*HEADER    STRUCTURAL GENOMICS, UNKNOWN FUNCTION   20-SEP-04   1XHS              
*TITLE     SOLUTION STRUCTURE OF THE HYPOTHETICAL PROTEIN YTFP FROM              
*TITLE    2 ESCHERICHIA COLI. NORTHEAST STRUCTURAL GENOMICS TARGET               
*TITLE    3 ER111.                                                               
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: HYPOTHETICAL UPF0131 PROTEIN YTFP;                         
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI;                               
*SOURCE   3 ORGANISM_COMMON: BACTERIA;                                           
*SOURCE   4 GENE: YTFP;                                                          
*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: ER111-21                                  
*KEYWDS    ER111, NMR STRUCTURE, AUTOSTRUCTURE, NORTHEAST STRUCTURAL             
*KEYWDS   2 GENOMICS CONSORTIUM, NESG, PROTEIN STRUCTURE INITIATIVE,             
*KEYWDS   3 PSI, STRUCTURAL GENOMICS                                             
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    J.M.ARAMINI, Y.J.HUANG, G.V.T.SWAPNA, R.K.PARANJI, R.XIAO,            
*AUTHOR   2 R.SHASTRY, T.B.ACTON, J.R.CORT, M.A.KENNEDY, G.T.MONTELIONE,         
*AUTHOR   3 NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG)                      
*REVDAT   1   04-JAN-05 1XHS    0                                                
# final combined constraints used in the CNS refinement of ER111

#distance constraints
assign (resid 1 and name HB# )(resid 1 and name HE# ) 4.0 2.2 1
assign (resid 1 and name HB# )(resid 2 and name HN ) 4.0 2.2 1
assign (resid 1 and name HB# )(resid 2 and name HA ) 4.0 2.2 1
assign (resid 1 and name HB# )(resid 63 and name HD1# ) 4.0 2.2 1
assign (resid 1 and name HB# )(resid 63 and name HD2# ) 4.0 2.2 1
assign (resid 1 and name HB# )(resid 89 and name HD1 ) 4.0 2.2 1
assign (resid 1 and name HB# )(resid 89 and name HE1 ) 4.0 2.2 1
assign (resid 1 and name HA )(resid 1 and name HG# ) 4.0 2.2 1
assign (resid 1 and name HA )(resid 2 and name HN ) 3.0 1.2 0.5
assign (resid 1 and name HA )(resid 60 and name HA ) 3.0 1.2 0.5
assign (resid 1 and name HG# )(resid 1 and name HE# ) 4.0 2.2 1
assign (resid 1 and name HG# )(resid 2 and name HN ) 4.0 2.2 1
assign (resid 1 and name HG# )(resid 58 and name HD1# ) 4.0 2.2 1
assign (resid 1 and name HG# )(resid 63 and name HG ) 4.0 2.2 1
assign (resid 1 and name HG# )(resid 63 and name HD1# ) 4.0 2.2 1
assign (resid 1 and name HG# )(resid 63 and name HD2# ) 4.0 2.2 1
assign (resid 1 and name HG# )(resid 89 and name HD1 ) 4.0 2.2 1
assign (resid 1 and name HG# )(resid 89 and name HE1 ) 4.0 2.2 1
assign (resid 1 and name HE# )(resid 2 and name HN ) 4.0 2.2 1
assign (resid 1 and name HE# )(resid 58 and name HD1# ) 4.0 2.2 1
assign (resid 1 and name HE# )(resid 60 and name HN ) 4.0 2.2 1
assign (resid 1 and name HE# )(resid 60 and name HA ) 4.0 2.2 1
assign (resid 1 and name HE# )(resid 60 and name HB# ) 4.0 2.2 1
assign (resid 1 and name HE# )(resid 60 and name HD21 ) 4.0 2.2 1
assign (resid 1 and name HE# )(resid 60 and name HD22 ) 4.0 2.2 1
assign (resid 1 and name HE# )(resid 63 and name HN ) 4.0 2.2 1
assign (resid 1 and name HE# )(resid 63 and name HG ) 4.0 2.2 1
assign (resid 1 and name HE# )(resid 63 and name HD1# ) 4.0 2.2 1
assign (resid 1 and name HE# )(resid 63 and name HD2# ) 4.0 2.2 1
assign (resid 1 and name HE# )(resid 89 and name HD1 ) 4.0 2.2 1
assign (resid 1 and name HE# )(resid 89 and name HE1 ) 4.0 2.2 1
assign (resid 2 and name HN )(resid 2 and name HA ) 4.0 2.2 1
assign (resid 2 and name HN )(resid 2 and name HB2 ) 3.0 1.2 0.5
assign (resid 2 and name HN )(resid 2 and name HB1 ) 3.0 1.2 0.5
assign (resid 2 and name HN )(resid 2 and name HG# ) 4.0 2.2 1
assign (resid 2 and name HN )(resid 3 and name HN ) 4.0 2.2 1
assign (resid 2 and name HN )(resid 63 and name HD1# ) 4.0 2.2 1
assign (resid 2 and name HN )(resid 88 and name HA ) 4.0 2.2 1
assign (resid 2 and name HN )(resid 89 and name HD1 ) 4.0 2.2 1
assign (resid 2 and name HA )(resid 2 and name HG2 ) 4.0 2.2 1
assign (resid 2 and name HA )(resid 2 and name HG1 ) 4.0 2.2 1
assign (resid 2 and name HA )(resid 2 and name HD# ) 4.0 2.2 1
assign (resid 2 and name HA )(resid 3 and name HN ) 3.0 1.2 0.5
assign (resid 2 and name HA )(resid 25 and name HD1# ) 4.0 2.2 1
assign (resid 2 and name HA )(resid 57 and name HA ) 4.0 2.2 1
assign (resid 2 and name HA )(resid 58 and name HN ) 4.0 2.2 1
assign (resid 2 and name HA )(resid 58 and name HG1# ) 4.0 2.2 1
assign (resid 2 and name HA )(resid 58 and name HD1# ) 4.0 2.2 1
assign (resid 2 and name HA )(resid 88 and name HB# ) 4.0 2.2 1
assign (resid 2 and name HB2 )(resid 2 and name HD# ) 4.0 2.2 1
assign (resid 2 and name HB1 )(resid 2 and name HD# ) 4.0 2.2 1
