL  67          1HG1      VAL  67   7.273  -0.043   9.691
  531   2HG1  VAL  67          2HG1      VAL  67   5.712   0.740   9.944
  532   3HG1  VAL  67          3HG1      VAL  67   6.135   0.111   8.351
  533   1HG2  VAL  67          1HG2      VAL  67   3.696  -2.336   9.777
  534   2HG2  VAL  67          2HG2      VAL  67   3.957  -1.208   8.447
  535   3HG2  VAL  67          3HG2      VAL  67   3.655  -0.596  10.074
  536    H    GLU  68           H        GLU  68   5.944  -4.634   7.708
  537    HA   GLU  68           HA       GLU  68   4.633  -6.106   9.854
  538   1HB   GLU  68          2HB       GLU  68   3.929  -5.976   7.313
  539   2HB   GLU  68          1HB       GLU  68   5.141  -7.230   7.121
  540   1HG   GLU  68          2HG       GLU  68   2.817  -7.419   9.021
  541   2HG   GLU  68          1HG       GLU  68   2.803  -8.046   7.377
  Start of MODEL    8
    1   1H    MET   1          1HT       MET   1  -6.809  20.873  -2.663
    2   2H    MET   1          2HT       MET   1  -6.755  20.707  -4.351
    3   3H    MET   1          3HT       MET   1  -7.854  19.793  -3.442
    4    HA   MET   1           HA       MET   1  -9.114  21.688  -2.861
    5   1HB   MET   1          2HB       MET   1  -6.955  23.248  -4.300
    6   2HB   MET   1          1HB       MET   1  -8.479  23.932  -3.759
    7   1HG   MET   1          2HG       MET   1  -6.770  24.493  -2.191
    8   2HG   MET   1          1HG       MET   1  -7.879  23.350  -1.440
    9   1HE   MET   1          1HE       MET   1  -6.148  22.858   0.494
   10   2HE   MET   1          2HE       MET   1  -5.034  24.023  -0.217
   11   3HE   MET   1          3HE       MET   1  -4.466  22.412   0.215
   12    H    PHE   2           H        PHE   2 -10.169  20.109  -4.286
   13    HA   PHE   2           HA       PHE   2 -10.230  20.960  -7.114
   14   1HB   PHE   2          2HB       PHE   2  -9.338  18.702  -6.742
   15   2HB   PHE   2          1HB       PHE   2 -10.804  18.255  -5.883
   16    HD1  PHE   2           HD1      PHE   2  -9.576  19.398  -9.196
   17    HD2  PHE   2           HD2      PHE   2 -12.587  17.316  -7.023
   18    HE1  PHE   2           HE1      PHE   2 -10.567  18.628 -11.311
   19    HE2  PHE   2           HE2      PHE   2 -13.586  16.549  -9.135
   20    HZ   PHE   2           HZ       PHE   2 -12.573  17.205 -11.283
   21    H    ARG   3           H        ARG   3 -12.041  20.571  -4.247
   22    HA   ARG   3           HA       ARG   3 -14.483  21.460  -5.567
   23   1HB   ARG   3          2HB       ARG   3 -14.061  18.746  -4.509
   24   2HB   ARG   3          1HB       ARG   3 -15.509  19.533  -3.905
   25   1HG   ARG   3          2HG       ARG   3 -14.867  19.287  -6.831
   26   2HG   ARG   3          1HG       ARG   3 -15.811  18.096  -5.935
   27   1HD   ARG   3          2HD       ARG   3 -17.272  20.088  -5.229
   28   2HD   ARG   3          1HD       ARG   3 -16.477  20.959  -6.539
   29    HE   ARG   3           HE       ARG   3 -17.320  18.771  -7.810
   30   1HH1  ARG   3          1HH1      ARG   3 -18.990  20.862  -5.542
   31   2HH1  ARG   3          2HH1      ARG   3 -20.553  20.607  -6.269
   32   1HH2  ARG   3          1HH2      ARG   3 -19.387  18.400  -8.725
   33   2HH2  ARG   3          2HH2      ARG   3 -20.783  19.189  -8.059
   34    H    GLU   4           H        GLU   4 -13.080  20.282  -2.585
   35    HA   GLU   4           HA       GLU   4 -13.540  22.446  -0.922
   36   1HB   GLU   4          2HB       GLU   4 -15.973  21.740  -1.488
   37   2HB   GLU   4          1HB       GLU   4 -15.649  20.324  -0.499
   38   1HG   GLU   4          2HG       GLU   4 -15.192  21.767   1.417
   39   2HG   GLU   4          1HG       GLU   4 -15.525  23.185   0.421
   40    H    GLU   5           H        GLU   5 -13.178  19.178  -1.661
   41    HA   GLU   5           HA       GLU   5 -11.740  17.603  -0.976
   42   1HB   GLU   5          2HB       GLU   5 -10.837  19.483   1.200
   43   2HB   GLU   5          1HB       GLU   5  -9.978  18.081   0.570
   44   1HG   GLU   5          2HG       GLU   5 -10.552  20.664  -0.850
   45   2HG   GLU   5          1HG       GLU   5  -8.979  20.041  -0.355
   46    H    SER   6           H        SER   6 -11.036  17.118   1.859
   47    HA   SER   6           HA       SER   6 -11.721  15.419   3.179
   48   1HB   SER   6          2HB       SER   6 -13.866  15.665   4.386
   49   2HB   SER   6          1HB       SER   6 -12.955  17.170   4.379
   50    HG   SER   6           HG       SER   6 -14.493  17.270   2.272
   51    H    ARG   7           H        ARG   7 -11.865  15.165   0.421
   52    HA   ARG   7           HA       ARG   7 -14.261  13.643  -0.217
   53   1HB   ARG   7          2HB       ARG   7 -11.820  14.352  -1.869
   54   2HB   ARG   7          1HB       ARG   7 -13.230  13.496  -2.478
   55   1HG   ARG   7          2HG       ARG   7 -14.629  15.403  -2.126
   56   2HG   ARG   7          1HG       ARG   7 -13.331  16.263  -1.297
   57   1HD   ARG   7          2HD       ARG   7 -13.255  15.383  -4.178
   58   2HD   ARG   7          1HD       ARG   7 -13.669  17.005  -3.635
   59    HE   ARG   7           HE       ARG   7 -11.360  17.066  -2.667
   60   1HH1  ARG   7          1HH1      ARG   7 -12.142  15.040  -5.415
   61   2HH1  ARG   7          2HH1      ARG   7 -10.501  14.983  -5.995
   62   1HH2  ARG   7          1HH2      ARG   7  -9.216  17.033  -3.437
   63   2HH2  ARG   7          2HH2      ARG   7  -8.838  16.123  -4.880
   64    H    SER   8           H        SER   8 -12.964  11.807  -2.026
   65    HA   SER   8           HA       SER   8 -12.650   9.642  -0.260
   66   1HB   SER   8          2HB       SER   8 -13.511   9.289  -2.494
   67   2HB   SER   8          1HB       SER   8 -12.019   9.895  -3.209
   68    HG   SER   8           HG       SER   8 -12.389   7.492  -1.729
   69    H    VAL   9           H        VAL   9 -11.017   9.751   1.141
   70    HA   VAL   9           HA       VAL   9  -8.355   9.289   0.022
   71    HB   VAL   9           HB       VAL   9  -7.406  10.514   2.089
   72   1HG1  VAL   9          1HG1      VAL   9  -7.394  12.672   0.899
   73   2HG1  VAL   9          2HG1      VAL   9  -8.663  12.070  -0.168
   74   3HG1  VAL   9          3HG1      VAL   9  -7.073  11.309  -0.176
   75   1HG2  VAL   9          1HG2      VAL   9 -10.121  11.827   1.942
   76   2HG2  VAL   9          2HG2      VAL   9  -8.754  12.405   2.892
   77   3HG2  VAL   9          3HG2      VAL   9  -9.505  10.857   3.281
   78    HA   PRO  10           HA       PRO  10  -9.696   5.977   2.847
   79   1HB   PRO  10          2HB       PRO  10  -8.571   3.944   1.494
   80   2HB   PRO  10          1HB       PRO  10 -10.083   4.696   0.973
   81   1HG   PRO  10          2HG       PRO  10  -7.301   5.139  -0.043
   82   2HG   PRO  10          1HG       PRO  10  -8.808   4.946  -0.957
   83   1HD   PRO  10          2HD       PRO  10  -7.676   7.370  -0.434
   84   2HD   PRO  10          1HD       PRO  10  -9.424   7.138  -0.646
   85    H    VAL  11           H        VAL  11  -6.571   7.030   1.897
   86    HA   VAL  11           HA       VAL  11  -5.413   5.703   4.244
   87    HB   VAL  11           HB       VAL  11  -3.262   5.460   3.010
   88   1HG1  VAL  11          1HG1      VAL  11  -5.627   3.963   1.893
   89   2HG1  VAL  11          2HG1      VAL  11  -4.692   3.541   3.329
   90   3HG1  VAL  11          3HG1      VAL  11  -3.941   3.466   1.733
   91   1HG2  VAL  11          1HG2      VAL  11  -3.643   7.084   1.236
   92   2HG2  VAL  11          2HG2      VAL  11  -4.952   6.094   0.590
   93   3HG2  VAL  11          3HG2      VAL  11  -3.293   5.495   0.558
   94    H    GLU  12           H        GLU  12  -3.942   6.882   5.400
   95    HA   GLU  12           HA       GLU  12  -3.524   9.663   4.524
   96   1HB   GLU  12          2HB       GLU  12  -3.979   8.611   7.320
   97   2HB   GLU  12          1HB       GLU  12  -3.557  10.275   6.933
   98   1HG   GLU  12          2HG       GLU  12  -5.619  10.597   5.770
   99   2HG   GLU  12          1HG       GLU  12  -6.018   8.885   5.904
  100    H    GLU  13           H        GLU  13  -1.544  10.626   5.046
  101    HA   GLU  13           HA       GLU  13   0.684   8.904   4.886
  102   1HB   GLU  13          2HB       GLU  13   0.629  11.852   5.554
  103   2HB   GLU  13          1HB       GLU  13   2.030  10.935   5.011
  104   1HG   GLU  13          2HG       GLU  13   0.871  10.467   2.890
  105   2HG   GLU  13          1HG       GLU  13  -0.481  11.456   3.434
  106    H    GLY  14           H        GLY  14   1.891   7.986   6.376
  107   1HA   GLY  14          2HA       GLY  14   3.028   7.754   8.398
  108   2HA   GLY  14          1HA       GLY  14   2.117   9.105   9.053
  109    H    GLU  15           H        GLU  15   0.546   6.431   7.424
  110    HA   GLU  15           HA       GLU  15  -0.435   5.556  10.072
  111   1HB   GLU  15          2HB       GLU  15  -2.038   6.018   7.587
  112   2HB   GLU  15          1HB       GLU  15  -2.615   4.988   8.877
  113   1HG   GLU  15          2HG       GLU  15  -1.882   7.891   9.174
  114   2HG   GLU  15          1HG       GLU  15  -3.522   7.256   9.029
  115    H    VAL  16           H        VAL  16  -1.292   3.432  10.160
  116    HA   VAL  16           HA       VAL  16   0.217   1.612   8.407
  117    HB   VAL  16           HB       VAL  16  -0.514   1.173  11.311
  118   1HG1  VAL  16          1HG1      VAL  16   0.962  -0.786  11.158
  119   2HG1  VAL  16          2HG1      VAL  16   1.175  -0.481   9.435
  120   3HG1  VAL  16          3HG1      VAL  16  -0.414  -0.913  10.062
  121   1HG2  VAL  16          1HG2      VAL  16   1.882   1.424  11.766
  122   2HG2  VAL  16          2HG2      VAL  16   1.201   2.896  11.072
  123   3HG2  VAL  16          3HG2      VAL  16   2.163   1.812  10.069
  124    H    TYR  17           H        TYR  17  -0.882   0.069   7.380
  125    HA   TYR  17           HA       TYR  17  -3.636  -0.522   8.233
  126   1HB   TYR  17          2HB       TYR  17  -2.757  -0.074   5.368
  127   2HB   TYR  17          1HB       TYR  17  -4.371  -0.531   5.892
  128    HD1  TYR  17           HD1      TYR  17  -1.961   2.188   5.584
  129    HD2  TYR  17           HD2      TYR  17  -5.842   1.117   6.959
  130    HE1  TYR  17           HE1      TYR  17  -2.558   4.568   5.729
  131    HE2  TYR  17           HE2      TYR  17  -6.452   3.495   7.112
  132    HH   TYR  17           HH       TYR  17  -5.364   5.675   7.330
  133    H    ASP  18           H        ASP  18  -4.376  -2.605   7.719
  134    HA   ASP  18           HA       ASP  18  -2.249  -4.562   7.201
  135   1HB   ASP  18          2HB       ASP  18  -3.724  -4.931   9.160
  136   2HB   ASP  18          1HB       ASP  18  -5.122  -4.969   8.092
  137    H    VAL  19           H        VAL  19  -1.940  -5.045   5.104
  138    HA   VAL  19           HA       VAL  19  -4.319  -5.234   3.386
  139    HB   VAL  19           HB       VAL  19  -3.099  -4.168   1.539
  140   1HG1  VAL  19          1HG1      VAL  19  -4.588  -2.809   2.882
  141   2HG1  VAL  19          2HG1      VAL  19  -3.191  -1.860   2.373
  142   3HG1  VAL  19          3HG1      VAL  19  -3.286  -2.471   4.024
  143   1HG2  VAL  19          1HG2      VAL  19  -0.819  -4.668   2.242
  144   2HG2  VAL  19          2HG2      VAL  19  -0.987  -3.574   3.614
  145   3HG2  VAL  19          3HG2      VAL  19  -1.025  -2.938   1.970
  146    H    THR  20           H        THR  20  -4.317  -6.805   1.873
  147    HA   THR  20           HA       THR  20  -1.989  -8.569   1.697
  148    HB   THR  20           HB       THR  20  -4.722  -8.862   0.418
  149    HG1  THR  20           HG1      THR  20  -4.188  -8.997   2.948
  150   1HG2  THR  20          1HG2      THR  20  -4.087 -11.226   0.178
  151   2HG2  THR  20          2HG2      THR  20  -2.494 -10.861   0.842
  152   3HG2  THR  20          3HG2      THR  20  -2.987 -10.166  -0.703
  153    H    ILE  21           H        ILE  21  -0.794  -8.752  -0.194
  154    HA   ILE  21           HA       ILE  21  -0.997  -6.507  -1.996
  155    HB   ILE  21           HB       ILE  21   0.920  -8.844  -2.062
  156   1HG1  ILE  21          2HG1      ILE  21   1.067  -7.592   0.041
  157   2HG1  ILE  21          1HG1      ILE  21   2.493  -7.318  -0.952
  158   1HG2  ILE  21          1HG2      ILE  21   2.320  -7.375  -3.435
  159   2HG2  ILE  21          2HG2      ILE  21   1.054  -6.147  -3.404
  160   3HG2  ILE  21          3HG2      ILE  21   0.764  -7.693  -4.203
  161   1HD1  ILE  21          1HD1      ILE  21   1.598  -5.162  -1.650
  162   2HD1  ILE  21          2HD1      ILE  21   1.742  -5.266   0.104
  163   3HD1  ILE  21          3HD1      ILE  21   0.163  -5.440  -0.665
  164    H    GLN  22           H        GLN  22  -2.000  -6.469  -3.898
  165    HA   GLN  22           HA       GLN  22  -3.461  -8.770  -4.791
  166   1HB   GLN  22          2HB       GLN  22  -3.196  -5.944  -5.779
  167   2HB   GLN  22          1HB       GLN  22  -4.011  -7.153  -6.753
  168   1HG   GLN  22          2HG       GLN  22  -5.571  -5.799  -5.444
  169   2HG   GLN  22          1HG       GLN  22  -5.649  -7.505  -5.012
  170   1HE2  GLN  22          1HE2      GLN  22  -5.103  -8.144  -2.990
  171   2HE2  GLN  22          2HE2      GLN  22  -4.711  -7.043  -1.709
  172    H    ASP  23           H        ASP  23  -0.951  -6.740  -6.294
  173    HA   ASP  23           HA       ASP  23  -0.026  -9.080  -7.792
  174   1HB   ASP  23          2HB       ASP  23  -0.931  -6.477  -9.003
  175   2HB   ASP  23          1HB       ASP  23   0.230  -7.515  -9.823
  176    H    ILE  24           H        ILE  24   1.942  -8.210  -9.224
  177    HA   ILE  24           HA       ILE  24   3.668  -6.621  -7.454
  178    HB   ILE  24           HB       ILE  24   4.415  -9.097  -9.030
  179   1HG1  ILE  24          2HG1      ILE  24   3.311  -9.524  -6.858
  180   2HG1  ILE  24          1HG1      ILE  24   4.981 -10.069  -6.871
  181   1HG2  ILE  24          1HG2      ILE  24   6.180  -7.437  -9.210
  182   2HG2  ILE  24          2HG2      ILE  24   6.689  -8.776  -8.181
  183   3HG2  ILE  24          3HG2      ILE  24   6.198  -7.245  -7.457
  184   1HD1  ILE  24          1HD1      ILE  24   5.621  -8.028  -5.651
  185   2HD1  ILE  24          2HD1      ILE  24   4.467  -9.031  -4.769
  186   3HD1  ILE  24          3HD1      ILE  24   3.919  -7.565  -5.587
  187    H    ALA  25           H        ALA  25   4.558  -4.932  -8.427
  188    HA   ALA  25           HA       ALA  25   4.143  -4.575 -11.274
  189   1HB   ALA  25          1HB       ALA  25   3.664  -2.762  -9.697
  190   2HB   ALA  25          2HB       ALA  25   4.882  -2.302 -10.887
  191   3HB   ALA  25          3HB       ALA  25   5.367  -2.717  -9.242
  192    H    ARG  26           H        ARG  26   5.805  -4.190 -12.757