assign (resid 2 and name HB2 )(resid 2 and name HE ) 4.0 2.2 1
assign (resid 2 and name HB1 )(resid 2 and name HE ) 4.0 2.2 1
assign (resid 2 and name HB2 )(resid 3 and name HN ) 4.0 2.2 1
assign (resid 2 and name HB1 )(resid 3 and name HN ) 4.0 2.2 1
assign (resid 2 and name HB# )(resid 55 and name HG1# ) 4.0 2.2 1
assign (resid 2 and name HB# )(resid 88 and name HA ) 4.0 2.2 1
assign (resid 2 and name HB2 )(resid 88 and name HB# ) 4.0 2.2 1
assign (resid 2 and name HB1 )(resid 88 and name HB# ) 4.0 2.2 1
assign (resid 2 and name HG# )(resid 2 and name HE ) 4.0 2.2 1
assign (resid 2 and name HG2 )(resid 3 and name HN ) 4.0 2.2 1
assign (resid 2 and name HG1 )(resid 3 and name HN ) 4.0 2.2 1
assign (resid 2 and name HG# )(resid 55 and name HG1# ) 4.0 2.2 1
assign (resid 2 and name HG# )(resid 57 and name HA ) 4.0 2.2 1
assign (resid 2 and name HG# )(resid 57 and name HB# ) 4.0 2.2 1
assign (resid 2 and name HG# )(resid 57 and name HG# ) 4.0 2.2 1
assign (resid 2 and name HD2 )(resid 25 and name HD1# ) 4.0 2.2 1
assign (resid 2 and name HD1 )(resid 25 and name HD1# ) 4.0 2.2 1
assign (resid 2 and name HD# )(resid 57 and name HB# ) 4.0 2.2 1
assign (resid 2 and name HE )(resid 87 and name HN ) 4.0 2.2 1
assign (resid 3 and name HN )(resid 3 and name HA ) 4.0 2.2 1
assign (resid 3 and name HN )(resid 3 and name HB ) 4.0 2.2 1
assign (resid 3 and name HN )(resid 3 and name HG12 ) 4.0 2.2 1
assign (resid 3 and name HN )(resid 3 and name HG11 ) 4.0 2.2 1
assign (resid 3 and name HN )(resid 3 and name HG2# ) 4.0 2.2 1
assign (resid 3 and name HN )(resid 3 and name HD1# ) 4.0 2.2 1
assign (resid 3 and name HN )(resid 55 and name HG1# ) 4.0 2.2 1
assign (resid 3 and name HN )(resid 56 and name HN ) 3.0 1.2 0.5
assign (resid 3 and name HN )(resid 56 and name HB# ) 4.0 2.2 1
assign (resid 3 and name HN )(resid 57 and name HA ) 4.0 2.2 1
assign (resid 3 and name HN )(resid 58 and name HN ) 4.0 2.2 1
assign (resid 3 and name HN )(resid 58 and name HD1# ) 4.0 2.2 1
assign (resid 3 and name HN )(resid 88 and name HB# ) 4.0 2.2 1
assign (resid 3 and name HN )(resid 89 and name HN ) 4.0 2.2 1
assign (resid 3 and name HA )(resid 3 and name HG12 ) 4.0 2.2 1
assign (resid 3 and name HA )(resid 3 and name HG11 ) 4.0 2.2 1
assign (resid 3 and name HA )(resid 3 and name HG2# ) 4.0 2.2 1
assign (resid 3 and name HA )(resid 3 and name HD1# ) 4.0 2.2 1
assign (resid 3 and name HA )(resid 4 and name HN ) 3.0 1.2 0.5
assign (resid 3 and name HA )(resid 88 and name HB# ) 4.0 2.2 1
assign (resid 3 and name HA )(resid 89 and name HN ) 4.0 2.2 1
assign (resid 3 and name HA )(resid 89 and name HB2 ) 4.0 2.2 1
assign (resid 3 and name HA )(resid 89 and name HB1 ) 4.0 2.2 1
assign (resid 3 and name HA )(resid 89 and name HD1 ) 4.0 2.2 1
assign (resid 3 and name HB )(resid 3 and name HD1# ) 4.0 2.2 1
assign (resid 3 and name HB )(resid 4 and name HN ) 4.0 2.2 1
assign (resid 3 and name HG12 )(resid 3 and name HG2# ) 4.0 2.2 1
assign (resid 3 and name HG11 )(resid 3 and name HG2# ) 4.0 2.2 1
assign (resid 3 and name HG12 )(resid 4 and name HN ) 4.0 2.2 1
assign (resid 3 and name HG11 )(resid 4 and name HN ) 4.0 2.2 1
assign (resid 3 and name HG1# )(resid 63 and name HD1# ) 4.0 2.2 1
assign (resid 3 and name HG12 )(resid 89 and name HN ) 4.0 2.2 1
assign (resid 3 and name HG11 )(resid 89 and name HN ) 4.0 2.2 1
assign (resid 3 and name HG12 )(resid 89 and name HB# ) 4.0 2.2 1
assign (resid 3 and name HG11 )(resid 89 and name HB# ) 4.0 2.2 1
assign (resid 3 and name HG1# )(resid 89 and name HD1 ) 4.0 2.2 1
assign (resid 3 and name HG2# )(resid 3 and name HD1# ) 4.0 2.2 1
assign (resid 3 and name HG2# )(resid 4 and name HN ) 4.0 2.2 1
assign (resid 3 and name HG2# )(resid 5 and name HG1# ) 4.0 2.2 1
assign (resid 3 and name HG2# )(resid 18 and name HZ3 ) 4.0 2.2 1
assign (resid 3 and name HG2# )(resid 18 and name HH2 ) 4.0 2.2 1
assign (resid 3 and name HG2# )(resid 56 and name HN ) 4.0 2.2 1
assign (resid 3 and name HG2# )(resid 56 and name HB# ) 4.0 2.2 1
assign (resid 3 and name HG2# )(resid 58 and name HD1# ) 4.0 2.2 1
assign (resid 3 and name HG2# )(resid 63 and name HD1# ) 4.0 2.2 1
assign (resid 3 and name HG2# )(resid 66 and name HD1# ) 4.0 2.2 1
assign (resid 3 and name HG2# )(resid 89 and name HB# ) 4.0 2.2 1
assign (resid 3 and name HG2# )(resid 89 and name HD1 ) 4.0 2.2 1
assign (resid 3 and name HD1# )(resid 4 and name HN ) 4.0 2.2 1
assign (resid 3 and name HD1# )(resid 18 and name HZ3 ) 4.0 2.2 1
assign (resid 3 and name HD1# )(resid 18 and name HH2 ) 4.0 2.2 1
assign (resid 3 and name HD1# )(resid 58 and name HD1# ) 4.0 2.2 1
assign (resid 3 and name HD1# )(resid 63 and name HD1# ) 4.0 2.2 1
assign (resid 3 and name HD1# )(resid 66 and name HD1# ) 4.0 2.2 1
assign (resid 3 and name HD1# )(resid 66 and name HD2# ) 4.0 2.2 1
assign (resid 3 and name HD1# )(resid 89 and name HB# ) 4.0 2.2 1
assign (resid 3 and name HD1# )(resid 89 and name HD1 ) 4.0 2.2 1
assign (resid 3 and name HD1# )(resid 91 and name HD# ) 4.0 2.2 1
assign (resid 3 and name HD1# )(resid 91 and name HE# ) 4.0 2.2 1
assign (resid 4 and name HN )(resid 4 and name HA ) 4.0 2.2 1
assign (resid 4 and name HN )(resid 4 and name HB2 ) 4.0 2.2 1
assign (resid 4 and name HN )(resid 4 and name HB1 ) 4.0 2.2 1
assign (resid 4 and name HN )(resid 4 and name HD# ) 4.0 2.2 1
assign (resid 4 and name HN )(resid 5 and name HN ) 4.0 2.2 1
assign (resid 4 and name HN )(resid 81 and name HD1# ) 4.0 2.2 1
assign (resid 4 and name HN )(resid 88 and name HB# ) 4.0 2.2 1
assign (resid 4 and name HN )(resid 89 and name HN ) 4.0 2.2 1
assign (resid 4 and name HN )(resid 90 and name HA ) 4.0 2.2 1
assign (resid 4 and name HN )(resid 90 and name HB# ) 4.0 2.2 1
assign (resid 4 and name HA )(resid 4 and name HD# ) 4.0 2.2 1
assign (resid 4 and name HA )(resid 5 and name HN ) 3.0 1.2 0.5
assign (resid 4 and name HA )(resid 5 and name HG2# ) 4.0 2.2 1
assign (resid 4 and name HA )(resid 54 and name HN ) 4.0 2.2 1
assign (resid 4 and name HA )(resid 55 and name HA ) 4.0 2.2 1
assign (resid 4 and name HA )(resid 55 and name HG1# ) 4.0 2.2 1
assign (resid 4 and name HA )(resid 55 and name HG2# ) 4.0 2.2 1
assign (resid 4 and name HB2 )(resid 4 and name HD# ) 4.0 2.2 1
assign (resid 4 and name HB1 )(resid 4 and name HD# ) 4.0 2.2 1
assign (resid 4 and name HB# )(resid 55 and name HA ) 4.0 2.2 1
assign (resid 4 and name HB2 )(resid 55 and name HG2# ) 4.0 2.2 1
assign (resid 4 and name HB1 )(resid 55 and name HG2# ) 4.0 2.2 1
assign (resid 4 and name HB2 )(resid 81 and name HD1# ) 4.0 2.2 1
assign (resid 4 and name HB1 )(resid 81 and name HD1# ) 4.0 2.2 1
assign (resid 4 and name HB# )(resid 83 and name HG2# ) 4.0 2.2 1
assign (resid 4 and name HB2 )(resid 88 and name HB# ) 4.0 2.2 1
assign (resid 4 and name HB1 )(resid 88 and name HB# ) 4.0 2.2 1
assign (resid 4 and name HB# )(resid 90 and name HB# ) 4.0 2.2 1
assign (resid 4 and name HD# )(resid 5 and name HN ) 4.0 2.2 1
assign (resid 4 and name HD# )(resid 6 and name HD# ) 4.0 2.2 1
assign (resid 4 and name HD# )(resid 30 and name HD1# ) 4.0 2.2 1
assign (resid 4 and name HD# )(resid 55 and name HA ) 4.0 2.2 1
assign (resid 4 and name HD# )(resid 55 and name HG1# ) 4.0 2.2 1
assign (resid 4 and name HD# )(resid 55 and name HG2# ) 4.0 2.2 1
assign (resid 4 and name HD# )(resid 81 and name HD1# ) 4.0 2.2 1
assign (resid 4 and name HD# )(resid 83 and name HG2# ) 4.0 2.2 1
assign (resid 4 and name HD# )(resid 88 and name HB# ) 4.0 2.2 1
assign (resid 4 and name HD# )(resid 90 and name HB# ) 4.0 2.2 1
assign (resid 4 and name HD# )(resid 90 and name HG2 ) 4.0 2.2 1
assign (resid 4 and name HD# )(resid 90 and name HG1 ) 4.0 2.2 1
assign (resid 4 and name HD# )(resid 90 and name HE# ) 4.0 2.2 1
assign (resid 4 and name HE# )(resid 5 and name HN ) 4.0 2.2 1
assign (resid 4 and name HE# )(resid 6 and name HB2 ) 4.0 2.2 1
assign (resid 4 and name HE# )(resid 6 and name HB1 ) 4.0 2.2 1
assign (resid 4 and name HE# )(resid 6 and name HD# ) 4.0 2.2 1
assign (resid 4 and name HE# )(resid 28 and name HN ) 4.0 2.2 1
assign (resid 4 and name HE# )(resid 28 and name HB2 ) 4.0 2.2 1
assign (resid 4 and name HE# )(resid 28 and name HB1 ) 4.0 2.2 1
assign (resid 4 and name HE# )(resid 28 and name HD# ) 4.0 2.2 1
assign (resid 4 and name HE# )(resid 29 and name HA ) 4.0 2.2 1
assign (resid 4 and name HE# )(resid 30 and name HG2# ) 4.0 2.2 1
assign (resid 4 and name HE# )(resid 30 and name HD1# ) 4.0 2.2 1
assign (resid 4 and name HE# )(resid 51 and name HG1# ) 4.0 2.2 1
assign (resid 4 and name HE# )(resid 53 and name HN ) 4.0 2.2 1
assign (resid 4 and name HE# )(resid 53 and name HA# ) 4.0 2.2 1
assign (resid 4 and name HE# )(resid 54 and name HN ) 4.0 2.2 1
assign (resid 4 and name HE# )(resid 55 and name HG2# ) 4.0 2.2 1
assign (resid 4 and name HE# )(resid 90 and name HE# ) 4.0 2.2 1
assign (resid 4 and name HZ )(resid 29 and name HA ) 4.0 2.2 1
assign (resid 4 and name HZ )(resid 30 and name HN ) 4.0 2.2 1
assign (resid 4 and name HZ )(resid 30 and name HG12 ) 4.0 2.2 1
assign (resid 4 and name HZ )(resid 30 and name HG11 ) 4.0 2.2 1
assign (resid 4 and name HZ )(resid 30 and name HG2# ) 4.0 2.2 1
assign (resid 4 and name HZ )(resid 30 and name HD1# ) 4.0 2.2 1
assign (resid 4 and name HZ )(resid 51 and name HG1# ) 4.0 2.2 1
assign (resid 4 and name HZ )(resid 53 and name HN ) 4.0 2.2 1
assign (resid 4 and name HZ )(resid 53 and name HA# ) 4.0 2.2 1
assign (resid 5 and name HN )(resid 5 and name HA ) 4.0 2.2 1
assign (resid 5 and name HN )(resid 5 and name HB ) 4.0 2.2 1
assign (resid 5 and name HN )(resid 5 and name HG1# ) 4.0 2.2 1
assign (resid 5 and name HN )(resid 5 and name HG2# ) 4.0 2.2 1