  193    HA   ARG  26           HA       ARG  26   7.907  -6.034 -12.541
  194   1HB   ARG  26          2HB       ARG  26   6.733  -4.970 -14.614
  195   2HB   ARG  26          1HB       ARG  26   8.006  -3.764 -14.487
  196   1HG   ARG  26          2HG       ARG  26   9.695  -5.499 -14.711
  197   2HG   ARG  26          1HG       ARG  26   8.431  -6.728 -14.793
  198   1HD   ARG  26          2HD       ARG  26   7.523  -5.420 -16.781
  199   2HD   ARG  26          1HD       ARG  26   9.065  -4.564 -16.777
  200    HE   ARG  26           HE       ARG  26   9.321  -7.437 -16.793
  201   1HH1  ARG  26          1HH1      ARG  26   9.017  -4.541 -18.765
  202   2HH1  ARG  26          2HH1      ARG  26   9.615  -5.326 -20.201
  203   1HH2  ARG  26          1HH2      ARG  26  10.104  -8.439 -18.705
  204   2HH2  ARG  26          2HH2      ARG  26  10.224  -7.501 -20.170
  205    H    GLN  27           H        GLN  27   7.721  -2.812 -11.444
  206    HA   GLN  27           HA       GLN  27  10.479  -2.145 -11.536
  207   1HB   GLN  27          2HB       GLN  27   8.293  -1.106  -9.725
  208   2HB   GLN  27          1HB       GLN  27   9.888  -0.388  -9.903
  209   1HG   GLN  27          2HG       GLN  27   7.812  -0.641 -12.070
  210   2HG   GLN  27          1HG       GLN  27   8.205   0.824 -11.173
  211   1HE2  GLN  27          1HE2      GLN  27  11.081   0.225 -11.161
  212   2HE2  GLN  27          2HE2      GLN  27  11.634   0.554 -12.768
  213    H    GLY  28           H        GLY  28   8.589  -4.157  -9.477
  214   1HA   GLY  28          2HA       GLY  28   9.696  -5.681  -7.964
  215   2HA   GLY  28          1HA       GLY  28  10.889  -4.429  -7.648
  216    H    ASP  29           H        ASP  29   7.662  -3.372  -7.855
  217    HA   ASP  29           HA       ASP  29   7.499  -3.199  -4.922
  218   1HB   ASP  29          2HB       ASP  29   6.210  -1.378  -6.971
  219   2HB   ASP  29          1HB       ASP  29   6.116  -1.200  -5.222
  220    H    GLY  30           H        GLY  30   5.411  -3.493  -3.980
  221   1HA   GLY  30          2HA       GLY  30   3.782  -5.368  -5.520
  222   2HA   GLY  30          1HA       GLY  30   3.680  -5.074  -3.788
  223    H    ILE  31           H        ILE  31   1.631  -5.124  -5.935
  224    HA   ILE  31           HA       ILE  31   0.682  -2.349  -5.863
  225    HB   ILE  31           HB       ILE  31  -0.332  -4.684  -7.501
  226   1HG1  ILE  31          2HG1      ILE  31   1.301  -2.282  -8.356
  227   2HG1  ILE  31          1HG1      ILE  31   1.943  -3.905  -8.132
  228   1HG2  ILE  31          1HG2      ILE  31  -1.604  -2.981  -8.740
  229   2HG2  ILE  31          2HG2      ILE  31  -1.053  -1.756  -7.598
  230   3HG2  ILE  31          3HG2      ILE  31  -2.091  -3.070  -7.047
  231   1HD1  ILE  31          1HD1      ILE  31   1.560  -3.429 -10.476
  232   2HD1  ILE  31          2HD1      ILE  31  -0.137  -3.089 -10.146
  233   3HD1  ILE  31          3HD1      ILE  31   0.494  -4.719  -9.922
  234    H    ALA  32           H        ALA  32  -0.474  -1.945  -4.109
  235    HA   ALA  32           HA       ALA  32  -2.527  -3.900  -3.297
  236   1HB   ALA  32          1HB       ALA  32  -2.525  -2.800  -1.112
  237   2HB   ALA  32          2HB       ALA  32  -1.295  -1.668  -1.673
  238   3HB   ALA  32          3HB       ALA  32  -0.913  -3.383  -1.524
  239    H    ARG  33           H        ARG  33  -4.575  -2.872  -2.498
  240    HA   ARG  33           HA       ARG  33  -5.132  -0.268  -3.697
  241   1HB   ARG  33          2HB       ARG  33  -7.162  -1.159  -4.813
  242   2HB   ARG  33          1HB       ARG  33  -5.679  -1.840  -5.473
  243   1HG   ARG  33          2HG       ARG  33  -6.003  -3.860  -4.183
  244   2HG   ARG  33          1HG       ARG  33  -7.448  -3.179  -3.443
  245   1HD   ARG  33          2HD       ARG  33  -8.442  -3.019  -5.725
  246   2HD   ARG  33          1HD       ARG  33  -7.041  -3.899  -6.338
  247    HE   ARG  33           HE       ARG  33  -7.976  -5.458  -4.304
  248   1HH1  ARG  33          1HH1      ARG  33  -9.307  -4.215  -7.289
  249   2HH1  ARG  33          2HH1      ARG  33 -10.527  -5.445  -7.403
  250   1HH2  ARG  33          1HH2      ARG  33  -9.530  -7.090  -4.459
  251   2HH2  ARG  33          2HH2      ARG  33 -10.654  -7.100  -5.790
  252    H    ILE  34           H        ILE  34  -6.414   0.931  -2.411
  253    HA   ILE  34           HA       ILE  34  -8.310  -0.502  -0.668
  254    HB   ILE  34           HB       ILE  34  -6.683   1.926   0.097
  255   1HG1  ILE  34          2HG1      ILE  34  -6.892  -0.864   1.251
  256   2HG1  ILE  34          1HG1      ILE  34  -5.513  -0.189   0.397
  257   1HG2  ILE  34          1HG2      ILE  34  -7.946   1.930   2.196
  258   2HG2  ILE  34          2HG2      ILE  34  -8.970   0.630   1.585
  259   3HG2  ILE  34          3HG2      ILE  34  -9.000   2.216   0.812
  260   1HD1  ILE  34          1HD1      ILE  34  -5.207   1.436   2.202
  261   2HD1  ILE  34          2HD1      ILE  34  -5.112  -0.230   2.779
  262   3HD1  ILE  34          3HD1      ILE  34  -6.571   0.720   3.060
  263    H    GLU  35           H        GLU  35 -10.294  -0.027  -1.148
  264    HA   GLU  35           HA       GLU  35 -12.111   0.910  -2.132
  265   1HB   GLU  35          2HB       GLU  35 -11.680   2.569  -0.305
  266   2HB   GLU  35          1HB       GLU  35 -10.767   3.538  -1.452
  267   1HG   GLU  35          2HG       GLU  35 -12.695   3.984  -2.745
  268   2HG   GLU  35          1HG       GLU  35 -13.646   2.789  -1.868
  269    H    GLY  36           H        GLY  36  -9.700   0.325  -3.709
  270   1HA   GLY  36          2HA       GLY  36  -9.530   0.300  -6.055
  271   2HA   GLY  36          1HA       GLY  36 -10.522   1.747  -6.123
  272    H    PHE  37           H        PHE  37  -8.591   2.721  -3.865
  273    HA   PHE  37           HA       PHE  37  -6.900   4.206  -5.645
  274   1HB   PHE  37          2HB       PHE  37  -7.923   5.069  -3.485
  275   2HB   PHE  37          1HB       PHE  37  -6.739   4.092  -2.627
  276    HD1  PHE  37           HD1      PHE  37  -5.128   5.417  -1.694
  277    HD2  PHE  37           HD2      PHE  37  -6.540   6.342  -5.605
  278    HE1  PHE  37           HE1      PHE  37  -3.517   7.269  -1.837
  279    HE2  PHE  37           HE2      PHE  37  -4.927   8.193  -5.754
  280    HZ   PHE  37           HZ       PHE  37  -3.413   8.658  -3.868
  281    H    VAL  38           H        VAL  38  -4.981   3.594  -6.381
  282    HA   VAL  38           HA       VAL  38  -3.924   1.041  -5.566
  283    HB   VAL  38           HB       VAL  38  -2.817   3.016  -7.574
  284   1HG1  VAL  38          1HG1      VAL  38  -2.232   0.088  -7.153
  285   2HG1  VAL  38          2HG1      VAL  38  -1.135   1.433  -6.842
  286   3HG1  VAL  38          3HG1      VAL  38  -1.634   1.066  -8.494
  287   1HG2  VAL  38          1HG2      VAL  38  -4.631   0.638  -7.975
  288   2HG2  VAL  38          2HG2      VAL  38  -3.893   1.592  -9.263
  289   3HG2  VAL  38          3HG2      VAL  38  -5.067   2.335  -8.177
  290    H    ILE  39           H        ILE  39  -2.325   0.637  -4.235
  291    HA   ILE  39           HA       ILE  39  -0.595   2.854  -3.339
  292    HB   ILE  39           HB       ILE  39  -1.345   0.437  -1.683
  293   1HG1  ILE  39          2HG1      ILE  39  -2.542   3.220  -1.549
  294   2HG1  ILE  39          1HG1      ILE  39  -3.361   1.798  -2.183
  295   1HG2  ILE  39          1HG2      ILE  39  -0.092   3.086  -0.961
  296   2HG2  ILE  39          2HG2      ILE  39   0.738   1.535  -1.064
  297   3HG2  ILE  39          3HG2      ILE  39  -0.491   1.794   0.175
  298   1HD1  ILE  39          1HD1      ILE  39  -4.090   2.297   0.070
  299   2HD1  ILE  39          2HD1      ILE  39  -2.428   2.185   0.648
  300   3HD1  ILE  39          3HD1      ILE  39  -3.240   0.752   0.018
  301    H    PHE  40           H        PHE  40   1.550   2.529  -3.610
  302    HA   PHE  40           HA       PHE  40   2.410  -0.130  -4.512
  303   1HB   PHE  40          2HB       PHE  40   3.699   2.587  -4.822
  304   2HB   PHE  40          1HB       PHE  40   4.453   1.078  -5.329
  305    HD1  PHE  40           HD1      PHE  40   2.083   3.659  -6.170
  306    HD2  PHE  40           HD2      PHE  40   3.360  -0.291  -7.112
  307    HE1  PHE  40           HE1      PHE  40   0.919   3.803  -8.333
  308    HE2  PHE  40           HE2      PHE  40   2.202  -0.152  -9.279
  309    HZ   PHE  40           HZ       PHE  40   0.979   1.901  -9.890
  310    H    VAL  41           H        VAL  41   3.594  -1.376  -3.259
  311    HA   VAL  41           HA       VAL  41   4.988  -0.167  -0.960
  312    HB   VAL  41           HB       VAL  41   3.698  -2.906  -0.990
  313   1HG1  VAL  41          1HG1      VAL  41   4.916  -1.298   1.258
  314   2HG1  VAL  41          2HG1      VAL  41   5.635  -2.717   0.497
  315   3HG1  VAL  41          3HG1      VAL  41   4.141  -2.872   1.419
  316   1HG2  VAL  41          1HG2      VAL  41   2.735  -0.358   0.316
  317   2HG2  VAL  41          2HG2      VAL  41   2.011  -1.953   0.516
  318   3HG2  VAL  41          3HG2      VAL  41   1.983  -1.165  -1.062
  319    HA   PRO  42           HA       PRO  42   8.417  -1.938  -3.293
  320   1HB   PRO  42          2HB       PRO  42   9.906  -0.916  -0.944
  321   2HB   PRO  42          1HB       PRO  42  10.164  -0.605  -2.664
  322   1HG   PRO  42          2HG       PRO  42   9.112   1.260  -1.071
  323   2HG   PRO  42          1HG       PRO  42   8.555   1.052  -2.743
  324   1HD   PRO  42          2HD       PRO  42   7.258   0.178  -0.193
  325   2HD   PRO  42          1HD       PRO  42   6.524   0.848  -1.664
  326    H    GLY  43           H        GLY  43   8.938  -4.019  -3.228
  327   1HA   GLY  43          2HA       GLY  43   9.942  -5.942  -2.445
  328   2HA   GLY  43          1HA       GLY  43  10.235  -5.119  -0.922
  329    H    THR  44           H        THR  44   7.452  -6.349  -2.780
  330    HA   THR  44           HA       THR  44   6.633  -7.825  -0.383
  331    HB   THR  44           HB       THR  44   4.217  -7.328  -1.221
  332    HG1  THR  44           HG1      THR  44   5.280  -4.850  -1.986
  333   1HG2  THR  44          1HG2      THR  44   4.084  -5.379   0.242
  334   2HG2  THR  44          2HG2      THR  44   5.837  -5.201   0.180
  335   3HG2  THR  44          3HG2      THR  44   5.123  -6.619   0.947
  336    H    LYS  45           H        LYS  45   4.434  -9.144  -1.370
  337    HA   LYS  45           HA       LYS  45   5.316 -10.462  -3.826
  338   1HB   LYS  45          2HB       LYS  45   6.445 -11.625  -1.983
  339   2HB   LYS  45          1HB       LYS  45   4.897 -11.892  -1.197
  340   1HG   LYS  45          2HG       LYS  45   4.205 -13.415  -2.854
  341   2HG   LYS  45          1HG       LYS  45   5.526 -12.953  -3.932
  342   1HD   LYS  45          2HD       LYS  45   5.986 -15.087  -2.870
  343   2HD   LYS  45          1HD       LYS  45   7.138 -13.861  -2.339
  344   1HE   LYS  45          2HE       LYS  45   5.753 -13.529  -0.298
  345   2HE   LYS  45          1HE       LYS  45   4.739 -14.876  -0.816
  346   1HZ   LYS  45          1HZ       LYS  45   6.368 -15.622   0.771
  347   2HZ   LYS  45          2HZ       LYS  45   7.636 -15.001  -0.167
  348   3HZ   LYS  45          3HZ       LYS  45   6.713 -16.306  -0.743
  349    H    VAL  46           H        VAL  46   3.679 -11.775  -4.824
  350    HA   VAL  46           HA       VAL  46   1.084 -10.733  -4.703
  351    HB   VAL  46           HB       VAL  46   1.901 -13.450  -5.755
  352   1HG1  VAL  46          1HG1      VAL  46  -0.500 -13.276  -5.478
  353   2HG1  VAL  46          2HG1      VAL  46  -0.086 -13.232  -7.192
  354   3HG1  VAL  46          3HG1      VAL  46  -0.515 -11.741  -6.349
  355   1HG2  VAL  46          1HG2      VAL  46   1.736 -10.798  -7.182
  356   2HG2  VAL  46          2HG2      VAL  46   2.072 -12.357  -7.935
  357   3HG2  VAL  46          3HG2      VAL  46   3.213 -11.672  -6.778
  358    H    GLY  47           H        GLY  47  -0.442 -10.974  -3.225
  359   1HA   GLY  47          2HA       GLY  47  -1.951 -12.088  -1.868
  360   2HA   GLY  47          1HA       GLY  47  -1.076 -13.583  -2.167
  361    H    ASP  48           H        ASP  48   1.111 -11.248  -1.234
  362    HA   ASP  48           HA       ASP  48   1.480 -12.519   1.314
  363   1HB   ASP  48          2HB       ASP  48   3.334 -11.610  -0.193
  364   2HB   ASP  48          1HB       ASP  48   2.874 -10.010   0.379
  365    H    GLU  49           H        GLU  49   0.531 -11.976   3.146
  366    HA   GLU  49           HA       GLU  49  -0.997  -9.510   3.291
  367   1HB   GLU  49          2HB       GLU  49  -0.741 -11.778   5.270
  368   2HB   GLU  49          1HB       GLU  49  -1.864 -10.430   5.400
  369   1HG   GLU  49          2HG       GLU  49  -2.930 -11.155   3.301
  370   2HG   GLU  49          1HG       GLU  49  -1.840 -12.540   3.254
  371    H    VAL  50           H        VAL  50   0.098  -7.748   3.815
  372    HA   VAL  50           HA       VAL  50   2.043  -7.932   6.005
  373    HB   VAL  50           HB       VAL  50   3.430  -6.211   4.796
  374   1HG1  VAL  50          1HG1      VAL  50   3.149  -8.909   3.478
  375   2HG1  VAL  50          2HG1      VAL  50   4.103  -8.551   4.917
  376   3HG1  VAL  50          3HG1      VAL  50   4.550  -7.846   3.364
  377   1HG2  VAL  50          1HG2      VAL  50   1.780  -5.439   3.194
  378   2HG2  VAL  50          2HG2      VAL  50   1.708  -7.043   2.464
  379   3HG2  VAL  50          3HG2      VAL  50   3.187  -6.091   2.351
  380    H    ARG  51           H        ARG  51   2.217  -6.169   7.335
  381    HA   ARG  51           HA       ARG  51   0.065  -4.207   7.079
  382   1HB   ARG  51          2HB       ARG  51   1.840  -4.957   9.413
  383   2HB   ARG  51          1HB       ARG  51   0.611  -3.692   9.462
  384   1HG   ARG  51          2HG       ARG  51  -1.139  -5.223   9.193
  385   2HG   ARG  51          1HG       ARG  51  -0.052  -6.498   8.653
  386   1HD   ARG  51          2HD       ARG  51   0.918  -6.575  10.928
  387   2HD   ARG  51          1HD       ARG  51  -0.273  -5.377  11.443
  388    HE   ARG  51           HE       ARG  51  -1.928  -7.151  10.525
  389   1HH1  ARG  51          1HH1      ARG  51   1.036  -7.811  12.280
  390   2HH1  ARG  51          2HH1      ARG  51   0.488  -9.350  12.880
  391   1HH2  ARG  51          1HH2      ARG  51  -2.647  -9.155  11.299
  392   2HH2  ARG  51          2HH2      ARG  51  -1.618 -10.119  12.319
  393    H    ILE  52           H        ILE  52   0.505  -2.286   6.313
  394    HA   ILE  52           HA       ILE  52   3.344  -1.539   6.047
  395    HB   ILE  52           HB       ILE  52   2.741  -0.434   3.935
  396   1HG1  ILE  52          2HG1      ILE  52   0.019  -1.707   4.325
  397   2HG1  ILE  52          1HG1      ILE  52   0.359   0.006   4.533