assign (resid 5 and name HN )(resid 54 and name HN ) 4.0 2.2 1
assign (resid 5 and name HN )(resid 55 and name HA ) 4.0 2.2 1
assign (resid 5 and name HN )(resid 55 and name HG2# ) 4.0 2.2 1
assign (resid 5 and name HN )(resid 56 and name HN ) 4.0 2.2 1
assign (resid 5 and name HA )(resid 5 and name HG1# ) 4.0 2.2 1
assign (resid 5 and name HA )(resid 5 and name HG2# ) 4.0 2.2 1
assign (resid 5 and name HA )(resid 6 and name HN ) 4.0 2.2 1
assign (resid 5 and name HB )(resid 6 and name HN ) 4.0 2.2 1
assign (resid 5 and name HB )(resid 54 and name HN ) 4.0 2.2 1
assign (resid 5 and name HB )(resid 54 and name HA ) 4.0 2.2 1
assign (resid 5 and name HB )(resid 56 and name HE# ) 4.0 2.2 1
assign (resid 5 and name HG1# )(resid 6 and name HN ) 4.0 2.2 1
assign (resid 5 and name HG2# )(resid 6 and name HN ) 4.0 2.2 1
assign (resid 5 and name HG1# )(resid 6 and name HD# ) 4.0 2.2 1
assign (resid 5 and name HG2# )(resid 6 and name HD# ) 4.0 2.2 1
assign (resid 5 and name HG1# )(resid 7 and name HN ) 4.0 2.2 1
assign (resid 5 and name HG1# )(resid 9 and name HB# ) 4.0 2.2 1
assign (resid 5 and name HG1# )(resid 9 and name HD1# ) 4.0 2.2 1
assign (resid 5 and name HG1# )(resid 9 and name HD2# ) 4.0 2.2 1
assign (resid 5 and name HG1# )(resid 10 and name HN ) 4.0 2.2 1
assign (resid 5 and name HG1# )(resid 54 and name HN ) 4.0 2.2 1
assign (resid 5 and name HG2# )(resid 54 and name HN ) 4.0 2.2 1
assign (resid 5 and name HG2# )(resid 56 and name HN ) 4.0 2.2 1
assign (resid 5 and name HG2# )(resid 56 and name HD# ) 4.0 2.2 1
assign (resid 5 and name HG2# )(resid 56 and name HE# ) 4.0 2.2 1
assign (resid 6 and name HN )(resid 6 and name HA ) 4.0 2.2 1
assign (resid 6 and name HN )(resid 6 and name HB# ) 4.0 2.2 1
assign (resid 6 and name HN )(resid 7 and name HN ) 4.0 2.2 1
assign (resid 6 and name HA )(resid 51 and name HG1# ) 4.0 2.2 1
assign (resid 6 and name HA )(resid 54 and name HN ) 4.0 2.2 1
assign (resid 6 and name HB2 )(resid 6 and name HD# ) 4.0 2.2 1
assign (resid 6 and name HB1 )(resid 6 and name HD# ) 4.0 2.2 1
assign (resid 6 and name HB2 )(resid 35 and name HD1# ) 4.0 2.2 1
assign (resid 6 and name HB1 )(resid 35 and name HD1# ) 4.0 2.2 1
assign (resid 6 and name HB1 )(resid 35 and name HD2# ) 4.0 2.2 1
assign (resid 6 and name HB2 )(resid 44 and name HB# ) 4.0 2.2 1
assign (resid 6 and name HB1 )(resid 44 and name HB# ) 4.0 2.2 1
assign (resid 6 and name HB2 )(resid 51 and name HG1# ) 4.0 2.2 1
assign (resid 6 and name HB1 )(resid 51 and name HG1# ) 4.0 2.2 1
assign (resid 6 and name HD# )(resid 35 and name HD1# ) 4.0 2.2 1
assign (resid 6 and name HD# )(resid 35 and name HD2# ) 4.0 2.2 1
assign (resid 6 and name HD# )(resid 42 and name HB# ) 4.0 2.2 1
assign (resid 6 and name HD# )(resid 42 and name HG# ) 4.0 2.2 1
assign (resid 6 and name HD# )(resid 44 and name HB# ) 4.0 2.2 1
assign (resid 6 and name HD# )(resid 51 and name HG1# ) 4.0 2.2 1
assign (resid 6 and name HD# )(resid 90 and name HE# ) 4.0 2.2 1
assign (resid 7 and name HN )(resid 7 and name HA# ) 4.0 2.2 1
assign (resid 7 and name HN )(resid 8 and name HN ) 4.0 2.2 1
assign (resid 7 and name HA# )(resid 8 and name HN ) 4.0 2.2 1
assign (resid 8 and name HN )(resid 8 and name HA ) 4.0 2.2 1
assign (resid 8 and name HN )(resid 8 and name HB# ) 3.0 1.2 0.5
assign (resid 8 and name HN )(resid 9 and name HN ) 4.0 2.2 1
assign (resid 8 and name HN )(resid 42 and name HG# ) 4.0 2.2 1
assign (resid 8 and name HN )(resid 108 and name HB# ) 3.0 1.2 0.5
assign (resid 8 and name HN )(resid 108 and name HE1 ) 4.0 2.2 1
assign (resid 8 and name HA )(resid 9 and name HN ) 4.0 2.2 1
assign (resid 8 and name HA )(resid 10 and name HN ) 4.0 2.2 1
assign (resid 8 and name HA )(resid 10 and name HB# ) 4.0 2.2 1
assign (resid 8 and name HA )(resid 108 and name HD1 ) 4.0 2.2 1
assign (resid 8 and name HA )(resid 108 and name HE1 ) 4.0 2.2 1
assign (resid 8 and name HB# )(resid 108 and name HE1 ) 4.0 2.2 1
assign (resid 9 and name HN )(resid 9 and name HA ) 4.0 2.2 1
assign (resid 9 and name HN )(resid 9 and name HB2 ) 4.0 2.2 1
assign (resid 9 and name HN )(resid 9 and name HB1 ) 4.0 2.2 1
assign (resid 9 and name HN )(resid 9 and name HG ) 4.0 2.2 1
assign (resid 9 and name HN )(resid 9 and name HD1# ) 4.0 2.2 1
assign (resid 9 and name HN )(resid 9 and name HD2# ) 4.0 2.2 1
assign (resid 9 and name HN )(resid 10 and name HN ) 3.0 1.2 0.5
assign (resid 9 and name HA )(resid 9 and name HG ) 4.0 2.2 1
assign (resid 9 and name HA )(resid 9 and name HD2# ) 4.0 2.2 1
assign (resid 9 and name HA )(resid 10 and name HN ) 4.0 2.2 1
assign (resid 9 and name HB# )(resid 9 and name HD1# ) 4.0 2.2 1
assign (resid 9 and name HB# )(resid 9 and name HD2# ) 4.0 2.2 1
assign (resid 9 and name HB2 )(resid 10 and name HN ) 4.0 2.2 1
assign (resid 9 and name HB1 )(resid 10 and name HN ) 4.0 2.2 1
assign (resid 9 and name HB# )(resid 10 and name HG# ) 4.0 2.2 1
assign (resid 9 and name HD2# )(resid 10 and name HN ) 4.0 2.2 1
assign (resid 10 and name HN )(resid 10 and name HA ) 4.0 2.2 1
assign (resid 10 and name HN )(resid 10 and name HB2 ) 4.0 2.2 1
assign (resid 10 and name HN )(resid 10 and name HB1 ) 4.0 2.2 1
assign (resid 10 and name HN )(resid 10 and name HG2 ) 4.0 2.2 1
assign (resid 10 and name HN )(resid 10 and name HG1 ) 4.0 2.2 1
assign (resid 10 and name HN )(resid 10 and name HD2 ) 4.0 2.2 1
assign (resid 10 and name HN )(resid 10 and name HD1 ) 4.0 2.2 1
assign (resid 10 and name HA )(resid 10 and name HG# ) 4.0 2.2 1
assign (resid 10 and name HA )(resid 10 and name HD2 ) 4.0 2.2 1
assign (resid 10 and name HA )(resid 10 and name HD1 ) 4.0 2.2 1
assign (resid 10 and name HB2 )(resid 10 and name HD2 ) 4.0 2.2 1
assign (resid 10 and name HB2 )(resid 10 and name HD1 ) 4.0 2.2 1
assign (resid 10 and name HB1 )(resid 10 and name HD2 ) 4.0 2.2 1
assign (resid 10 and name HB1 )(resid 10 and name HD1 ) 4.0 2.2 1
assign (resid 12 and name HA )(resid 12 and name HG# ) 4.0 2.2 1
assign (resid 12 and name HA )(resid 12 and name HD# ) 4.0 2.2 1
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assign (resid 113 and name HA )(resid 113 and name HG2 ) 4.0 2.2 1
assign (resid 113 and name HA )(resid 113 and name HG1 ) 4.0 2.2 1
assign (resid 113 and name HA )(resid 114 and name HN ) 2.5 0.7 0.4
assign (resid 113 and name HB# )(resid 113 and name HD# ) 4.0 2.2 1
assign (resid 113 and name HB# )(resid 114 and name HN ) 3.0 1.2 0.5
assign (resid 113 and name HG2 )(resid 113 and name HE# ) 4.0 2.2 1
assign (resid 113 and name HG1 )(resid 113 and name HE# ) 4.0 2.2 1
assign (resid 113 and name HG2 )(resid 114 and name HN ) 4.0 2.2 1
assign (resid 113 and name HG1 )(resid 114 and name HN ) 4.0 2.2 1
assign (resid 114 and name HN )(resid 114 and name HA ) 2.5 0.7 0.4
assign (resid 114 and name HN )(resid 114 and name HB2 ) 3.0 1.2 0.5
assign (resid 114 and name HN )(resid 114 and name HB1 ) 3.0 1.2 0.5
assign (resid 114 and name HN )(resid 114 and name HG ) 4.0 2.2 1
assign (resid 114 and name HN )(resid 114 and name HD1# ) 4.0 2.2 1
assign (resid 114 and name HN )(resid 114 and name HD2# ) 4.0 2.2 1
assign (resid 114 and name HN )(resid 115 and name HN ) 2.5 0.7 0.4
assign (resid 114 and name HA )(resid 114 and name HG ) 4.0 2.2 1
assign (resid 114 and name HA )(resid 114 and name HD1# ) 4.0 2.2 1
assign (resid 114 and name HA )(resid 114 and name HD2# ) 4.0 2.2 1
assign (resid 114 and name HA )(resid 115 and name HN ) 4.0 2.2 1
assign (resid 114 and name HB2 )(resid 114 and name HD1# ) 4.0 2.2 1
assign (resid 114 and name HB2 )(resid 114 and name HD2# ) 4.0 2.2 1
assign (resid 114 and name HB1 )(resid 114 and name HD1# ) 4.0 2.2 1
assign (resid 114 and name HB1 )(resid 114 and name HD2# ) 4.0 2.2 1
assign (resid 114 and name HB2 )(resid 115 and name HN ) 3.0 1.2 0.5
assign (resid 114 and name HB1 )(resid 115 and name HN ) 3.0 1.2 0.5
assign (resid 114 and name HG )(resid 115 and name HN ) 4.0 2.2 1
assign (resid 114 and name HD1# )(resid 115 and name HN ) 4.0 2.2 1
assign (resid 114 and name HD2# )(resid 115 and name HN ) 4.0 2.2 1
assign (resid 114 and name HD2# )(resid 115 and name HA ) 4.0 2.2 1
assign (resid 114 and name HD1# )(resid 116 and name HN ) 4.0 2.2 1
assign (resid 115 and name HN )(resid 115 and name HA ) 3.0 1.2 0.5
assign (resid 115 and name HN )(resid 115 and name HB# ) 2.5 0.7 0.4
assign (resid 115 and name HN )(resid 115 and name HG2 ) 4.0 2.2 1
assign (resid 115 and name HN )(resid 115 and name HG1 ) 4.0 2.2 1
assign (resid 115 and name HN )(resid 116 and name HN ) 3.0 1.2 0.5
assign (resid 115 and name HA )(resid 115 and name HG2 ) 4.0 2.2 1
assign (resid 115 and name HA )(resid 115 and name HG1 ) 4.0 2.2 1
assign (resid 115 and name HA )(resid 116 and name HN ) 3.0 1.2 0.5
assign (resid 115 and name HB# )(resid 116 and name HN ) 3.0 1.2 0.5
assign (resid 116 and name HN )(resid 116 and name HA ) 3.0 1.2 0.5
!  -- Angle constraint file built by HYPER -- X-Plor | Cns format 
!  -- from data in file  ER111.hyp
!  -- Version: 3.2 2002/04/18[Linux] (Compiled on: troberto.quifis.uv.es) 
assign (segid    A and resid   1 and name HT1 ) (segid    A and resid   1 and name N   )
       (segid    A and resid   1 and name CA  ) (segid    A and resid   1 and name C   )  1   -125.00     55.00   2 
assign (segid    A and resid   1 and name N   ) (segid    A and resid   1 and name CA  )
       (segid    A and resid   1 and name C   ) (segid    A and resid   2 and name N   )  1    120.00     60.00   2 
assign (segid    A and resid   1 and name C   ) (segid    A and resid   2 and name N   )
       (segid    A and resid   2 and name CA  ) (segid    A and resid   2 and name C   )  1   -125.00     55.00   2 