  398   1HG2  ILE  52          1HG2      ILE  52   2.366  -2.466   2.603
  399   2HG2  ILE  52          2HG2      ILE  52   1.932  -3.338   4.074
  400   3HG2  ILE  52          3HG2      ILE  52   3.570  -2.716   3.868
  401   1HD1  ILE  52          1HD1      ILE  52   0.958   0.181   2.187
  402   2HD1  ILE  52          2HD1      ILE  52  -0.676  -0.454   2.384
  403   3HD1  ILE  52          3HD1      ILE  52   0.652  -1.543   1.976
  404    H    LYS  53           H        LYS  53   3.867   0.669   6.076
  405    HA   LYS  53           HA       LYS  53   1.803   2.398   7.248
  406   1HB   LYS  53          2HB       LYS  53   3.882   2.263   8.572
  407   2HB   LYS  53          1HB       LYS  53   4.807   2.799   7.173
  408   1HG   LYS  53          2HG       LYS  53   3.285   4.872   7.215
  409   2HG   LYS  53          1HG       LYS  53   2.866   4.355   8.847
  410   1HD   LYS  53          2HD       LYS  53   5.698   4.790   7.922
  411   2HD   LYS  53          1HD       LYS  53   4.720   6.052   8.668
  412   1HE   LYS  53          2HE       LYS  53   4.486   4.711  10.678
  413   2HE   LYS  53          1HE       LYS  53   5.413   3.404   9.932
  414   1HZ   LYS  53          1HZ       LYS  53   7.301   4.947   9.756
  415   2HZ   LYS  53          2HZ       LYS  53   6.833   4.692  11.362
  416   3HZ   LYS  53          3HZ       LYS  53   6.407   6.132  10.575
  417    H    VAL  54           H        VAL  54   0.812   3.670   5.840
  418    HA   VAL  54           HA       VAL  54   1.856   4.249   3.253
  419    HB   VAL  54           HB       VAL  54  -0.387   5.607   4.771
  420   1HG1  VAL  54          1HG1      VAL  54  -1.092   6.450   2.575
  421   2HG1  VAL  54          2HG1      VAL  54   0.360   5.757   1.851
  422   3HG1  VAL  54          3HG1      VAL  54   0.498   7.061   3.032
  423   1HG2  VAL  54          1HG2      VAL  54  -0.796   3.238   4.348
  424   2HG2  VAL  54          2HG2      VAL  54  -0.451   3.479   2.635
  425   3HG2  VAL  54          3HG2      VAL  54  -1.857   4.250   3.369
  426    H    GLU  55           H        GLU  55   3.384   5.602   2.811
  427    HA   GLU  55           HA       GLU  55   4.350   7.437   4.853
  428   1HB   GLU  55          2HB       GLU  55   5.468   6.310   2.301
  429   2HB   GLU  55          1HB       GLU  55   6.240   7.666   3.108
  430   1HG   GLU  55          2HG       GLU  55   5.659   5.120   4.568
  431   2HG   GLU  55          1HG       GLU  55   7.102   5.302   3.571
  432    H    ARG  56           H        ARG  56   3.264   7.451   1.480
  433    HA   ARG  56           HA       ARG  56   3.021  10.377   1.605
  434   1HB   ARG  56          2HB       ARG  56   4.105   9.007  -0.847
  435   2HB   ARG  56          1HB       ARG  56   4.165  10.713  -0.432
  436   1HG   ARG  56          2HG       ARG  56   5.837  10.328   1.219
  437   2HG   ARG  56          1HG       ARG  56   5.668   8.578   1.063
  438   1HD   ARG  56          2HD       ARG  56   6.289   8.984  -1.411
  439   2HD   ARG  56          1HD       ARG  56   6.885  10.541  -0.838
  440    HE   ARG  56           HE       ARG  56   8.101   8.862   0.855
  441   1HH1  ARG  56          1HH1      ARG  56   7.781   8.779  -2.639
  442   2HH1  ARG  56          2HH1      ARG  56   9.263   7.902  -2.883
  443   1HH2  ARG  56          1HH2      ARG  56  10.037   7.667   0.536
  444   2HH2  ARG  56          2HH2      ARG  56  10.530   7.244  -1.076
  445    H    VAL  57           H        VAL  57   1.325  11.210   0.434
  446    HA   VAL  57           HA       VAL  57  -0.229   9.297  -1.182
  447    HB   VAL  57           HB       VAL  57  -2.323  10.450  -0.542
  448   1HG1  VAL  57          1HG1      VAL  57  -0.747   9.300   1.752
  449   2HG1  VAL  57          2HG1      VAL  57  -1.722   8.404   0.586
  450   3HG1  VAL  57          3HG1      VAL  57  -2.497   9.507   1.721
  451   1HG2  VAL  57          1HG2      VAL  57  -2.375  11.907   1.421
  452   2HG2  VAL  57          2HG2      VAL  57  -1.412  12.613   0.124
  453   3HG2  VAL  57          3HG2      VAL  57  -0.612  11.863   1.504
  454    H    LEU  58           H        LEU  58  -0.220   9.844  -3.213
  455    HA   LEU  58           HA       LEU  58   0.004  12.693  -3.926
  456   1HB   LEU  58          2HB       LEU  58   0.911  10.247  -5.460
  457   2HB   LEU  58          1HB       LEU  58   0.943  11.880  -6.095
  458    HG   LEU  58           HG       LEU  58   2.475  12.415  -4.086
  459   1HD1  LEU  58          1HD1      LEU  58   3.812  10.536  -3.286
  460   2HD1  LEU  58          2HD1      LEU  58   2.779   9.417  -4.175
  461   3HD1  LEU  58          3HD1      LEU  58   2.115  10.357  -2.838
  462   1HD2  LEU  58          1HD2      LEU  58   3.444  10.644  -6.322
  463   2HD2  LEU  58          2HD2      LEU  58   4.440  11.725  -5.347
  464   3HD2  LEU  58          3HD2      LEU  58   3.199  12.389  -6.410
  465    HA   PRO  59           HA       PRO  59  -3.939  12.368  -5.933
  466   1HB   PRO  59          2HB       PRO  59  -3.604  14.108  -8.003
  467   2HB   PRO  59          1HB       PRO  59  -3.863  14.624  -6.333
  468   1HG   PRO  59          2HG       PRO  59  -1.308  14.409  -7.877
  469   2HG   PRO  59          1HG       PRO  59  -1.846  15.689  -6.774
  470   1HD   PRO  59          2HD       PRO  59  -0.092  13.775  -6.027
  471   2HD   PRO  59          1HD       PRO  59  -1.259  14.486  -4.894
  472    H    LYS  60           H        LYS  60  -1.319  10.895  -7.008
  473    HA   LYS  60           HA       LYS  60  -2.542   9.997  -9.529
  474   1HB   LYS  60          2HB       LYS  60   0.376  10.154  -8.749
  475   2HB   LYS  60          1HB       LYS  60  -0.211   9.368 -10.208
  476   1HG   LYS  60          2HG       LYS  60  -0.980  11.426 -11.108
  477   2HG   LYS  60          1HG       LYS  60  -0.721  12.262  -9.575
  478   1HD   LYS  60          2HD       LYS  60   1.647  12.063  -9.777
  479   2HD   LYS  60          1HD       LYS  60   1.497  10.974 -11.156
  480   1HE   LYS  60          2HE       LYS  60   0.551  13.835 -11.151
  481   2HE   LYS  60          1HE       LYS  60   2.129  13.316 -11.747
  482   1HZ   LYS  60          1HZ       LYS  60  -0.521  12.487 -12.810
  483   2HZ   LYS  60          2HZ       LYS  60   0.971  11.866 -13.334
  484   3HZ   LYS  60          3HZ       LYS  60   0.607  13.504 -13.570
  485    H    PHE  61           H        PHE  61  -1.086   9.119  -6.484
  486    HA   PHE  61           HA       PHE  61  -2.155   6.547  -6.357
  487   1HB   PHE  61          2HB       PHE  61  -0.154   5.150  -6.667
  488   2HB   PHE  61          1HB       PHE  61  -0.555   6.000  -8.155
  489    HD1  PHE  61           HD1      PHE  61   1.851   5.675  -5.426
  490    HD2  PHE  61           HD2      PHE  61   0.878   7.760  -9.005
  491    HE1  PHE  61           HE1      PHE  61   4.147   6.553  -5.534
  492    HE2  PHE  61           HE2      PHE  61   3.169   8.642  -9.120
  493    HZ   PHE  61           HZ       PHE  61   4.807   8.042  -7.381
  494    H    ALA  62           H        ALA  62  -1.080   5.265  -4.520
  495    HA   ALA  62           HA       ALA  62  -0.034   7.175  -2.535
  496   1HB   ALA  62          1HB       ALA  62  -1.392   4.527  -2.053
  497   2HB   ALA  62          2HB       ALA  62  -2.163   6.107  -1.931
  498   3HB   ALA  62          3HB       ALA  62  -0.865   5.672  -0.819
  499    H    PHE  63           H        PHE  63   1.764   6.630  -1.298
  500    HA   PHE  63           HA       PHE  63   3.269   4.267  -2.213
  501   1HB   PHE  63          2HB       PHE  63   4.226   6.456  -3.007
  502   2HB   PHE  63          1HB       PHE  63   4.466   6.901  -1.319
  503    HD1  PHE  63           HD1      PHE  63   5.545   4.686  -4.032
  504    HD2  PHE  63           HD2      PHE  63   6.241   5.935  -0.021
  505    HE1  PHE  63           HE1      PHE  63   7.733   3.563  -4.066
  506    HE2  PHE  63           HE2      PHE  63   8.430   4.812  -0.048
  507    HZ   PHE  63           HZ       PHE  63   9.178   3.627  -2.073
  508    H    ALA  64           H        ALA  64   3.717   2.860  -0.643
  509    HA   ALA  64           HA       ALA  64   3.786   3.814   2.138
  510   1HB   ALA  64          1HB       ALA  64   2.252   1.405   1.174
  511   2HB   ALA  64          2HB       ALA  64   1.543   2.936   1.690
  512   3HB   ALA  64          3HB       ALA  64   2.415   1.935   2.849
  513    H    SER  65           H        SER  65   5.002   2.513   3.563
  514    HA   SER  65           HA       SER  65   6.780   0.599   2.204
  515   1HB   SER  65          2HB       SER  65   7.891   2.665   3.097
  516   2HB   SER  65          1HB       SER  65   7.383   2.182   4.715
  517    HG   SER  65           HG       SER  65   9.229   1.155   4.691
  518    H    VAL  66           H        VAL  66   7.266  -1.351   3.303
  519    HA   VAL  66           HA       VAL  66   5.040  -2.254   4.896
  520    HB   VAL  66           HB       VAL  66   5.820  -3.696   3.111
  521   1HG1  VAL  66          1HG1      VAL  66   8.165  -3.091   3.052
  522   2HG1  VAL  66          2HG1      VAL  66   7.985  -4.838   3.216
  523   3HG1  VAL  66          3HG1      VAL  66   8.426  -3.861   4.617
  524   1HG2  VAL  66          1HG2      VAL  66   6.314  -4.836   5.855
  525   2HG2  VAL  66          2HG2      VAL  66   6.100  -5.797   4.391
  526   3HG2  VAL  66          3HG2      VAL  66   4.782  -4.785   4.981
  527    H    VAL  67           H        VAL  67   4.986  -2.118   7.014
  528    HA   VAL  67           HA       VAL  67   7.490  -1.951   8.513
  529    HB   VAL  67           HB       VAL  67   5.650  -0.238   8.864
  530   1HG1  VAL  67          1HG1      VAL  67   4.291  -2.522  10.284
  531   2HG1  VAL  67          2HG1      VAL  67   3.740  -1.746   8.801
  532   3HG1  VAL  67          3HG1      VAL  67   3.779  -0.835  10.309
  533   1HG2  VAL  67          1HG2      VAL  67   7.443  -0.486  10.469
  534   2HG2  VAL  67          2HG2      VAL  67   6.580  -1.801  11.268
  535   3HG2  VAL  67          3HG2      VAL  67   5.924  -0.164  11.306
  536    H    GLU  68           H        GLU  68   5.796  -4.204   7.310
  537    HA   GLU  68           HA       GLU  68   5.673  -6.436   7.540
  538   1HB   GLU  68          2HB       GLU  68   7.935  -6.134   8.634
  539   2HB   GLU  68          1HB       GLU  68   7.099  -6.185  10.180
  540   1HG   GLU  68          2HG       GLU  68   6.385  -8.418   9.817
  541   2HG   GLU  68          1HG       GLU  68   6.914  -8.376   8.134
  Start of MODEL    9
    1   1H    MET   1          1HT       MET   1 -14.272  15.405  -0.223
    2   2H    MET   1          2HT       MET   1 -13.001  15.036  -1.278
    3   3H    MET   1          3HT       MET   1 -14.563  14.471  -1.615
    4    HA   MET   1           HA       MET   1 -13.800  17.331  -1.489
    5   1HB   MET   1          2HB       MET   1 -14.102  15.484  -3.864
    6   2HB   MET   1          1HB       MET   1 -14.066  17.236  -3.995
    7   1HG   MET   1          2HG       MET   1 -11.901  16.386  -4.520
    8   2HG   MET   1          1HG       MET   1 -11.812  17.221  -2.972
    9   1HE   MET   1          1HE       MET   1 -11.722  13.802  -4.849
   10   2HE   MET   1          2HE       MET   1 -13.163  13.591  -3.852
   11   3HE   MET   1          3HE       MET   1 -11.716  12.636  -3.526
   12    H    PHE   2           H        PHE   2 -15.554  18.390  -0.869
   13    HA   PHE   2           HA       PHE   2 -17.638  19.275  -0.873
   14   1HB   PHE   2          2HB       PHE   2 -17.982  17.726  -3.450
   15   2HB   PHE   2          1HB       PHE   2 -19.092  18.955  -2.853
   16    HD1  PHE   2           HD1      PHE   2 -18.161  21.304  -2.495
   17    HD2  PHE   2           HD2      PHE   2 -16.165  18.317  -4.773
   18    HE1  PHE   2           HE1      PHE   2 -16.839  23.048  -3.618
   19    HE2  PHE   2           HE2      PHE   2 -14.837  20.054  -5.899
   20    HZ   PHE   2           HZ       PHE   2 -15.173  22.422  -5.322
   21    H    ARG   3           H        ARG   3 -18.511  18.458   0.910
   22    HA   ARG   3           HA       ARG   3 -19.738  17.191   2.321
   23   1HB   ARG   3          2HB       ARG   3 -20.675  15.940  -0.252
   24   2HB   ARG   3          1HB       ARG   3 -21.216  15.352   1.316
   25   1HG   ARG   3          2HG       ARG   3 -22.142  17.531   1.844
   26   2HG   ARG   3          1HG       ARG   3 -21.544  18.176   0.316
   27   1HD   ARG   3          2HD       ARG   3 -23.042  16.839  -0.938
   28   2HD   ARG   3          1HD       ARG   3 -23.461  15.865   0.471
   29    HE   ARG   3           HE       ARG   3 -24.377  18.097   1.354
   30   1HH1  ARG   3          1HH1      ARG   3 -24.434  17.108  -2.013
   31   2HH1  ARG   3          2HH1      ARG   3 -25.861  18.025  -2.384
   32   1HH2  ARG   3          1HH2      ARG   3 -26.233  19.324   0.848
   33   2HH2  ARG   3          2HH2      ARG   3 -26.873  19.305  -0.768
   34    H    GLU   4           H        GLU   4 -17.389  15.993   0.295
   35    HA   GLU   4           HA       GLU   4 -15.609  14.711   0.680
   36   1HB   GLU   4          2HB       GLU   4 -16.674  14.627   3.494
   37   2HB   GLU   4          1HB       GLU   4 -15.100  14.007   3.004
   38   1HG   GLU   4          2HG       GLU   4 -16.068  16.839   3.066
   39   2HG   GLU   4          1HG       GLU   4 -14.627  16.136   3.803
   40    H    GLU   5           H        GLU   5 -18.544  13.488   0.400
   41    HA   GLU   5           HA       GLU   5 -19.244  11.453  -0.357
   42   1HB   GLU   5          2HB       GLU   5 -16.275  10.914  -0.588
   43   2HB   GLU   5          1HB       GLU   5 -17.559  10.079  -1.454
   44   1HG   GLU   5          2HG       GLU   5 -17.852  11.757  -2.935
   45   2HG   GLU   5          1HG       GLU   5 -17.463  13.010  -1.758
   46    H    SER   6           H        SER   6 -17.917   8.893  -0.065
   47    HA   SER   6           HA       SER   6 -18.466   8.399   2.742
   48   1HB   SER   6          2HB       SER   6 -19.354   6.837   1.052
   49   2HB   SER   6          1HB       SER   6 -17.712   6.474   0.521
   50    HG   SER   6           HG       SER   6 -18.501   6.122   3.216
   51    H    ARG   7           H        ARG   7 -15.773   8.205   0.461
   52    HA   ARG   7           HA       ARG   7 -13.966   7.854   2.757
   53   1HB   ARG   7          2HB       ARG   7 -13.786   6.822  -0.057
   54   2HB   ARG   7          1HB       ARG   7 -12.358   6.956   0.962
   55   1HG   ARG   7          2HG       ARG   7 -14.823   5.368   1.651
   56   2HG   ARG   7          1HG       ARG   7 -13.336   4.700   0.971
   57   1HD   ARG   7          2HD       ARG   7 -12.110   5.627   2.935
   58   2HD   ARG   7          1HD       ARG   7 -13.666   6.086   3.627
   59    HE   ARG   7           HE       ARG   7 -14.136   3.554   3.348
   60   1HH1  ARG   7          1HH1      ARG   7 -11.080   5.003   4.215