assign (segid    A and resid   2 and name N   ) (segid    A and resid   2 and name CA  )
       (segid    A and resid   2 and name C   ) (segid    A and resid   3 and name N   )  1    120.00     60.00   2 
assign (segid    A and resid   2 and name C   ) (segid    A and resid   3 and name N   )
       (segid    A and resid   3 and name CA  ) (segid    A and resid   3 and name C   )  1   -120.00     50.00   2 
assign (segid    A and resid   3 and name N   ) (segid    A and resid   3 and name CA  )
       (segid    A and resid   3 and name C   ) (segid    A and resid   4 and name N   )  1    120.00     60.00   2 
assign (segid    A and resid   3 and name C   ) (segid    A and resid   4 and name N   )
       (segid    A and resid   4 and name CA  ) (segid    A and resid   4 and name C   )  1   -120.00     45.00   2 
assign (segid    A and resid   4 and name N   ) (segid    A and resid   4 and name CA  )
       (segid    A and resid   4 and name C   ) (segid    A and resid   5 and name N   )  1    120.00     60.00   2 
assign (segid    A and resid   4 and name C   ) (segid    A and resid   5 and name N   )
       (segid    A and resid   5 and name CA  ) (segid    A and resid   5 and name C   )  1   -120.00     45.00   2 
assign (segid    A and resid   5 and name N   ) (segid    A and resid   5 and name CA  )
       (segid    A and resid   5 and name C   ) (segid    A and resid   6 and name N   )  1    120.00     60.00   2 
assign (segid    A and resid   7 and name C   ) (segid    A and resid   8 and name N   )
       (segid    A and resid   8 and name CA  ) (segid    A and resid   8 and name C   )  1     60.00    135.00   2 
assign (segid    A and resid   9 and name C   ) (segid    A and resid  10 and name N   )
       (segid    A and resid  10 and name CA  ) (segid    A and resid  10 and name C   )  1     60.00    140.00   2 
assign (segid    A and resid  14 and name C   ) (segid    A and resid  15 and name N   )
       (segid    A and resid  15 and name CA  ) (segid    A and resid  15 and name C   )  1    -40.00    140.00   2 
assign (segid    A and resid  15 and name C   ) (segid    A and resid  16 and name N   )
       (segid    A and resid  16 and name CA  ) (segid    A and resid  16 and name C   )  1     60.00    135.00   2 
assign (segid    A and resid  16 and name C   ) (segid    A and resid  17 and name N   )
       (segid    A and resid  17 and name CA  ) (segid    A and resid  17 and name C   )  1     60.00    130.00   2 
assign (segid    A and resid  21 and name C   ) (segid    A and resid  22 and name N   )
       (segid    A and resid  22 and name CA  ) (segid    A and resid  22 and name C   )  1    -35.00    145.00   2 
assign (segid    A and resid  24 and name C   ) (segid    A and resid  25 and name N   )
       (segid    A and resid  25 and name CA  ) (segid    A and resid  25 and name C   )  1    -40.00    125.00   2 
assign (segid    A and resid  26 and name C   ) (segid    A and resid  27 and name N   )
       (segid    A and resid  27 and name CA  ) (segid    A and resid  27 and name C   )  1    -35.00    145.00   2 
assign (segid    A and resid  27 and name C   ) (segid    A and resid  28 and name N   )
       (segid    A and resid  28 and name CA  ) (segid    A and resid  28 and name C   )  1    -35.00    145.00   2 
assign (segid    A and resid  28 and name C   ) (segid    A and resid  29 and name N   )
       (segid    A and resid  29 and name CA  ) (segid    A and resid  29 and name C   )  1   -120.00     50.00   2 
assign (segid    A and resid  29 and name N   ) (segid    A and resid  29 and name CA  )
       (segid    A and resid  29 and name C   ) (segid    A and resid  30 and name N   )  1    120.00     60.00   2 
assign (segid    A and resid  29 and name C   ) (segid    A and resid  30 and name N   )
       (segid    A and resid  30 and name CA  ) (segid    A and resid  30 and name C   )  1   -120.00     45.00   2 
assign (segid    A and resid  30 and name N   ) (segid    A and resid  30 and name CA  )
       (segid    A and resid  30 and name C   ) (segid    A and resid  31 and name N   )  1    120.00     60.00   2 
assign (segid    A and resid  30 and name C   ) (segid    A and resid  31 and name N   )
       (segid    A and resid  31 and name CA  ) (segid    A and resid  31 and name C   )  1   -125.00     55.00   2 
assign (segid    A and resid  31 and name N   ) (segid    A and resid  31 and name CA  )
       (segid    A and resid  31 and name C   ) (segid    A and resid  32 and name N   )  1    120.00     60.00   2 
assign (segid    A and resid  32 and name C   ) (segid    A and resid  33 and name N   )
       (segid    A and resid  33 and name CA  ) (segid    A and resid  33 and name C   )  1   -125.00     55.00   2 
assign (segid    A and resid  33 and name N   ) (segid    A and resid  33 and name CA  )