   61   2HH1  ARG   7          2HH1      ARG   7 -10.534   3.644   5.148
   62   1HH2  ARG   7          1HH2      ARG   7 -13.436   1.743   4.559
   63   2HH2  ARG   7          2HH2      ARG   7 -11.887   1.779   5.338
   64    H    SER   8           H        SER   8 -13.813   9.038  -0.578
   65    HA   SER   8           HA       SER   8 -12.762  10.704  -1.604
   66   1HB   SER   8          2HB       SER   8 -12.515  12.883  -0.603
   67   2HB   SER   8          1HB       SER   8 -14.048  12.188  -0.083
   68    HG   SER   8           HG       SER   8 -12.661  11.445   1.808
   69    H    VAL   9           H        VAL   9 -11.350   9.307   1.025
   70    HA   VAL   9           HA       VAL   9  -8.768   9.205  -0.205
   71    HB   VAL   9           HB       VAL   9  -7.673   9.865   2.089
   72   1HG1  VAL   9          1HG1      VAL   9  -8.668  11.918   0.119
   73   2HG1  VAL   9          2HG1      VAL   9  -7.169  10.996   0.016
   74   3HG1  VAL   9          3HG1      VAL   9  -7.385  12.186   1.299
   75   1HG2  VAL   9          1HG2      VAL   9  -8.803  11.717   3.221
   76   2HG2  VAL   9          2HG2      VAL   9  -9.758  10.236   3.302
   77   3HG2  VAL   9          3HG2      VAL   9 -10.201  11.510   2.166
   78    HA   PRO  10           HA       PRO  10  -9.811   5.253   1.729
   79   1HB   PRO  10          2HB       PRO  10  -7.380   4.422   0.269
   80   2HB   PRO  10          1HB       PRO  10  -9.014   3.755   0.202
   81   1HG   PRO  10          2HG       PRO  10  -8.016   5.197  -1.820
   82   2HG   PRO  10          1HG       PRO  10  -9.726   5.305  -1.363
   83   1HD   PRO  10          2HD       PRO  10  -7.480   7.189  -0.770
   84   2HD   PRO  10          1HD       PRO  10  -9.162   7.544  -1.216
   85    H    VAL  11           H        VAL  11  -6.531   6.566   1.450
   86    HA   VAL  11           HA       VAL  11  -5.970   5.601   4.168
   87    HB   VAL  11           HB       VAL  11  -3.623   5.187   3.508
   88   1HG1  VAL  11          1HG1      VAL  11  -5.656   3.623   1.926
   89   2HG1  VAL  11          2HG1      VAL  11  -5.172   3.321   3.595
   90   3HG1  VAL  11          3HG1      VAL  11  -4.012   3.096   2.284
   91   1HG2  VAL  11          1HG2      VAL  11  -3.497   6.670   1.571
   92   2HG2  VAL  11          2HG2      VAL  11  -4.619   5.630   0.692
   93   3HG2  VAL  11          3HG2      VAL  11  -3.023   5.029   1.138
   94    H    GLU  12           H        GLU  12  -4.209   6.815   5.234
   95    HA   GLU  12           HA       GLU  12  -3.860   9.511   4.131
   96   1HB   GLU  12          2HB       GLU  12  -4.066  10.409   6.460
   97   2HB   GLU  12          1HB       GLU  12  -5.560   9.781   5.781
   98   1HG   GLU  12          2HG       GLU  12  -5.271   7.716   7.052
   99   2HG   GLU  12          1HG       GLU  12  -3.771   8.349   7.733
  100    H    GLU  13           H        GLU  13  -2.007  10.658   5.009
  101    HA   GLU  13           HA       GLU  13   0.278   9.008   4.834
  102   1HB   GLU  13          2HB       GLU  13   0.130  11.907   5.658
  103   2HB   GLU  13          1HB       GLU  13   1.564  11.052   5.104
  104   1HG   GLU  13          2HG       GLU  13   0.404  10.648   2.945
  105   2HG   GLU  13          1HG       GLU  13  -0.902  11.686   3.511
  106    H    GLY  14           H        GLY  14   1.542   8.126   6.287
  107   1HA   GLY  14          2HA       GLY  14   2.702   7.853   8.263
  108   2HA   GLY  14          1HA       GLY  14   1.808   9.186   8.963
  109    H    GLU  15           H        GLU  15   0.286   6.429   7.422
  110    HA   GLU  15           HA       GLU  15  -0.490   5.486  10.113
  111   1HB   GLU  15          2HB       GLU  15  -2.289   5.790   7.726
  112   2HB   GLU  15          1HB       GLU  15  -2.713   4.843   9.133
  113   1HG   GLU  15          2HG       GLU  15  -2.041   7.770   9.237
  114   2HG   GLU  15          1HG       GLU  15  -3.680   7.134   9.095
  115    H    VAL  16           H        VAL  16  -1.171   3.266  10.204
  116    HA   VAL  16           HA       VAL  16   0.279   1.668   8.197
  117    HB   VAL  16           HB       VAL  16   1.588   1.712  10.222
  118   1HG1  VAL  16          1HG1      VAL  16   0.750   0.844  12.352
  119   2HG1  VAL  16          2HG1      VAL  16  -0.859   0.680  11.647
  120   3HG1  VAL  16          3HG1      VAL  16  -0.137   2.278  11.833
  121   1HG2  VAL  16          1HG2      VAL  16   1.693  -0.698  10.731
  122   2HG2  VAL  16          2HG2      VAL  16   1.603  -0.368   9.002
  123   3HG2  VAL  16          3HG2      VAL  16   0.172  -0.924   9.870
  124    H    TYR  17           H        TYR  17  -0.787   0.085   7.260
  125    HA   TYR  17           HA       TYR  17  -3.318  -0.825   8.464
  126   1HB   TYR  17          2HB       TYR  17  -2.823  -0.482   5.498
  127   2HB   TYR  17          1HB       TYR  17  -4.348  -0.872   6.283
  128    HD1  TYR  17           HD1      TYR  17  -2.014   1.775   5.390
  129    HD2  TYR  17           HD2      TYR  17  -5.619   0.875   7.469
  130    HE1  TYR  17           HE1      TYR  17  -2.576   4.170   5.436
  131    HE2  TYR  17           HE2      TYR  17  -6.192   3.266   7.518
  132    HH   TYR  17           HH       TYR  17  -5.020   5.445   7.394
  133    H    ASP  18           H        ASP  18  -3.514  -2.990   8.624
  134    HA   ASP  18           HA       ASP  18  -1.404  -4.684   7.594
  135   1HB   ASP  18          2HB       ASP  18  -2.390  -5.104   9.823
  136   2HB   ASP  18          1HB       ASP  18  -3.950  -5.416   9.068
  137    H    VAL  19           H        VAL  19  -1.491  -4.897   5.433
  138    HA   VAL  19           HA       VAL  19  -4.132  -5.309   4.182
  139    HB   VAL  19           HB       VAL  19  -3.194  -4.355   2.129
  140   1HG1  VAL  19          1HG1      VAL  19  -2.959  -2.026   2.892
  141   2HG1  VAL  19          2HG1      VAL  19  -2.818  -2.602   4.554
  142   3HG1  VAL  19          3HG1      VAL  19  -4.317  -2.850   3.658
  143   1HG2  VAL  19          1HG2      VAL  19  -0.872  -5.027   2.449
  144   2HG2  VAL  19          2HG2      VAL  19  -0.714  -3.884   3.784
  145   3HG2  VAL  19          3HG2      VAL  19  -0.988  -3.292   2.143
  146    H    THR  20           H        THR  20  -4.037  -6.471   2.086
  147    HA   THR  20           HA       THR  20  -1.892  -8.490   2.002
  148    HB   THR  20           HB       THR  20  -4.721  -8.844   0.979
  149    HG1  THR  20           HG1      THR  20  -3.914  -8.858   3.479
  150   1HG2  THR  20          1HG2      THR  20  -2.460 -10.811   1.376
  151   2HG2  THR  20          2HG2      THR  20  -3.056 -10.216  -0.172
  152   3HG2  THR  20          3HG2      THR  20  -4.092 -11.217   0.844
  153    H    ILE  21           H        ILE  21  -0.707  -8.518   0.170
  154    HA   ILE  21           HA       ILE  21  -1.020  -6.394  -1.686
  155    HB   ILE  21           HB       ILE  21   0.768  -8.823  -1.844
  156   1HG1  ILE  21          2HG1      ILE  21   1.185  -7.483   0.151
  157   2HG1  ILE  21          1HG1      ILE  21   2.504  -7.291  -0.994
  158   1HG2  ILE  21          1HG2      ILE  21   0.478  -7.805  -4.029
  159   2HG2  ILE  21          2HG2      ILE  21   2.102  -7.497  -3.414
  160   3HG2  ILE  21          3HG2      ILE  21   0.883  -6.223  -3.363
  161   1HD1  ILE  21          1HD1      ILE  21   0.260  -5.338  -0.548
  162   2HD1  ILE  21          2HD1      ILE  21   1.587  -5.142  -1.692
  163   3HD1  ILE  21          3HD1      ILE  21   1.915  -5.178   0.040
  164    H    GLN  22           H        GLN  22  -2.328  -6.287  -3.325
  165    HA   GLN  22           HA       GLN  22  -3.841  -8.606  -4.150
  166   1HB   GLN  22          2HB       GLN  22  -4.026  -5.681  -4.878
  167   2HB   GLN  22          1HB       GLN  22  -5.119  -6.912  -5.489
  168   1HG   GLN  22          2HG       GLN  22  -4.781  -6.679  -2.550
  169   2HG   GLN  22          1HG       GLN  22  -5.718  -5.441  -3.388
  170   1HE2  GLN  22          1HE2      GLN  22  -5.526  -8.833  -2.564
  171   2HE2  GLN  22          2HE2      GLN  22  -7.175  -9.207  -2.935
  172    H    ASP  23           H        ASP  23  -1.518  -6.351  -5.591
  173    HA   ASP  23           HA       ASP  23  -1.163  -8.226  -7.803
  174   1HB   ASP  23          2HB       ASP  23  -2.858  -6.278  -8.318
  175   2HB   ASP  23          1HB       ASP  23  -1.397  -5.310  -8.477
  176    H    ILE  24           H        ILE  24   0.665  -7.073  -9.307
  177    HA   ILE  24           HA       ILE  24   2.755  -6.025  -7.542
  178    HB   ILE  24           HB       ILE  24   3.053  -8.486  -9.278
  179   1HG1  ILE  24          2HG1      ILE  24   2.175  -8.869  -6.999
  180   2HG1  ILE  24          1HG1      ILE  24   3.768  -9.582  -7.225
  181   1HG2  ILE  24          1HG2      ILE  24   4.972  -7.056  -9.645
  182   2HG2  ILE  24          2HG2      ILE  24   5.440  -8.448  -8.669
  183   3HG2  ILE  24          3HG2      ILE  24   5.203  -6.875  -7.905
  184   1HD1  ILE  24          1HD1      ILE  24   4.780  -7.724  -6.032
  185   2HD1  ILE  24          2HD1      ILE  24   3.550  -8.519  -5.049
  186   3HD1  ILE  24          3HD1      ILE  24   3.195  -6.981  -5.833
  187    H    ALA  25           H        ALA  25   3.512  -4.261  -8.463
  188    HA   ALA  25           HA       ALA  25   3.020  -3.643 -11.205
  189   1HB   ALA  25          1HB       ALA  25   4.848  -2.271  -9.243
  190   2HB   ALA  25          2HB       ALA  25   3.127  -1.939  -9.438
  191   3HB   ALA  25          3HB       ALA  25   4.244  -1.604 -10.762
  192    H    ARG  26           H        ARG  26   4.553  -3.382 -12.859
  193    HA   ARG  26           HA       ARG  26   6.246  -5.462 -13.345
  194   1HB   ARG  26          2HB       ARG  26   5.445  -3.766 -14.993
  195   2HB   ARG  26          1HB       ARG  26   6.667  -2.659 -14.385
  196   1HG   ARG  26          2HG       ARG  26   8.376  -4.425 -14.999
  197   2HG   ARG  26          1HG       ARG  26   7.072  -5.237 -15.870
  198   1HD   ARG  26          2HD       ARG  26   8.284  -3.866 -17.420
  199   2HD   ARG  26          1HD       ARG  26   6.702  -3.137 -17.147
  200    HE   ARG  26           HE       ARG  26   8.748  -2.107 -15.412
  201   1HH1  ARG  26          1HH1      ARG  26   7.346  -1.822 -18.610
  202   2HH1  ARG  26          2HH1      ARG  26   7.817  -0.157 -18.800
  203   1HH2  ARG  26          1HH2      ARG  26   9.394   0.049 -15.665
  204   2HH2  ARG  26          2HH2      ARG  26   9.001   0.908 -17.124
  205    H    GLN  27           H        GLN  27   7.034  -2.497 -11.642
  206    HA   GLN  27           HA       GLN  27   9.867  -2.815 -11.769
  207   1HB   GLN  27          2HB       GLN  27   8.273  -1.163  -9.813
  208   2HB   GLN  27          1HB       GLN  27   9.962  -0.945 -10.246
  209   1HG   GLN  27          2HG       GLN  27   9.309  -0.327 -12.508
  210   2HG   GLN  27          1HG       GLN  27   7.616  -0.576 -12.092
  211   1HE2  GLN  27          1HE2      GLN  27   7.993   0.563  -9.390
  212   2HE2  GLN  27          2HE2      GLN  27   8.095   2.275  -9.634
  213    H    GLY  28           H        GLY  28   7.481  -4.337  -9.892
  214   1HA   GLY  28          2HA       GLY  28   8.045  -6.101  -8.367
  215   2HA   GLY  28          1HA       GLY  28   9.523  -5.236  -7.965
  216    H    ASP  29           H        ASP  29   7.015  -3.086  -8.207
  217    HA   ASP  29           HA       ASP  29   6.839  -2.718  -5.356
  218   1HB   ASP  29          2HB       ASP  29   5.429  -1.308  -7.639
  219   2HB   ASP  29          1HB       ASP  29   5.340  -0.821  -5.950
  220    H    GLY  30           H        GLY  30   5.394  -3.673  -4.084
  221   1HA   GLY  30          2HA       GLY  30   3.326  -5.330  -5.149
  222   2HA   GLY  30          1HA       GLY  30   3.600  -4.971  -3.449
  223    H    ILE  31           H        ILE  31   1.282  -4.849  -5.597
  224    HA   ILE  31           HA       ILE  31   0.440  -2.090  -5.147
  225    HB   ILE  31           HB       ILE  31  -0.703  -4.225  -6.951
  226   1HG1  ILE  31          2HG1      ILE  31   0.826  -1.685  -7.566
  227   2HG1  ILE  31          1HG1      ILE  31   1.471  -3.319  -7.670
  228   1HG2  ILE  31          1HG2      ILE  31  -2.103  -2.402  -7.878
  229   2HG2  ILE  31          2HG2      ILE  31  -1.544  -1.356  -6.572
  230   3HG2  ILE  31          3HG2      ILE  31  -2.492  -2.795  -6.203
  231   1HD1  ILE  31          1HD1      ILE  31  -0.137  -3.829  -9.439
  232   2HD1  ILE  31          2HD1      ILE  31   0.903  -2.470  -9.862
  233   3HD1  ILE  31          3HD1      ILE  31  -0.757  -2.180  -9.340
  234    H    ALA  32           H        ALA  32  -0.457  -1.875  -3.206
  235    HA   ALA  32           HA       ALA  32  -2.620  -3.692  -2.437
  236   1HB   ALA  32          1HB       ALA  32  -2.645  -2.494  -0.314
  237   2HB   ALA  32          2HB       ALA  32  -1.452  -1.347  -0.927
  238   3HB   ALA  32          3HB       ALA  32  -1.010  -3.038  -0.688
  239    H    ARG  33           H        ARG  33  -4.281  -3.206  -3.793
  240    HA   ARG  33           HA       ARG  33  -4.880  -0.404  -4.316
  241   1HB   ARG  33          2HB       ARG  33  -6.400  -1.296  -6.068
  242   2HB   ARG  33          1HB       ARG  33  -4.723  -1.764  -6.278
  243   1HG   ARG  33          2HG       ARG  33  -5.405  -3.934  -5.065
  244   2HG   ARG  33          1HG       ARG  33  -7.055  -3.444  -5.447
  245   1HD   ARG  33          2HD       ARG  33  -4.803  -3.944  -7.386
  246   2HD   ARG  33          1HD       ARG  33  -6.256  -4.916  -7.170
  247    HE   ARG  33           HE       ARG  33  -7.484  -2.842  -7.947
  248   1HH1  ARG  33          1HH1      ARG  33  -4.199  -3.575  -8.922
  249   2HH1  ARG  33          2HH1      ARG  33  -4.315  -2.747 -10.439
  250   1HH2  ARG  33          1HH2      ARG  33  -7.666  -1.780  -9.964
  251   2HH2  ARG  33          2HH2      ARG  33  -6.293  -1.718 -11.036
  252    H    ILE  34           H        ILE  34  -5.946   0.407  -2.641
  253    HA   ILE  34           HA       ILE  34  -8.164  -1.093  -1.484
  254    HB   ILE  34           HB       ILE  34  -6.838   1.480  -0.623
  255   1HG1  ILE  34          2HG1      ILE  34  -6.893  -1.317   0.526
  256   2HG1  ILE  34          1HG1      ILE  34  -5.510  -0.507  -0.200
  257   1HG2  ILE  34          1HG2      ILE  34  -8.257   1.375   1.374
  258   2HG2  ILE  34          2HG2      ILE  34  -9.125   0.004   0.680
  259   3HG2  ILE  34          3HG2      ILE  34  -9.214   1.587  -0.094
  260   1HD1  ILE  34          1HD1      ILE  34  -5.503   1.113   1.610
  261   2HD1  ILE  34          2HD1      ILE  34  -5.362  -0.535   2.222
  262   3HD1  ILE  34          3HD1      ILE  34  -6.903   0.318   2.328
  263    H    GLU  35           H        GLU  35 -10.014  -0.920  -2.393
  264    HA   GLU  35           HA       GLU  35 -11.841  -0.173  -3.517
  265   1HB   GLU  35          2HB       GLU  35 -11.012   2.376  -2.134
  266   2HB   GLU  35          1HB       GLU  35 -12.525   2.199  -3.014
  267   1HG   GLU  35          2HG       GLU  35 -13.179   0.379  -1.514
  268   2HG   GLU  35          1HG       GLU  35 -11.669   0.580  -0.626
  269    H    GLY  36           H        GLY  36  -9.205  -0.031  -4.859
  270   1HA   GLY  36          2HA       GLY  36  -9.032   0.342  -7.224
  271   2HA   GLY  36          1HA       GLY  36 -10.036   1.772  -7.028
  272    H    PHE  37           H        PHE  37  -8.353   2.371  -4.542
  273    HA   PHE  37           HA       PHE  37  -6.529   4.126  -5.896
  274   1HB   PHE  37          2HB       PHE  37  -7.790   4.683  -3.788
  275   2HB   PHE  37          1HB       PHE  37  -6.734   3.569  -2.930
  276    HD1  PHE  37           HD1      PHE  37  -6.615   6.581  -5.109
  277    HD2  PHE  37           HD2      PHE  37  -4.794   4.359  -1.975
  278    HE1  PHE  37           HE1      PHE  37  -5.015   8.416  -4.743
  279    HE2  PHE  37           HE2      PHE  37  -3.190   6.184  -1.607
  280    HZ   PHE  37           HZ       PHE  37  -3.297   8.216  -2.988
  281    H    VAL  38           H        VAL  38  -4.470   3.731  -6.397
  282    HA   VAL  38           HA       VAL  38  -3.404   1.115  -5.718
  283    HB   VAL  38           HB       VAL  38  -2.377   3.184  -7.669
  284   1HG1  VAL  38          1HG1      VAL  38  -0.590   1.713  -6.868
  285   2HG1  VAL  38          2HG1      VAL  38  -0.976   1.387  -8.558
  286   3HG1  VAL  38          3HG1      VAL  38  -1.559   0.303  -7.297
  287   1HG2  VAL  38          1HG2      VAL  38  -4.560   2.273  -8.297
  288   2HG2  VAL  38          2HG2      VAL  38  -3.916   0.635  -8.153
  289   3HG2  VAL  38          3HG2      VAL  38  -3.289   1.723  -9.391
  290    H    ILE  39           H        ILE  39  -2.177   0.897  -3.998
  291    HA   ILE  39           HA       ILE  39  -0.292   3.041  -3.284
  292    HB   ILE  39           HB       ILE  39  -1.196   0.703  -1.590
  293   1HG1  ILE  39          2HG1      ILE  39  -2.040   3.597  -1.363
  294   2HG1  ILE  39          1HG1      ILE  39  -3.012   2.355  -2.142
  295   1HG2  ILE  39          1HG2      ILE  39  -0.194   1.986   0.262
  296   2HG2  ILE  39          2HG2      ILE  39   0.378   3.180  -0.903
  297   3HG2  ILE  39          3HG2      ILE  39   0.991   1.528  -0.961
  298   1HD1  ILE  39          1HD1      ILE  39  -2.160   2.376   0.741
  299   2HD1  ILE  39          2HD1      ILE  39  -3.137   1.131  -0.038
  300   3HD1  ILE  39          3HD1      ILE  39  -3.762   2.772   0.124
  301    H    PHE  40           H        PHE  40   1.811   2.693  -3.654
  302    HA   PHE  40           HA       PHE  40   2.631   0.054  -4.601
  303   1HB   PHE  40          2HB       PHE  40   3.999   2.746  -4.717
  304   2HB   PHE  40          1HB       PHE  40   4.720   1.253  -5.304
  305    HD1  PHE  40           HD1      PHE  40   3.631   0.042  -7.199
  306    HD2  PHE  40           HD2      PHE  40   2.471   3.962  -6.023
  307    HE1  PHE  40           HE1      PHE  40   2.561   0.379  -9.390
  308    HE2  PHE  40           HE2      PHE  40   1.396   4.306  -8.206
  309    HZ   PHE  40           HZ       PHE  40   1.440   2.514  -9.894
  310    H    VAL  41           H        VAL  41   3.577  -1.318  -3.290
  311    HA   VAL  41           HA       VAL  41   5.415  -0.294  -1.222
  312    HB   VAL  41           HB       VAL  41   3.757  -2.789  -0.867
  313   1HG1  VAL  41          1HG1      VAL  41   4.394  -2.531   1.478
  314   2HG1  VAL  41          2HG1      VAL  41   5.315  -1.084   1.067
  315   3HG1  VAL  41          3HG1      VAL  41   5.808  -2.653   0.433
  316   1HG2  VAL  41          1HG2      VAL  41   3.163  -0.027   0.185
  317   2HG2  VAL  41          2HG2      VAL  41   2.321  -1.505   0.648
  318   3HG2  VAL  41          3HG2      VAL  41   2.217  -0.913  -1.010
  319    HA   PRO  42           HA       PRO  42   7.713  -2.950  -4.177
  320   1HB   PRO  42          2HB       PRO  42  10.160  -1.902  -3.531
  321   2HB   PRO  42          1HB       PRO  42   9.064  -1.192  -4.722
  322   1HG   PRO  42          2HG       PRO  42   9.496  -0.437  -1.857
  323   2HG   PRO  42          1HG       PRO  42   9.302   0.611  -3.275
  324   1HD   PRO  42          2HD       PRO  42   7.281   0.164  -1.559
  325   2HD   PRO  42          1HD       PRO  42   7.002   0.361  -3.302
  326    H    GLY  43           H        GLY  43   8.565  -4.916  -3.817
  327   1HA   GLY  43          2HA       GLY  43  10.300  -6.228  -2.727
  328   2HA   GLY  43          1HA       GLY  43   9.924  -5.381  -1.236
  329    H    THR  44           H        THR  44   6.981  -5.839  -2.366
  330    HA   THR  44           HA       THR  44   6.655  -8.299  -0.826
  331    HB   THR  44           HB       THR  44   4.215  -7.702  -0.915
  332    HG1  THR  44           HG1      THR  44   4.773  -5.080  -1.586
  333   1HG2  THR  44          1HG2      THR  44   4.396  -5.864   0.700
  334   2HG2  THR  44          2HG2      THR  44   6.074  -5.609   0.219
  335   3HG2  THR  44          3HG2      THR  44   5.603  -7.112   1.011
  336    H    LYS  45           H        LYS  45   4.516  -9.539  -1.726
  337    HA   LYS  45           HA       LYS  45   4.719  -9.854  -4.620
  338   1HB   LYS  45          2HB       LYS  45   6.362 -11.412  -3.509
  339   2HB   LYS  45          1HB       LYS  45   4.996 -12.215  -2.755
  340   1HG   LYS  45          2HG       LYS  45   4.179 -12.997  -4.826
  341   2HG   LYS  45          1HG       LYS  45   5.259 -11.933  -5.732
  342   1HD   LYS  45          2HD       LYS  45   6.166 -14.190  -3.947
  343   2HD   LYS  45          1HD       LYS  45   6.013 -14.291  -5.703
  344   1HE   LYS  45          2HE       LYS  45   7.679 -12.566  -5.991
  345   2HE   LYS  45          1HE       LYS  45   7.766 -12.314  -4.249
  346   1HZ   LYS  45          1HZ       LYS  45   8.496 -14.847  -5.626
  347   2HZ   LYS  45          2HZ       LYS  45   8.683 -14.501  -3.974
  348   3HZ   LYS  45          3HZ       LYS  45   9.603 -13.661  -5.127
  349    H    VAL  46           H        VAL  46   2.969 -11.391  -5.425
  350    HA   VAL  46           HA       VAL  46   0.464 -10.493  -4.564
  351    HB   VAL  46           HB       VAL  46   1.013 -13.038  -6.108
  352   1HG1  VAL  46          1HG1      VAL  46  -1.440 -11.292  -5.934
  353   2HG1  VAL  46          2HG1      VAL  46  -1.266 -12.930  -5.304
  354   3HG1  VAL  46          3HG1      VAL  46  -1.236 -12.647  -7.046
  355   1HG2  VAL  46          1HG2      VAL  46   0.721 -11.684  -8.124
  356   2HG2  VAL  46          2HG2      VAL  46   2.103 -11.141  -7.175
  357   3HG2  VAL  46          3HG2      VAL  46   0.591 -10.235  -7.129
  358    H    GLY  47           H        GLY  47  -0.626 -10.962  -2.778
  359   1HA   GLY  47          2HA       GLY  47  -1.837 -12.517  -1.448
  360   2HA   GLY  47          1HA       GLY  47  -0.648 -13.744  -1.850
  361    H    ASP  48           H        ASP  48   1.208 -11.180  -1.194
  362    HA   ASP  48           HA       ASP  48   1.910 -12.175   1.406
  363   1HB   ASP  48          2HB       ASP  48   3.590 -11.311  -0.214
  364   2HB   ASP  48          1HB       ASP  48   2.910  -9.699  -0.025
  365    H    GLU  49           H        GLU  49   0.781 -11.710   3.143
  366    HA   GLU  49           HA       GLU  49  -0.663  -9.167   3.275
  367   1HB   GLU  49          2HB       GLU  49  -1.862 -10.279   5.198
  368   2HB   GLU  49          1HB       GLU  49  -2.118 -11.003   3.618
  369   1HG   GLU  49          2HG       GLU  49  -0.336 -12.673   4.216
  370   2HG   GLU  49          1HG       GLU  49  -0.389 -12.021   5.852
  371    H    VAL  50           H        VAL  50   0.427  -7.595   4.194
  372    HA   VAL  50           HA       VAL  50   1.800  -8.066   6.729
  373    HB   VAL  50           HB       VAL  50   3.736  -6.665   5.961
  374   1HG1  VAL  50          1HG1      VAL  50   3.352  -9.275   4.504
  375   2HG1  VAL  50          2HG1      VAL  50   3.950  -9.082   6.152
  376   3HG1  VAL  50          3HG1      VAL  50   4.894  -8.471   4.793
  377   1HG2  VAL  50          1HG2      VAL  50   2.718  -5.613   4.029
  378   2HG2  VAL  50          2HG2      VAL  50   2.557  -7.178   3.232
  379   3HG2  VAL  50          3HG2      VAL  50   4.158  -6.508   3.541
  380    H    ARG  51           H        ARG  51   2.304  -6.067   7.870
  381    HA   ARG  51           HA       ARG  51   0.300  -4.027   7.433
  382   1HB   ARG  51          2HB       ARG  51   2.471  -4.352   9.510
  383   2HB   ARG  51          1HB       ARG  51   1.377  -2.977   9.463
  384   1HG   ARG  51          2HG       ARG  51  -0.521  -4.421   9.822
  385   2HG   ARG  51          1HG       ARG  51   0.516  -5.846   9.749
  386   1HD   ARG  51          2HD       ARG  51   0.810  -3.641  11.783
  387   2HD   ARG  51          1HD       ARG  51  -0.106  -5.122  12.060
  388    HE   ARG  51           HE       ARG  51   2.622  -5.565  11.219
  389   1HH1  ARG  51          1HH1      ARG  51   0.526  -4.993  13.971
  390   2HH1  ARG  51          2HH1      ARG  51   1.566  -5.814  15.093
  391   1HH2  ARG  51          1HH2      ARG  51   3.999  -6.596  12.669
  392   2HH2  ARG  51          2HH2      ARG  51   3.563  -6.725  14.356
  393    H    ILE  52           H        ILE  52   0.594  -2.282   6.242
  394    HA   ILE  52           HA       ILE  52   3.362  -1.396   5.745
  395    HB   ILE  52           HB       ILE  52   2.612  -0.453   3.608
  396   1HG1  ILE  52          2HG1      ILE  52  -0.019  -1.857   4.137
  397   2HG1  ILE  52          1HG1      ILE  52   0.222  -0.122   4.293
  398   1HG2  ILE  52          1HG2      ILE  52   1.944  -3.378   3.909
  399   2HG2  ILE  52          2HG2      ILE  52   3.550  -2.698   3.646
  400   3HG2  ILE  52          3HG2      ILE  52   2.317  -2.556   2.393
  401   1HD1  ILE  52          1HD1      ILE  52   0.759   0.016   1.915
  402   2HD1  ILE  52          2HD1      ILE  52  -0.840  -0.677   2.188
  403   3HD1  ILE  52          3HD1      ILE  52   0.512  -1.725   1.764
  404    H    LYS  53           H        LYS  53   3.855   0.687   6.188
  405    HA   LYS  53           HA       LYS  53   1.658   2.379   7.138
  406   1HB   LYS  53          2HB       LYS  53   3.498   2.174   8.723
  407   2HB   LYS  53          1HB       LYS  53   4.649   2.690   7.496
  408   1HG   LYS  53          2HG       LYS  53   3.738   4.892   7.451
  409   2HG   LYS  53          1HG       LYS  53   2.373   4.409   8.456
  410   1HD   LYS  53          2HD       LYS  53   3.825   4.066  10.345
  411   2HD   LYS  53          1HD       LYS  53   5.251   4.373   9.354
  412   1HE   LYS  53          2HE       LYS  53   3.063   6.393   9.783
  413   2HE   LYS  53          1HE       LYS  53   4.489   6.283  10.812
  414   1HZ   LYS  53          1HZ       LYS  53   5.856   7.022   9.158
  415   2HZ   LYS  53          2HZ       LYS  53   4.457   7.893   8.783
  416   3HZ   LYS  53          3HZ       LYS  53   4.851   6.497   7.900
  417    H    VAL  54           H        VAL  54   0.811   3.657   5.698
  418    HA   VAL  54           HA       VAL  54   2.093   4.378   3.257
  419    HB   VAL  54           HB       VAL  54  -0.363   5.580   4.564
  420   1HG1  VAL  54          1HG1      VAL  54   0.650   5.813   1.730
  421   2HG1  VAL  54          2HG1      VAL  54   0.611   7.105   2.930
  422   3HG1  VAL  54          3HG1      VAL  54  -0.897   6.424   2.317
  423   1HG2  VAL  54          1HG2      VAL  54  -1.604   4.182   2.954
  424   2HG2  VAL  54          2HG2      VAL  54  -0.668   3.221   4.098
  425   3HG2  VAL  54          3HG2      VAL  54  -0.081   3.450   2.450
  426    H    GLU  55           H        GLU  55   3.527   5.903   2.952
  427    HA   GLU  55           HA       GLU  55   4.212   7.664   5.177
  428   1HB   GLU  55          2HB       GLU  55   5.691   7.057   2.607
  429   2HB   GLU  55          1HB       GLU  55   6.316   8.009   3.943
  430   1HG   GLU  55          2HG       GLU  55   5.529   5.118   4.158
  431   2HG   GLU  55          1HG       GLU  55   7.169   5.681   3.838
  432    H    ARG  56           H        ARG  56   3.424   7.788   1.734
  433    HA   ARG  56           HA       ARG  56   2.923  10.670   1.946
  434   1HB   ARG  56          2HB       ARG  56   5.277  10.286   1.167
  435   2HB   ARG  56          1HB       ARG  56   4.633   9.415  -0.214
  436   1HG   ARG  56          2HG       ARG  56   4.899  11.424  -1.196
  437   2HG   ARG  56          1HG       ARG  56   3.299  11.710  -0.507
  438   1HD   ARG  56          2HD       ARG  56   5.884  12.416   0.864
  439   2HD   ARG  56          1HD       ARG  56   4.959  13.544  -0.124
  440    HE   ARG  56           HE       ARG  56   3.101  12.852   1.627
  441   1HH1  ARG  56          1HH1      ARG  56   6.504  13.445   2.228
  442   2HH1  ARG  56          2HH1      ARG  56   6.236  14.179   3.782
  443   1HH2  ARG  56          1HH2      ARG  56   2.737  13.807   3.658
  444   2HH2  ARG  56          2HH2      ARG  56   4.085  14.386   4.597
  445    H    VAL  57           H        VAL  57   1.197  11.327   0.721
  446    HA   VAL  57           HA       VAL  57   0.125   9.343  -1.177
  447    HB   VAL  57           HB       VAL  57  -2.104  10.302  -0.845
  448   1HG1  VAL  57          1HG1      VAL  57  -1.421   8.389   0.505
  449   2HG1  VAL  57          2HG1      VAL  57  -2.523   9.435   1.399
  450   3HG1  VAL  57          3HG1      VAL  57  -0.794   9.476   1.743
  451   1HG2  VAL  57          1HG2      VAL  57  -1.481  12.576  -0.242
  452   2HG2  VAL  57          2HG2      VAL  57  -0.800  12.002   1.279
  453   3HG2  VAL  57          3HG2      VAL  57  -2.535  11.877   0.986
  454    H    LEU  58           H        LEU  58  -0.267   9.923  -3.219
  455    HA   LEU  58           HA       LEU  58   0.090  12.753  -3.949
  456   1HB   LEU  58          2HB       LEU  58   0.968  10.310  -5.505
  457   2HB   LEU  58          1HB       LEU  58   1.017  11.950  -6.117
  458    HG   LEU  58           HG       LEU  58   2.563  12.401  -4.064
  459   1HD1  LEU  58          1HD1      LEU  58   2.203  10.243  -2.975
  460   2HD1  LEU  58          2HD1      LEU  58   3.899  10.493  -3.387
  461   3HD1  LEU  58          3HD1      LEU  58   2.902   9.424  -4.373
  462   1HD2  LEU  58          1HD2      LEU  58   4.514  11.765  -5.399
  463   2HD2  LEU  58          2HD2      LEU  58   3.275  12.557  -6.370
  464   3HD2  LEU  58          3HD2      LEU  58   3.472  10.807  -6.452
  465    HA   PRO  59           HA       PRO  59  -3.874  12.697  -5.808
  466   1HB   PRO  59          2HB       PRO  59  -2.693  13.758  -8.314
  467   2HB   PRO  59          1HB       PRO  59  -3.968  14.433  -7.295
  468   1HG   PRO  59          2HG       PRO  59  -1.521  15.488  -7.301
  469   2HG   PRO  59          1HG       PRO  59  -2.462  15.367  -5.801