       (segid    A and resid  33 and name C   ) (segid    A and resid  34 and name N   )  1    120.00     60.00   2 
assign (segid    A and resid  33 and name C   ) (segid    A and resid  34 and name N   )
       (segid    A and resid  34 and name CA  ) (segid    A and resid  34 and name C   )  1   -125.00     55.00   2 
assign (segid    A and resid  34 and name N   ) (segid    A and resid  34 and name CA  )
       (segid    A and resid  34 and name C   ) (segid    A and resid  35 and name N   )  1    120.00     60.00   2 
assign (segid    A and resid  34 and name C   ) (segid    A and resid  35 and name N   )
       (segid    A and resid  35 and name CA  ) (segid    A and resid  35 and name C   )  1   -120.00     50.00   2 
assign (segid    A and resid  35 and name N   ) (segid    A and resid  35 and name CA  )
       (segid    A and resid  35 and name C   ) (segid    A and resid  36 and name N   )  1    120.00     60.00   2 
assign (segid    A and resid  35 and name C   ) (segid    A and resid  36 and name N   )
       (segid    A and resid  36 and name CA  ) (segid    A and resid  36 and name C   )  1   -120.00     45.00   2 
assign (segid    A and resid  36 and name N   ) (segid    A and resid  36 and name CA  )
       (segid    A and resid  36 and name C   ) (segid    A and resid  37 and name N   )  1    120.00     60.00   2 
assign (segid    A and resid  36 and name C   ) (segid    A and resid  37 and name N   )
       (segid    A and resid  37 and name CA  ) (segid    A and resid  37 and name C   )  1   -122.50     52.50   2 
assign (segid    A and resid  37 and name N   ) (segid    A and resid  37 and name CA  )
       (segid    A and resid  37 and name C   ) (segid    A and resid  38 and name N   )  1    120.00     60.00   2 
assign (segid    A and resid  37 and name C   ) (segid    A and resid  38 and name N   )
       (segid    A and resid  38 and name CA  ) (segid    A and resid  38 and name C   )  1    -42.50    122.50   2 
assign (segid    A and resid  40 and name C   ) (segid    A and resid  41 and name N   )
       (segid    A and resid  41 and name CA  ) (segid    A and resid  41 and name C   )  1     60.00    140.00   2 
assign (segid    A and resid  43 and name C   ) (segid    A and resid  44 and name N   )
       (segid    A and resid  44 and name CA  ) (segid    A and resid  44 and name C   )  1   -122.50     52.50   2 
assign (segid    A and resid  44 and name N   ) (segid    A and resid  44 and name CA  )
       (segid    A and resid  44 and name C   ) (segid    A and resid  45 and name N   )  1    120.00     60.00   2 
assign (segid    A and resid  44 and name C   ) (segid    A and resid  45 and name N   )
       (segid    A and resid  45 and name CA  ) (segid    A and resid  45 and name C   )  1   -120.00     50.00   2 
assign (segid    A and resid  45 and name N   ) (segid    A and resid  45 and name CA  )
       (segid    A and resid  45 and name C   ) (segid    A and resid  46 and name N   )  1    120.00     60.00   2 
assign (segid    A and resid  48 and name C   ) (segid    A and resid  49 and name N   )
       (segid    A and resid  49 and name CA  ) (segid    A and resid  49 and name C   )  1   -125.00     55.00   2 
assign (segid    A and resid  49 and name N   ) (segid    A and resid  49 and name CA  )
       (segid    A and resid  49 and name C   ) (segid    A and resid  50 and name N   )  1    120.00     60.00   2 
assign (segid    A and resid  49 and name C   ) (segid    A and resid  50 and name N   )
       (segid    A and resid  50 and name CA  ) (segid    A and resid  50 and name C   )  1   -125.00     55.00   2 
assign (segid    A and resid  50 and name N   ) (segid    A and resid  50 and name CA  )
       (segid    A and resid  50 and name C   ) (segid    A and resid  51 and name N   )  1    120.00     60.00   2 
assign (segid    A and resid  50 and name C   ) (segid    A and resid  51 and name N   )
       (segid    A and resid  51 and name CA  ) (segid    A and resid  51 and name C   )  1   -120.00     45.00   2 
assign (segid    A and resid  51 and name N   ) (segid    A and resid  51 and name CA  )
       (segid    A and resid  51 and name C   ) (segid    A and resid  52 and name N   )  1    120.00     60.00   2 
assign (segid    A and resid  51 and name C   ) (segid    A and resid  52 and name N   )
       (segid    A and resid  52 and name CA  ) (segid    A and resid  52 and name C   )  1   -122.50     52.50   2 
assign (segid    A and resid  52 and name N   ) (segid    A and resid  52 and name CA  )
       (segid    A and resid  52 and name C   ) (segid    A and resid  53 and name N   )  1    120.00     60.00   2 
assign (segid    A and resid  53 and name C   ) (segid    A and resid  54 and name N   )