  470   1HD   PRO  59          2HD       PRO  59  -0.188  13.677  -6.760
  471   2HD   PRO  59          1HD       PRO  59  -0.558  14.247  -5.117
  472    H    LYS  60           H        LYS  60  -1.295  11.028  -7.382
  473    HA   LYS  60           HA       LYS  60  -3.209   9.698  -9.176
  474   1HB   LYS  60          2HB       LYS  60  -1.306  10.908 -10.236
  475   2HB   LYS  60          1HB       LYS  60  -0.202   9.807  -9.428
  476   1HG   LYS  60          2HG       LYS  60  -1.138   7.933 -10.649
  477   2HG   LYS  60          1HG       LYS  60  -2.313   9.001 -11.418
  478   1HD   LYS  60          2HD       LYS  60   0.687   9.189 -11.706
  479   2HD   LYS  60          1HD       LYS  60  -0.418   8.507 -12.899
  480   1HE   LYS  60          2HE       LYS  60  -0.424  11.363 -11.917
  481   2HE   LYS  60          1HE       LYS  60   0.233  10.809 -13.458
  482   1HZ   LYS  60          1HZ       LYS  60  -1.992  10.075 -14.094
  483   2HZ   LYS  60          2HZ       LYS  60  -1.974  11.728 -13.735
  484   3HZ   LYS  60          3HZ       LYS  60  -2.616  10.633 -12.615
  485    H    PHE  61           H        PHE  61  -1.132   9.190  -6.470
  486    HA   PHE  61           HA       PHE  61  -1.876   6.494  -6.123
  487   1HB   PHE  61          2HB       PHE  61   0.264   5.367  -6.560
  488   2HB   PHE  61          1HB       PHE  61  -0.394   6.077  -8.030
  489    HD1  PHE  61           HD1      PHE  61   2.284   6.249  -5.539
  490    HD2  PHE  61           HD2      PHE  61   0.702   7.941  -9.112
  491    HE1  PHE  61           HE1      PHE  61   4.414   7.418  -5.926
  492    HE2  PHE  61           HE2      PHE  61   2.829   9.115  -9.501
  493    HZ   PHE  61           HZ       PHE  61   4.689   8.852  -7.907
  494    H    ALA  62           H        ALA  62  -0.425   5.405  -4.403
  495    HA   ALA  62           HA       ALA  62   0.730   7.461  -2.634
  496   1HB   ALA  62          1HB       ALA  62  -0.197   6.299  -0.698
  497   2HB   ALA  62          2HB       ALA  62  -0.987   5.138  -1.765
  498   3HB   ALA  62          3HB       ALA  62  -1.474   6.833  -1.790
  499    H    PHE  63           H        PHE  63   2.313   6.667  -1.115
  500    HA   PHE  63           HA       PHE  63   3.598   4.153  -1.965
  501   1HB   PHE  63          2HB       PHE  63   4.825   6.180  -2.767
  502   2HB   PHE  63          1HB       PHE  63   5.008   6.688  -1.092
  503    HD1  PHE  63           HD1      PHE  63   6.669   5.732   0.312
  504    HD2  PHE  63           HD2      PHE  63   5.978   4.168  -3.581
  505    HE1  PHE  63           HE1      PHE  63   8.749   4.430   0.474
  506    HE2  PHE  63           HE2      PHE  63   8.058   2.863  -3.431
  507    HZ   PHE  63           HZ       PHE  63   9.446   2.992  -1.400
  508    H    ALA  64           H        ALA  64   4.269   2.809  -0.340
  509    HA   ALA  64           HA       ALA  64   4.029   3.780   2.420
  510   1HB   ALA  64          1HB       ALA  64   1.879   2.757   1.811
  511   2HB   ALA  64          2HB       ALA  64   2.711   1.842   3.069
  512   3HB   ALA  64          3HB       ALA  64   2.716   1.258   1.404
  513    H    SER  65           H        SER  65   4.937   2.247   4.004
  514    HA   SER  65           HA       SER  65   7.191   0.746   2.840
  515   1HB   SER  65          2HB       SER  65   8.368   1.274   5.020
  516   2HB   SER  65          1HB       SER  65   8.080   2.659   3.967
  517    HG   SER  65           HG       SER  65   6.272   3.184   5.265
  518    H    VAL  66           H        VAL  66   7.713  -1.253   3.722
  519    HA   VAL  66           HA       VAL  66   5.548  -2.650   5.004
  520    HB   VAL  66           HB       VAL  66   8.340  -3.669   4.425
  521   1HG1  VAL  66          1HG1      VAL  66   7.311  -5.881   4.511
  522   2HG1  VAL  66          2HG1      VAL  66   5.753  -5.149   4.894
  523   3HG1  VAL  66          3HG1      VAL  66   7.092  -5.020   6.034
  524   1HG2  VAL  66          1HG2      VAL  66   7.289  -2.865   2.378
  525   2HG2  VAL  66          2HG2      VAL  66   5.870  -3.856   2.710
  526   3HG2  VAL  66          3HG2      VAL  66   7.420  -4.623   2.378
  527    H    VAL  67           H        VAL  67   5.288  -2.920   7.147
  528    HA   VAL  67           HA       VAL  67   7.680  -2.661   8.843
  529    HB   VAL  67           HB       VAL  67   6.295  -1.738  10.643
  530   1HG1  VAL  67          1HG1      VAL  67   7.435  -0.181   9.179
  531   2HG1  VAL  67          2HG1      VAL  67   5.876   0.480   9.671
  532   3HG1  VAL  67          3HG1      VAL  67   6.074  -0.204   8.058
  533   1HG2  VAL  67          1HG2      VAL  67   4.152  -2.710  10.105
  534   2HG2  VAL  67          2HG2      VAL  67   4.076  -1.795   8.601
  535   3HG2  VAL  67          3HG2      VAL  67   3.998  -0.954  10.149
  536    H    GLU  68           H        GLU  68   5.996  -4.863   7.580
  537    HA   GLU  68           HA       GLU  68   5.399  -7.005   8.004
  538   1HB   GLU  68          2HB       GLU  68   7.660  -6.980   9.102
  539   2HB   GLU  68          1HB       GLU  68   6.858  -6.665  10.630
  540   1HG   GLU  68          2HG       GLU  68   6.183  -9.078   8.986
  541   2HG   GLU  68          1HG       GLU  68   7.558  -9.064  10.085
  Start of MODEL   10
    1   1H    MET   1          1HT       MET   1 -29.467  21.283   3.375
    2   2H    MET   1          2HT       MET   1 -29.128  19.664   2.999
    3   3H    MET   1          3HT       MET   1 -28.985  20.861   1.805
    4    HA   MET   1           HA       MET   1 -27.187  21.898   3.006
    5   1HB   MET   1          2HB       MET   1 -27.521  19.536   4.865
    6   2HB   MET   1          1HB       MET   1 -26.127  20.603   4.865
    7   1HG   MET   1          2HG       MET   1 -27.481  21.330   6.624
    8   2HG   MET   1          1HG       MET   1 -27.734  22.492   5.326
    9   1HE   MET   1          1HE       MET   1 -31.222  22.362   7.095
   10   2HE   MET   1          2HE       MET   1 -29.848  23.368   6.639
   11   3HE   MET   1          3HE       MET   1 -29.667  22.146   7.900
   12    H    PHE   2           H        PHE   2 -27.490  18.346   2.933
   13    HA   PHE   2           HA       PHE   2 -26.291  16.716   1.924
   14   1HB   PHE   2          2HB       PHE   2 -25.660  18.932  -0.030
   15   2HB   PHE   2          1HB       PHE   2 -25.182  17.254  -0.268
   16    HD1  PHE   2           HD1      PHE   2 -27.691  19.662  -0.843
   17    HD2  PHE   2           HD2      PHE   2 -27.093  15.504  -0.148
   18    HE1  PHE   2           HE1      PHE   2 -29.880  19.182  -1.854
   19    HE2  PHE   2           HE2      PHE   2 -29.283  15.019  -1.157
   20    HZ   PHE   2           HZ       PHE   2 -30.677  16.856  -2.010
   21    H    ARG   3           H        ARG   3 -23.836  16.584   0.722
   22    HA   ARG   3           HA       ARG   3 -21.894  17.974   2.347
   23   1HB   ARG   3          2HB       ARG   3 -22.593  16.195   3.871
   24   2HB   ARG   3          1HB       ARG   3 -22.273  14.987   2.634
   25   1HG   ARG   3          2HG       ARG   3 -19.895  15.612   2.667
   26   2HG   ARG   3          1HG       ARG   3 -20.237  16.766   3.957
   27   1HD   ARG   3          2HD       ARG   3 -21.064  14.912   5.353
   28   2HD   ARG   3          1HD       ARG   3 -20.629  13.778   4.073
   29    HE   ARG   3           HE       ARG   3 -18.316  15.081   4.534
   30   1HH1  ARG   3          1HH1      ARG   3 -20.585  13.413   6.606
   31   2HH1  ARG   3          2HH1      ARG   3 -19.384  12.989   7.786
   32   1HH2  ARG   3          1HH2      ARG   3 -16.730  14.514   6.085
   33   2HH2  ARG   3          2HH2      ARG   3 -17.212  13.618   7.499
   34    H    GLU   4           H        GLU   4 -22.660  15.544  -0.045
   35    HA   GLU   4           HA       GLU   4 -21.637  14.840  -1.935
   36   1HB   GLU   4          2HB       GLU   4 -20.847  17.278  -2.112
   37   2HB   GLU   4          1HB       GLU   4 -19.331  16.713  -1.426
   38   1HG   GLU   4          2HG       GLU   4 -19.146  16.823  -3.818
   39   2HG   GLU   4          1HG       GLU   4 -19.099  15.138  -3.300
   40    H    GLU   5           H        GLU   5 -21.247  12.823  -1.311
   41    HA   GLU   5           HA       GLU   5 -19.297  12.164   0.676
   42   1HB   GLU   5          2HB       GLU   5 -21.498  10.872  -0.616
   43   2HB   GLU   5          1HB       GLU   5 -20.083   9.833  -0.722
   44   1HG   GLU   5          2HG       GLU   5 -21.372  10.937   1.752
   45   2HG   GLU   5          1HG       GLU   5 -21.252   9.252   1.250
   46    H    SER   6           H        SER   6 -18.337   9.742  -0.332
   47    HA   SER   6           HA       SER   6 -16.543   8.858  -1.371
   48   1HB   SER   6          2HB       SER   6 -16.751  11.179  -3.307
   49   2HB   SER   6          1HB       SER   6 -15.705   9.772  -3.501
   50    HG   SER   6           HG       SER   6 -17.869   8.594  -3.222
   51    H    ARG   7           H        ARG   7 -15.661   9.411   0.650
   52    HA   ARG   7           HA       ARG   7 -14.343  11.718   1.385
   53   1HB   ARG   7          2HB       ARG   7 -13.468   8.900   2.035
   54   2HB   ARG   7          1HB       ARG   7 -13.094  10.350   2.959
   55   1HG   ARG   7          2HG       ARG   7 -15.855   9.228   2.532
   56   2HG   ARG   7          1HG       ARG   7 -14.874   9.012   3.983
   57   1HD   ARG   7          2HD       ARG   7 -14.958  11.325   4.491
   58   2HD   ARG   7          1HD       ARG   7 -15.632  11.717   2.909
   59    HE   ARG   7           HE       ARG   7 -17.718  10.823   3.593
   60   1HH1  ARG   7          1HH1      ARG   7 -15.328  10.903   6.160
   61   2HH1  ARG   7          2HH1      ARG   7 -16.497  10.729   7.429
   62   1HH2  ARG   7          1HH2      ARG   7 -19.249  10.622   5.240
   63   2HH2  ARG   7          2HH2      ARG   7 -18.747  10.578   6.904
   64    H    SER   8           H        SER   8 -12.369  12.608   1.062
   65    HA   SER   8           HA       SER   8 -10.942  11.954  -1.291
   66   1HB   SER   8          2HB       SER   8 -10.082  13.747   0.989
   67   2HB   SER   8          1HB       SER   8  -9.472  13.779  -0.668
   68    HG   SER   8           HG       SER   8 -11.564  14.384  -1.359
   69    H    VAL   9           H        VAL   9 -10.198   9.938  -1.240
   70    HA   VAL   9           HA       VAL   9  -8.525   8.439  -1.151
   71    HB   VAL   9           HB       VAL   9  -6.970  10.313   0.627
   72   1HG1  VAL   9          1HG1      VAL   9  -6.152   8.200  -1.349
   73   2HG1  VAL   9          2HG1      VAL   9  -6.109   8.053   0.407
   74   3HG1  VAL   9          3HG1      VAL   9  -5.053   9.209  -0.405
   75   1HG2  VAL   9          1HG2      VAL   9  -7.747  11.543  -1.363
   76   2HG2  VAL   9          2HG2      VAL   9  -7.056  10.289  -2.395
   77   3HG2  VAL   9          3HG2      VAL   9  -6.001  11.282  -1.390
   78    HA   PRO  10           HA       PRO  10  -9.985   6.471   2.576
   79   1HB   PRO  10          2HB       PRO  10  -9.258   3.955   1.879
   80   2HB   PRO  10          1HB       PRO  10 -10.678   4.765   1.208
   81   1HG   PRO  10          2HG       PRO  10  -7.949   4.438   0.019
   82   2HG   PRO  10          1HG       PRO  10  -9.533   4.252  -0.754
   83   1HD   PRO  10          2HD       PRO  10  -8.028   6.485  -1.027
   84   2HD   PRO  10          1HD       PRO  10  -9.801   6.524  -1.032
   85    H    VAL  11           H        VAL  11  -6.776   6.845   1.572
   86    HA   VAL  11           HA       VAL  11  -5.828   5.917   4.188
   87    HB   VAL  11           HB       VAL  11  -3.688   5.167   3.112
   88   1HG1  VAL  11          1HG1      VAL  11  -4.576   3.004   2.334
   89   2HG1  VAL  11          2HG1      VAL  11  -6.200   3.695   2.333
   90   3HG1  VAL  11          3HG1      VAL  11  -5.309   3.538   3.849
   91   1HG2  VAL  11          1HG2      VAL  11  -3.748   4.584   0.717
   92   2HG2  VAL  11          2HG2      VAL  11  -3.861   6.321   0.989
   93   3HG2  VAL  11          3HG2      VAL  11  -5.305   5.399   0.575
   94    H    GLU  12           H        GLU  12  -4.601   7.385   5.229
   95    HA   GLU  12           HA       GLU  12  -3.683   9.687   3.639
   96   1HB   GLU  12          2HB       GLU  12  -4.533   9.551   6.528
   97   2HB   GLU  12          1HB       GLU  12  -3.782  10.960   5.791
   98   1HG   GLU  12          2HG       GLU  12  -5.659  11.006   4.151
   99   2HG   GLU  12          1HG       GLU  12  -6.433   9.732   5.095
  100    H    GLU  13           H        GLU  13  -1.928  10.921   4.881
  101    HA   GLU  13           HA       GLU  13   0.381   9.307   4.765
  102   1HB   GLU  13          2HB       GLU  13   0.098  12.121   5.817
  103   2HB   GLU  13          1HB       GLU  13   1.587  11.347   5.284
  104   1HG   GLU  13          2HG       GLU  13   0.662  11.155   3.022
  105   2HG   GLU  13          1HG       GLU  13  -0.801  11.975   3.565
  106    H    GLY  14           H        GLY  14   1.309   8.128   6.249
  107   1HA   GLY  14          2HA       GLY  14   2.432   7.826   8.278
  108   2HA   GLY  14          1HA       GLY  14   1.423   9.053   9.014
  109    H    GLU  15           H        GLU  15  -0.208   6.652   7.144
  110    HA   GLU  15           HA       GLU  15  -1.303   5.640   9.685
  111   1HB   GLU  15          2HB       GLU  15  -2.425   5.398   6.899
  112   2HB   GLU  15          1HB       GLU  15  -3.177   4.766   8.348
  113   1HG   GLU  15          2HG       GLU  15  -3.108   7.197   9.185
  114   2HG   GLU  15          1HG       GLU  15  -2.850   7.604   7.487
  115    H    VAL  16           H        VAL  16  -1.891   3.353   9.805
  116    HA   VAL  16           HA       VAL  16   0.004   1.636   8.337
  117    HB   VAL  16           HB       VAL  16  -0.772   1.333  11.249
  118   1HG1  VAL  16          1HG1      VAL  16   0.942  -0.423  11.295
  119   2HG1  VAL  16          2HG1      VAL  16   1.178  -0.227   9.558
  120   3HG1  VAL  16          3HG1      VAL  16  -0.368  -0.809  10.177
  121   1HG2  VAL  16          1HG2      VAL  16   1.586   1.874  11.726
  122   2HG2  VAL  16          2HG2      VAL  16   0.725   3.220  10.979
  123   3HG2  VAL  16          3HG2      VAL  16   1.832   2.238  10.018
  124    H    TYR  17           H        TYR  17  -0.952   0.028   7.269
  125    HA   TYR  17           HA       TYR  17  -3.624  -0.864   8.146
  126   1HB   TYR  17          2HB       TYR  17  -2.688  -0.197   5.358
  127   2HB   TYR  17          1HB       TYR  17  -4.132  -1.153   5.673
  128    HD1  TYR  17           HD1      TYR  17  -6.158  -0.132   6.316
  129    HD2  TYR  17           HD2      TYR  17  -2.593   2.183   6.143
  130    HE1  TYR  17           HE1      TYR  17  -7.479   1.919   6.581
  131    HE2  TYR  17           HE2      TYR  17  -3.908   4.237   6.399
  132    HH   TYR  17           HH       TYR  17  -6.038   5.108   6.308
  133    H    ASP  18           H        ASP  18  -4.010  -3.007   8.127
  134    HA   ASP  18           HA       ASP  18  -1.932  -4.874   7.358
  135   1HB   ASP  18          2HB       ASP  18  -4.769  -5.277   8.343
  136   2HB   ASP  18          1HB       ASP  18  -3.730  -6.612   7.866
  137    H    VAL  19           H        VAL  19  -1.599  -4.871   5.177
  138    HA   VAL  19           HA       VAL  19  -3.992  -4.989   3.470
  139    HB   VAL  19           HB       VAL  19  -2.607  -4.093   1.650
  140   1HG1  VAL  19          1HG1      VAL  19  -2.540  -2.418   4.158
  141   2HG1  VAL  19          2HG1      VAL  19  -3.888  -2.552   3.027
  142   3HG1  VAL  19          3HG1      VAL  19  -2.371  -1.813   2.508
  143   1HG2  VAL  19          1HG2      VAL  19  -0.373  -3.154   2.181
  144   2HG2  VAL  19          2HG2      VAL  19  -0.435  -4.913   2.286
  145   3HG2  VAL  19          3HG2      VAL  19  -0.454  -3.942   3.757
  146    H    THR  20           H        THR  20  -4.121  -6.424   1.796
  147    HA   THR  20           HA       THR  20  -2.067  -8.524   1.698
  148    HB   THR  20           HB       THR  20  -4.916  -8.669   0.671
  149    HG1  THR  20           HG1      THR  20  -3.934  -8.847   3.190
  150   1HG2  THR  20          1HG2      THR  20  -2.820 -10.791   1.150
  151   2HG2  THR  20          2HG2      THR  20  -3.373 -10.211  -0.423
  152   3HG2  THR  20          3HG2      THR  20  -4.481 -11.091   0.634
  153    H    ILE  21           H        ILE  21  -0.761  -8.437   0.002
  154    HA   ILE  21           HA       ILE  21  -1.109  -6.455  -1.998
  155    HB   ILE  21           HB       ILE  21   0.863  -8.740  -1.968
  156   1HG1  ILE  21          2HG1      ILE  21   0.991  -7.445   0.106
  157   2HG1  ILE  21          1HG1      ILE  21   2.398  -7.142  -0.900
  158   1HG2  ILE  21          1HG2      ILE  21   0.911  -6.074  -3.374
  159   2HG2  ILE  21          2HG2      ILE  21   0.689  -7.650  -4.134
  160   3HG2  ILE  21          3HG2      ILE  21   2.226  -7.250  -3.364
  161   1HD1  ILE  21          1HD1      ILE  21   1.418  -5.031  -1.637
  162   2HD1  ILE  21          2HD1      ILE  21   1.604  -5.096   0.115
  163   3HD1  ILE  21          3HD1      ILE  21   0.015  -5.334  -0.612
  164    H    GLN  22           H        GLN  22  -2.324  -6.581  -3.743
  165    HA   GLN  22           HA       GLN  22  -3.458  -9.138  -4.489
  166   1HB   GLN  22          2HB       GLN  22  -4.032  -6.377  -5.572
  167   2HB   GLN  22          1HB       GLN  22  -4.967  -7.830  -5.894
  168   1HG   GLN  22          2HG       GLN  22  -4.614  -6.571  -3.184
  169   2HG   GLN  22          1HG       GLN  22  -6.009  -6.342  -4.235
  170   1HE2  GLN  22          1HE2      GLN  22  -7.441  -7.190  -2.786
  171   2HE2  GLN  22          2HE2      GLN  22  -7.501  -8.873  -2.389
  172    H    ASP  23           H        ASP  23  -1.694  -6.496  -6.082
  173    HA   ASP  23           HA       ASP  23  -0.903  -8.421  -8.165
  174   1HB   ASP  23          2HB       ASP  23  -1.745  -5.546  -8.493
  175   2HB   ASP  23          1HB       ASP  23  -0.810  -6.397  -9.717
  176    H    ILE  24           H        ILE  24   0.957  -7.200  -9.525
  177    HA   ILE  24           HA       ILE  24   2.902  -6.048  -7.681
  178    HB   ILE  24           HB       ILE  24   3.419  -8.446  -9.465
  179   1HG1  ILE  24          2HG1      ILE  24   2.425  -9.000  -7.286
  180   2HG1  ILE  24          1HG1      ILE  24   4.079  -9.590  -7.416
  181   1HG2  ILE  24          1HG2      ILE  24   5.405  -6.848  -7.858
  182   2HG2  ILE  24          2HG2      ILE  24   5.269  -6.862  -9.617
  183   3HG2  ILE  24          3HG2      ILE  24   5.749  -8.326  -8.755
  184   1HD1  ILE  24          1HD1      ILE  24   3.704  -8.683  -5.226
  185   2HD1  ILE  24          2HD1      ILE  24   3.144  -7.161  -5.913
  186   3HD1  ILE  24          3HD1      ILE  24   4.831  -7.641  -6.100
  187    H    ALA  25           H        ALA  25   4.135  -4.509  -8.670
  188    HA   ALA  25           HA       ALA  25   3.327  -3.534 -11.226
  189   1HB   ALA  25          1HB       ALA  25   4.263  -2.185  -9.349
  190   2HB   ALA  25          2HB       ALA  25   5.045  -1.903 -10.906
  191   3HB   ALA  25          3HB       ALA  25   5.837  -2.915  -9.690
  192    H    ARG  26           H        ARG  26   6.488  -4.508 -10.113
  193    HA   ARG  26           HA       ARG  26   6.843  -6.664 -11.859
  194   1HB   ARG  26          2HB       ARG  26   8.666  -5.733 -13.255
  195   2HB   ARG  26          1HB       ARG  26   7.113  -4.990 -13.602
  196   1HG   ARG  26          2HG       ARG  26   7.735  -3.037 -12.294
  197   2HG   ARG  26          1HG       ARG  26   9.285  -3.787 -11.900
  198   1HD   ARG  26          2HD       ARG  26   9.832  -3.864 -14.292
  199   2HD   ARG  26          1HD       ARG  26   8.300  -3.071 -14.655
  200    HE   ARG  26           HE       ARG  26   9.606  -1.421 -12.867
  201   1HH1  ARG  26          1HH1      ARG  26  10.254  -2.766 -16.037
  202   2HH1  ARG  26          2HH1      ARG  26  11.166  -1.384 -16.587
  203   1HH2  ARG  26          1HH2      ARG  26  10.801   0.411 -13.584
  204   2HH2  ARG  26          2HH2      ARG  26  11.470   0.422 -15.191
  205    H    GLN  27           H        GLN  27   8.110  -7.925 -10.775
  206    HA   GLN  27           HA       GLN  27  10.016  -8.708  -9.801
  207   1HB   GLN  27          2HB       GLN  27  11.245  -6.866 -10.906
  208   2HB   GLN  27          1HB       GLN  27  10.889  -5.827  -9.532
  209   1HG   GLN  27          2HG       GLN  27  12.143  -7.363  -8.076
  210   2HG   GLN  27          1HG       GLN  27  12.532  -8.351  -9.484
  211   1HE2  GLN  27          1HE2      GLN  27  14.730  -8.051  -9.264
  212   2HE2  GLN  27          2HE2      GLN  27  15.505  -6.537  -9.612
  213    H    GLY  28           H        GLY  28   9.082  -5.658  -8.111
  214   1HA   GLY  28          2HA       GLY  28   8.810  -7.261  -5.673
  215   2HA   GLY  28          1HA       GLY  28  10.060  -6.036  -5.685
  216    H    ASP  29           H        ASP  29   8.136  -4.298  -7.372
  217    HA   ASP  29           HA       ASP  29   7.016  -2.957  -5.100
  218   1HB   ASP  29          2HB       ASP  29   6.330  -2.385  -7.983
  219   2HB   ASP  29          1HB       ASP  29   6.222  -1.292  -6.615
  220    H    GLY  30           H        GLY  30   5.340  -3.809  -4.076
  221   1HA   GLY  30          2HA       GLY  30   3.412  -5.456  -5.443
  222   2HA   GLY  30          1HA       GLY  30   3.413  -5.049  -3.733
  223    H    ILE  31           H        ILE  31   1.297  -5.048  -5.834
  224    HA   ILE  31           HA       ILE  31   0.525  -2.214  -5.724
  225    HB   ILE  31           HB       ILE  31  -0.588  -4.430  -7.454
  226   1HG1  ILE  31          2HG1      ILE  31   1.654  -3.772  -8.147
  227   2HG1  ILE  31          1HG1      ILE  31   0.471  -3.196  -9.311
  228   1HG2  ILE  31          1HG2      ILE  31  -1.836  -2.655  -8.594
  229   2HG2  ILE  31          2HG2      ILE  31  -1.227  -1.481  -7.427
  230   3HG2  ILE  31          3HG2      ILE  31  -2.292  -2.783  -6.895
  231   1HD1  ILE  31          1HD1      ILE  31   1.777  -1.533  -7.172
  232   2HD1  ILE  31          2HD1      ILE  31   0.612  -0.957  -8.366
  233   3HD1  ILE  31          3HD1      ILE  31   2.196  -1.535  -8.883
  234    H    ALA  32           H        ALA  32  -0.438  -1.942  -3.808
  235    HA   ALA  32           HA       ALA  32  -2.595  -3.771  -3.030
  236   1HB   ALA  32          1HB       ALA  32  -2.589  -2.558  -0.900
  237   2HB   ALA  32          2HB       ALA  32  -1.361  -1.455  -1.525
  238   3HB   ALA  32          3HB       ALA  32  -0.979  -3.161  -1.290
  239    H    ARG  33           H        ARG  33  -4.732  -3.006  -2.764
  240    HA   ARG  33           HA       ARG  33  -5.243  -0.285  -3.686
  241   1HB   ARG  33          2HB       ARG  33  -7.152  -1.140  -5.094
  242   2HB   ARG  33          1HB       ARG  33  -5.541  -1.475  -5.712
  243   1HG   ARG  33          2HG       ARG  33  -5.676  -3.758  -5.002
  244   2HG   ARG  33          1HG       ARG  33  -7.203  -3.455  -4.172
  245   1HD   ARG  33          2HD       ARG  33  -7.467  -4.580  -6.369
  246   2HD   ARG  33          1HD       ARG  33  -8.319  -3.043  -6.252
  247    HE   ARG  33           HE       ARG  33  -6.774  -2.079  -7.737
  248   1HH1  ARG  33          1HH1      ARG  33  -6.150  -5.481  -7.160
  249   2HH1  ARG  33          2HH1      ARG  33  -5.084  -5.652  -8.529
  250   1HH2  ARG  33          1HH2      ARG  33  -5.428  -2.316  -9.566
  251   2HH2  ARG  33          2HH2      ARG  33  -4.715  -3.860  -9.926
  252    H    ILE  34           H        ILE  34  -6.171   0.592  -1.982
  253    HA   ILE  34           HA       ILE  34  -8.317  -0.884  -0.621
  254    HB   ILE  34           HB       ILE  34  -6.813   1.606   0.186
  255   1HG1  ILE  34          2HG1      ILE  34  -7.034  -1.169   1.372
  256   2HG1  ILE  34          1HG1      ILE  34  -5.617  -0.473   0.593
  257   1HG2  ILE  34          1HG2      ILE  34  -8.198   1.693   2.175
  258   2HG2  ILE  34          2HG2      ILE  34  -9.121   0.297   1.622
  259   3HG2  ILE  34          3HG2      ILE  34  -9.209   1.819   0.731
  260   1HD1  ILE  34          1HD1      ILE  34  -5.479   1.185   2.402
  261   2HD1  ILE  34          2HD1      ILE  34  -5.337  -0.475   2.979
  262   3HD1  ILE  34          3HD1      ILE  34  -6.850   0.406   3.192
  263    H    GLU  35           H        GLU  35 -10.287  -0.516  -1.222
  264    HA   GLU  35           HA       GLU  35 -12.159   0.412  -2.099
  265   1HB   GLU  35          2HB       GLU  35 -11.530   2.302  -0.532
  266   2HB   GLU  35          1HB       GLU  35 -10.783   3.092  -1.914
  267   1HG   GLU  35          2HG       GLU  35 -13.037   2.886  -3.047
  268   2HG   GLU  35          1HG       GLU  35 -13.680   2.477  -1.460
  269    H    GLY  36           H        GLY  36  -9.244   0.354  -3.554
  270   1HA   GLY  36          2HA       GLY  36  -9.258  -0.052  -5.982
  271   2HA   GLY  36          1HA       GLY  36 -10.301   1.356  -6.119
  272    H    PHE  37           H        PHE  37  -8.452   2.476  -3.857
  273    HA   PHE  37           HA       PHE  37  -6.809   3.981  -5.658
  274   1HB   PHE  37          2HB       PHE  37  -7.872   4.826  -3.493
  275   2HB   PHE  37          1HB       PHE  37  -6.602   3.950  -2.645
  276    HD1  PHE  37           HD1      PHE  37  -7.140   6.551  -5.236
  277    HD2  PHE  37           HD2      PHE  37  -4.547   4.968  -2.257
  278    HE1  PHE  37           HE1      PHE  37  -5.654   8.491  -5.508
  279    HE2  PHE  37           HE2      PHE  37  -3.053   6.906  -2.529
  280    HZ   PHE  37           HZ       PHE  37  -3.608   8.670  -4.154
  281    H    VAL  38           H        VAL  38  -4.752   3.636  -6.210
  282    HA   VAL  38           HA       VAL  38  -3.609   1.084  -5.506
  283    HB   VAL  38           HB       VAL  38  -2.508   3.211  -7.352
  284   1HG1  VAL  38          1HG1      VAL  38  -1.836   0.282  -7.096
  285   2HG1  VAL  38          2HG1      VAL  38  -0.813   1.633  -6.607
  286   3HG1  VAL  38          3HG1      VAL  38  -1.190   1.386  -8.312
  287   1HG2  VAL  38          1HG2      VAL  38  -4.707   2.472  -8.091
  288   2HG2  VAL  38          2HG2      VAL  38  -4.195   0.789  -7.977
  289   3HG2  VAL  38          3HG2      VAL  38  -3.453   1.857  -9.169
  290    H    ILE  39           H        ILE  39  -2.050   0.688  -4.123
  291    HA   ILE  39           HA       ILE  39  -0.365   2.909  -3.160
  292    HB   ILE  39           HB       ILE  39  -1.191   0.476  -1.560
  293   1HG1  ILE  39          2HG1      ILE  39  -2.185   3.328  -1.300
  294   2HG1  ILE  39          1HG1      ILE  39  -3.109   1.998  -1.998
  295   1HG2  ILE  39          1HG2      ILE  39  -0.229   1.712   0.332
  296   2HG2  ILE  39          2HG2      ILE  39   0.266   2.997  -0.770
  297   3HG2  ILE  39          3HG2      ILE  39   0.967   1.386  -0.922
  298   1HD1  ILE  39          1HD1      ILE  39  -3.086   0.848   0.138
  299   2HD1  ILE  39          2HD1      ILE  39  -3.767   2.465   0.302
  300   3HD1  ILE  39          3HD1      ILE  39  -2.120   2.143   0.843
  301    H    PHE  40           H        PHE  40   1.746   2.626  -3.567
  302    HA   PHE  40           HA       PHE  40   2.655   0.055  -4.589
  303   1HB   PHE  40          2HB       PHE  40   3.868   2.810  -4.525
  304   2HB   PHE  40          1HB       PHE  40   4.823   1.397  -4.957
  305    HD1  PHE  40           HD1      PHE  40   4.815   0.588  -7.129
  306    HD2  PHE  40           HD2      PHE  40   1.755   3.275  -5.894
  307    HE1  PHE  40           HE1      PHE  40   4.029   0.759  -9.456
  308    HE2  PHE  40           HE2      PHE  40   0.964   3.448  -8.215
  309    HZ   PHE  40           HZ       PHE  40   2.104   2.191 -10.001
  310    H    VAL  41           H        VAL  41   3.991  -1.309  -3.566
  311    HA   VAL  41           HA       VAL  41   5.177  -0.448  -1.010
  312    HB   VAL  41           HB       VAL  41   3.845  -3.135  -1.418
  313   1HG1  VAL  41          1HG1      VAL  41   4.177  -3.396   0.990
  314   2HG1  VAL  41          2HG1      VAL  41   4.998  -1.837   1.047
  315   3HG1  VAL  41          3HG1      VAL  41   5.711  -3.176   0.147
  316   1HG2  VAL  41          1HG2      VAL  41   2.155  -1.378  -1.340
  317   2HG2  VAL  41          2HG2      VAL  41   2.859  -0.753   0.151
  318   3HG2  VAL  41          3HG2      VAL  41   2.114  -2.351   0.128
  319    HA   PRO  42           HA       PRO  42   8.554  -2.206  -3.450
  320   1HB   PRO  42          2HB       PRO  42  10.245  -1.016  -1.384
  321   2HB   PRO  42          1HB       PRO  42  10.179  -0.665  -3.110
  322   1HG   PRO  42          2HG       PRO  42   9.293   1.069  -1.236
  323   2HG   PRO  42          1HG       PRO  42   8.575   0.958  -2.853
  324   1HD   PRO  42          2HD       PRO  42   7.585  -0.156  -0.256
  325   2HD   PRO  42          1HD       PRO  42   6.673   0.603  -1.578
  326    H    GLY  43           H        GLY  43   8.411  -4.398  -3.029
  327   1HA   GLY  43          2HA       GLY  43   9.959  -6.092  -2.199
  328   2HA   GLY  43          1HA       GLY  43   9.941  -5.260  -0.653
  329    H    THR  44           H        THR  44   7.299  -6.297  -2.808
  330    HA   THR  44           HA       THR  44   6.439  -8.174  -0.731
  331    HB   THR  44           HB       THR  44   4.035  -7.404  -1.330
  332    HG1  THR  44           HG1      THR  44   5.483  -5.003  -1.857
  333   1HG2  THR  44          1HG2      THR  44   4.983  -7.229   0.896
  334   2HG2  THR  44          2HG2      THR  44   4.070  -5.770   0.509
  335   3HG2  THR  44          3HG2      THR  44   5.832  -5.752   0.441
  336    H    LYS  45           H        LYS  45   4.509  -9.517  -1.607
  337    HA   LYS  45           HA       LYS  45   4.934 -10.122  -4.451
  338   1HB   LYS  45          2HB       LYS  45   6.125 -11.614  -2.576
  339   2HB   LYS  45          1HB       LYS  45   4.547 -12.386  -2.552
  340   1HG   LYS  45          2HG       LYS  45   5.566 -13.678  -4.112
  341   2HG   LYS  45          1HG       LYS  45   4.924 -12.419  -5.167
  342   1HD   LYS  45          2HD       LYS  45   7.709 -12.390  -4.009
  343   2HD   LYS  45          1HD       LYS  45   7.315 -13.027  -5.604
  344   1HE   LYS  45          2HE       LYS  45   6.739 -10.914  -6.429
  345   2HE   LYS  45          1HE       LYS  45   6.579 -10.228  -4.812
  346   1HZ   LYS  45          1HZ       LYS  45   8.638  -9.579  -6.048
  347   2HZ   LYS  45          2HZ       LYS  45   9.163 -11.183  -5.913
  348   3HZ   LYS  45          3HZ       LYS  45   8.908 -10.255  -4.519
  349    H    VAL  46           H        VAL  46   3.173 -11.635  -5.277
  350    HA   VAL  46           HA       VAL  46   0.622 -10.580  -4.650
  351    HB   VAL  46           HB       VAL  46   1.214 -13.151  -6.131
  352   1HG1  VAL  46          1HG1      VAL  46  -1.195 -11.335  -6.201
  353   2HG1  VAL  46          2HG1      VAL  46  -1.116 -12.931  -5.452
  354   3HG1  VAL  46          3HG1      VAL  46  -0.952 -12.769  -7.200
  355   1HG2  VAL  46          1HG2      VAL  46   0.943 -10.345  -7.205
  356   2HG2  VAL  46          2HG2      VAL  46   1.098 -11.809  -8.177
  357   3HG2  VAL  46          3HG2      VAL  46   2.427 -11.297  -7.137
  358    H    GLY  47           H        GLY  47  -0.536 -11.000  -2.898
  359   1HA   GLY  47          2HA       GLY  47  -1.800 -12.448  -1.520
  360   2HA   GLY  47          1HA       GLY  47  -0.704 -13.759  -1.924
  361    H    ASP  48           H        ASP  48   1.173 -11.127  -1.274
  362    HA   ASP  48           HA       ASP  48   2.007 -12.194   1.256
  363   1HB   ASP  48          2HB       ASP  48   3.382 -10.906  -0.612
  364   2HB   ASP  48          1HB       ASP  48   2.883  -9.493   0.308
  365    H    GLU  49           H        GLU  49   1.208 -11.684   3.182
  366    HA   GLU  49           HA       GLU  49  -0.569  -9.358   3.384
  367   1HB   GLU  49          2HB       GLU  49  -0.332 -11.821   5.120
  368   2HB   GLU  49          1HB       GLU  49  -1.418 -10.477   5.443
  369   1HG   GLU  49          2HG       GLU  49  -2.595 -10.903   3.363
  370   2HG   GLU  49          1HG       GLU  49  -1.487 -12.225   2.996
  371    H    VAL  50           H        VAL  50   0.439  -7.615   4.112
  372    HA   VAL  50           HA       VAL  50   2.184  -7.872   6.457
  373    HB   VAL  50           HB       VAL  50   3.739  -6.178   5.456
  374   1HG1  VAL  50          1HG1      VAL  50   4.364  -8.515   5.573
  375   2HG1  VAL  50          2HG1      VAL  50   4.978  -7.784   4.090
  376   3HG1  VAL  50          3HG1      VAL  50   3.557  -8.829   4.035
  377   1HG2  VAL  50          1HG2      VAL  50   3.787  -5.950   3.013
  378   2HG2  VAL  50          2HG2      VAL  50   2.302  -5.305   3.710
  379   3HG2  VAL  50          3HG2      VAL  50   2.286  -6.875   2.903
  380    H    ARG  51           H        ARG  51   2.529  -5.868   7.592
  381    HA   ARG  51           HA       ARG  51   0.336  -3.961   7.233
  382   1HB   ARG  51          2HB       ARG  51   2.344  -4.303   9.469
  383   2HB   ARG  51          1HB       ARG  51   1.132  -3.027   9.415
  384   1HG   ARG  51          2HG       ARG  51  -0.631  -4.722   9.381
  385   2HG   ARG  51          1HG       ARG  51   0.598  -5.980   9.494
  386   1HD   ARG  51          2HD       ARG  51   1.319  -5.098  11.651
  387   2HD   ARG  51          1HD       ARG  51   0.127  -3.803  11.528
  388    HE   ARG  51           HE       ARG  51  -1.143  -6.319  11.275
  389   1HH1  ARG  51          1HH1      ARG  51   0.310  -4.189  13.663
  390   2HH1  ARG  51          2HH1      ARG  51  -0.619  -4.840  14.981
  391   1HH2  ARG  51          1HH2      ARG  51  -2.310  -7.204  13.018
  392   2HH2  ARG  51          2HH2      ARG  51  -2.086  -6.570  14.624
  393    H    ILE  52           H        ILE  52   0.658  -2.114   6.237
  394    HA   ILE  52           HA       ILE  52   3.438  -1.211   5.851
  395    HB   ILE  52           HB       ILE  52   2.728  -0.184   3.732
  396   1HG1  ILE  52          2HG1      ILE  52   0.115  -1.657   4.148
  397   2HG1  ILE  52          1HG1      ILE  52   0.324   0.078   4.349
  398   1HG2  ILE  52          1HG2      ILE  52   2.500  -2.259   2.438
  399   2HG2  ILE  52          2HG2      ILE  52   2.145  -3.137   3.926
  400   3HG2  ILE  52          3HG2      ILE  52   3.729  -2.394   3.697
  401   1HD1  ILE  52          1HD1      ILE  52   0.924   0.280   1.993
  402   2HD1  ILE  52          2HD1      ILE  52  -0.671  -0.441   2.202
  403   3HD1  ILE  52          3HD1      ILE  52   0.708  -1.459   1.790
  404    H    LYS  53           H        LYS  53   3.909   0.904   6.178
  405    HA   LYS  53           HA       LYS  53   1.757   2.579   7.255
  406   1HB   LYS  53          2HB       LYS  53   3.869   2.379   8.577
  407   2HB   LYS  53          1HB       LYS  53   4.741   3.110   7.236
  408   1HG   LYS  53          2HG       LYS  53   3.205   5.106   7.487
  409   2HG   LYS  53          1HG       LYS  53   2.657   4.382   9.000
  410   1HD   LYS  53          2HD       LYS  53   4.986   4.387   9.809
  411   2HD   LYS  53          1HD       LYS  53   5.485   5.172   8.313
  412   1HE   LYS  53          2HE       LYS  53   5.286   6.865   9.965
  413   2HE   LYS  53          1HE       LYS  53   3.917   7.035   8.871
  414   1HZ   LYS  53          1HZ       LYS  53   3.818   5.657  11.502
  415   2HZ   LYS  53          2HZ       LYS  53   2.505   5.962  10.477
  416   3HZ   LYS  53          3HZ       LYS  53   3.306   7.253  11.224
  417    H    VAL  54           H        VAL  54   0.716   3.656   5.706
  418    HA   VAL  54           HA       VAL  54   1.896   4.420   3.224
  419    HB   VAL  54           HB       VAL  54  -0.625   5.461   4.551
  420   1HG1  VAL  54          1HG1      VAL  54  -1.266   6.201   2.304
  421   2HG1  VAL  54          2HG1      VAL  54   0.312   5.700   1.695
  422   3HG1  VAL  54          3HG1      VAL  54   0.196   7.014   2.867
  423   1HG2  VAL  54          1HG2      VAL  54  -0.207   3.311   2.486
  424   2HG2  VAL  54          2HG2      VAL  54  -1.775   3.935   2.996
  425   3HG2  VAL  54          3HG2      VAL  54  -0.749   3.082   4.148
  426    H    GLU  55           H        GLU  55   3.484   5.847   3.148
  427    HA   GLU  55           HA       GLU  55   3.806   7.744   5.321
  428   1HB   GLU  55          2HB       GLU  55   5.613   7.140   2.975
  429   2HB   GLU  55          1HB       GLU  55   6.026   8.117   4.372
  430   1HG   GLU  55          2HG       GLU  55   5.701   6.111   5.800
  431   2HG   GLU  55          1HG       GLU  55   5.463   5.168   4.329
  432    H    ARG  56           H        ARG  56   3.294   7.731   1.836
  433    HA   ARG  56           HA       ARG  56   2.710  10.601   1.952
  434   1HB   ARG  56          2HB       ARG  56   4.843   9.293   0.323
  435   2HB   ARG  56          1HB       ARG  56   3.958  10.633  -0.387
  436   1HG   ARG  56          2HG       ARG  56   5.459  10.747   2.220
  437   2HG   ARG  56          1HG       ARG  56   6.075  11.313   0.667
  438   1HD   ARG  56          2HD       ARG  56   3.952  12.761   0.594
  439   2HD   ARG  56          1HD       ARG  56   3.825  12.412   2.316
  440    HE   ARG  56           HE       ARG  56   6.420  13.382   1.572
  441   1HH1  ARG  56          1HH1      ARG  56   3.180  14.332   2.554
  442   2HH1  ARG  56          2HH1      ARG  56   3.653  15.965   2.941
  443   1HH2  ARG  56          1HH2      ARG  56   7.028  15.526   2.093
  444   2HH2  ARG  56          2HH2      ARG  56   5.823  16.644   2.681
  445    H    VAL  57           H        VAL  57   0.888  11.053   0.926
  446    HA   VAL  57           HA       VAL  57  -0.123   9.156  -1.048
  447    HB   VAL  57           HB       VAL  57  -2.227  10.514  -0.957
  448   1HG1  VAL  57          1HG1      VAL  57  -1.226   9.355   1.645
  449   2HG1  VAL  57          2HG1      VAL  57  -2.034   8.483   0.341
  450   3HG1  VAL  57          3HG1      VAL  57  -2.915   9.695   1.270
  451   1HG2  VAL  57          1HG2      VAL  57  -1.297  12.640  -0.190
  452   2HG2  VAL  57          2HG2      VAL  57  -0.837  11.902   1.343
  453   3HG2  VAL  57          3HG2      VAL  57  -2.541  12.070   0.922
  454    H    LEU  58           H        LEU  58   0.268   9.508  -3.112
  455    HA   LEU  58           HA       LEU  58   1.125  12.193  -3.919
  456   1HB   LEU  58          2HB       LEU  58   1.518   9.529  -5.292
  457   2HB   LEU  58          1HB       LEU  58   2.127  11.068  -5.875
  458    HG   LEU  58           HG       LEU  58   2.965   9.655  -3.342
  459   1HD1  LEU  58          1HD1      LEU  58   4.441  10.218  -5.905
  460   2HD1  LEU  58          2HD1      LEU  58   3.879   8.643  -5.343
  461   3HD1  LEU  58          3HD1      LEU  58   5.137   9.500  -4.452
  462   1HD2  LEU  58          1HD2      LEU  58   4.583  11.448  -3.061
  463   2HD2  LEU  58          2HD2      LEU  58   2.937  12.081  -3.031
  464   3HD2  LEU  58          3HD2      LEU  58   3.932  12.277  -4.474
  465    HA   PRO  59           HA       PRO  59  -2.216  13.416  -6.400
  466   1HB   PRO  59          2HB       PRO  59  -0.556  12.877  -8.835
  467   2HB   PRO  59          1HB       PRO  59  -1.542  14.290  -8.436
  468   1HG   PRO  59          2HG       PRO  59   1.096  14.363  -8.125
  469   2HG   PRO  59          1HG       PRO  59   0.022  15.125  -6.937
  470   1HD   PRO  59          2HD       PRO  59   1.604  12.623  -6.726
  471   2HD   PRO  59          1HD       PRO  59   1.105  13.758  -5.457
  472    H    LYS  60           H        LYS  60  -0.658  10.466  -7.690
  473    HA   LYS  60           HA       LYS  60  -3.319   9.673  -8.672
  474   1HB   LYS  60          2HB       LYS  60  -1.446  10.259 -10.368
  475   2HB   LYS  60          1HB       LYS  60  -0.787   8.686  -9.937
  476   1HG   LYS  60          2HG       LYS  60  -2.110   8.406 -11.890
  477   2HG   LYS  60          1HG       LYS  60  -2.995   7.685 -10.542
  478   1HD   LYS  60          2HD       LYS  60  -4.205   9.916 -10.350
  479   2HD   LYS  60          1HD       LYS  60  -3.507  10.308 -11.922
  480   1HE   LYS  60          2HE       LYS  60  -5.721   9.435 -12.254
  481   2HE   LYS  60          1HE       LYS  60  -4.550   8.252 -12.840
  482   1HZ   LYS  60          1HZ       LYS  60  -5.848   8.151 -10.169
  483   2HZ   LYS  60          2HZ       LYS  60  -4.834   6.970 -10.849
  484   3HZ   LYS  60          3HZ       LYS  60  -6.360   7.263 -11.522
  485    H    PHE  61           H        PHE  61  -1.055   8.906  -6.374
  486    HA   PHE  61           HA       PHE  61  -2.204   6.391  -5.787
  487   1HB   PHE  61          2HB       PHE  61  -0.276   4.919  -6.199
  488   2HB   PHE  61          1HB       PHE  61  -0.888   5.605  -7.697
  489    HD1  PHE  61           HD1      PHE  61   1.890   5.557  -5.320
  490    HD2  PHE  61           HD2      PHE  61   0.423   7.182  -8.967
  491    HE1  PHE  61           HE1      PHE  61   4.155   6.336  -5.879
  492    HE2  PHE  61           HE2      PHE  61   2.682   7.966  -9.532
  493    HZ   PHE  61           HZ       PHE  61   4.554   7.541  -7.990
  494    H    ALA  62           H        ALA  62  -0.966   5.250  -3.988
  495    HA   ALA  62           HA       ALA  62   0.288   7.313  -2.298
  496   1HB   ALA  62          1HB       ALA  62  -1.787   6.427  -1.385
  497   2HB   ALA  62          2HB       ALA  62  -0.415   5.965  -0.379
  498   3HB   ALA  62          3HB       ALA  62  -1.141   4.790  -1.474
  499    H    PHE  63           H        PHE  63   2.147   6.871  -1.172
  500    HA   PHE  63           HA       PHE  63   3.590   4.425  -1.959
  501   1HB   PHE  63          2HB       PHE  63   4.663   6.507  -2.742
  502   2HB   PHE  63          1HB       PHE  63   4.705   7.108  -1.088
  503    HD1  PHE  63           HD1      PHE  63   6.438   6.494   0.387
  504    HD2  PHE  63           HD2      PHE  63   6.030   4.511  -3.355
  505    HE1  PHE  63           HE1      PHE  63   8.636   5.435   0.711
  506    HE2  PHE  63           HE2      PHE  63   8.223   3.447  -3.036
  507    HZ   PHE  63           HZ       PHE  63   9.531   3.908  -1.001
  508    H    ALA  64           H        ALA  64   4.075   3.022  -0.368
  509    HA   ALA  64           HA       ALA  64   3.856   3.974   2.410
  510   1HB   ALA  64          1HB       ALA  64   2.667   1.434   1.297
  511   2HB   ALA  64          2HB       ALA  64   1.773   2.866   1.811
  512   3HB   ALA  64          3HB       ALA  64   2.668   1.911   2.994
  513    H    SER  65           H        SER  65   4.957   2.705   3.966
  514    HA   SER  65           HA       SER  65   7.249   1.252   2.842
  515   1HB   SER  65          2HB       SER  65   7.551   3.332   4.319
  516   2HB   SER  65          1HB       SER  65   7.014   2.315   5.656
  517    HG   SER  65           HG       SER  65   9.375   2.236   4.168
  518    H    VAL  66           H        VAL  66   7.501  -0.868   3.278
  519    HA   VAL  66           HA       VAL  66   5.346  -2.231   4.608
  520    HB   VAL  66           HB       VAL  66   6.198  -3.196   2.570
  521   1HG1  VAL  66          1HG1      VAL  66   8.455  -4.114   2.385
  522   2HG1  VAL  66          2HG1      VAL  66   8.848  -3.468   3.979
  523   3HG1  VAL  66          3HG1      VAL  66   8.480  -2.370   2.648
  524   1HG2  VAL  66          1HG2      VAL  66   6.673  -5.491   3.320
  525   2HG2  VAL  66          2HG2      VAL  66   5.326  -4.762   4.191
  526   3HG2  VAL  66          3HG2      VAL  66   6.907  -4.888   4.961
  527    H    VAL  67           H        VAL  67   5.278  -2.767   6.680
  528    HA   VAL  67           HA       VAL  67   7.791  -2.781   8.197
  529    HB   VAL  67           HB       VAL  67   5.024  -2.722   9.394
  530   1HG1  VAL  67          1HG1      VAL  67   6.840  -3.322  10.907
  531   2HG1  VAL  67          2HG1      VAL  67   6.147  -1.756  11.330
  532   3HG1  VAL  67          3HG1      VAL  67   7.692  -1.836  10.482
  533   1HG2  VAL  67          1HG2      VAL  67   5.224  -0.286   9.581
  534   2HG2  VAL  67          2HG2      VAL  67   5.182  -0.813   7.899
  535   3HG2  VAL  67          3HG2      VAL  67   6.713  -0.341   8.636
  536    H    GLU  68           H        GLU  68   5.953  -4.777   6.614
  537    HA   GLU  68           HA       GLU  68   5.368  -6.965   6.604
  538   1HB   GLU  68          2HB       GLU  68   7.648  -7.124   8.577
  539   2HB   GLU  68          1HB       GLU  68   6.850  -8.529   7.886
  540   1HG   GLU  68          2HG       GLU  68   7.559  -7.870   5.664
  541   2HG   GLU  68          1HG       GLU  68   8.296  -6.405   6.315