       (segid    A and resid  54 and name CA  ) (segid    A and resid  54 and name C   )  1   -125.00     55.00   2 
assign (segid    A and resid  54 and name N   ) (segid    A and resid  54 and name CA  )
       (segid    A and resid  54 and name C   ) (segid    A and resid  55 and name N   )  1    120.00     60.00   2 
assign (segid    A and resid  54 and name C   ) (segid    A and resid  55 and name N   )
       (segid    A and resid  55 and name CA  ) (segid    A and resid  55 and name C   )  1   -125.00     55.00   2 
assign (segid    A and resid  55 and name N   ) (segid    A and resid  55 and name CA  )
       (segid    A and resid  55 and name C   ) (segid    A and resid  56 and name N   )  1    120.00     60.00   2 
assign (segid    A and resid  55 and name C   ) (segid    A and resid  56 and name N   )
       (segid    A and resid  56 and name CA  ) (segid    A and resid  56 and name C   )  1   -120.00     40.00   2 
assign (segid    A and resid  56 and name N   ) (segid    A and resid  56 and name CA  )
       (segid    A and resid  56 and name C   ) (segid    A and resid  57 and name N   )  1    120.00     60.00   2 
assign (segid    A and resid  56 and name C   ) (segid    A and resid  57 and name N   )
       (segid    A and resid  57 and name CA  ) (segid    A and resid  57 and name C   )  1   -120.00     45.00   2 
assign (segid    A and resid  57 and name N   ) (segid    A and resid  57 and name CA  )
       (segid    A and resid  57 and name C   ) (segid    A and resid  58 and name N   )  1    120.00     60.00   2 
assign (segid    A and resid  58 and name C   ) (segid    A and resid  59 and name N   )
       (segid    A and resid  59 and name CA  ) (segid    A and resid  59 and name C   )  1     60.00    110.00   2 
assign (segid    A and resid  59 and name C   ) (segid    A and resid  60 and name N   )
       (segid    A and resid  60 and name CA  ) (segid    A and resid  60 and name C   )  1    -47.50     17.50   2 
assign (segid    A and resid  60 and name N   ) (segid    A and resid  60 and name CA  )
       (segid    A and resid  60 and name C   ) (segid    A and resid  61 and name N   )  1    -35.00     40.00   2 
assign (segid    A and resid  60 and name C   ) (segid    A and resid  61 and name N   )
       (segid    A and resid  61 and name CA  ) (segid    A and resid  61 and name C   )  1    -55.00     15.00   2 
assign (segid    A and resid  61 and name N   ) (segid    A and resid  61 and name CA  )
       (segid    A and resid  61 and name C   ) (segid    A and resid  62 and name N   )  1    -35.00     40.00   2 
assign (segid    A and resid  61 and name C   ) (segid    A and resid  62 and name N   )
       (segid    A and resid  62 and name CA  ) (segid    A and resid  62 and name C   )  1    -42.50     12.50   2 
assign (segid    A and resid  62 and name N   ) (segid    A and resid  62 and name CA  )
       (segid    A and resid  62 and name C   ) (segid    A and resid  63 and name N   )  1    -35.00     40.00   2 
assign (segid    A and resid  62 and name C   ) (segid    A and resid  63 and name N   )
       (segid    A and resid  63 and name CA  ) (segid    A and resid  63 and name C   )  1    -47.50     17.50   2 
assign (segid    A and resid  63 and name N   ) (segid    A and resid  63 and name CA  )
       (segid    A and resid  63 and name C   ) (segid    A and resid  64 and name N   )  1    -35.00     40.00   2 
assign (segid    A and resid  63 and name C   ) (segid    A and resid  64 and name N   )
       (segid    A and resid  64 and name CA  ) (segid    A and resid  64 and name C   )  1    -47.50     17.50   2 
assign (segid    A and resid  64 and name N   ) (segid    A and resid  64 and name CA  )
       (segid    A and resid  64 and name C   ) (segid    A and resid  65 and name N   )  1    -35.00     40.00   2 
assign (segid    A and resid  64 and name C   ) (segid    A and resid  65 and name N   )
       (segid    A and resid  65 and name CA  ) (segid    A and resid  65 and name C   )  1    -60.00     15.00   2 
assign (segid    A and resid  65 and name N   ) (segid    A and resid  65 and name CA  )
       (segid    A and resid  65 and name C   ) (segid    A and resid  66 and name N   )  1    -35.00     40.00   2 
assign (segid    A and resid  65 and name C   ) (segid    A and resid  66 and name N   )
       (segid    A and resid  66 and name CA  ) (segid    A and resid  66 and name C   )  1    -62.50     12.50   2 
assign (segid    A and resid  66 and name N   ) (segid    A and resid  66 and name CA  )
       (segid    A and resid  66 and name C   ) (segid    A and resid  67 and name N   )  1    -35.00     40.00   2 
assign (segid    A and resid  66 and name C   ) (segid    A and resid  67 and name N   )
       (segid    A and resid  67 and name CA  ) (segid    A and resid  67 and name C   )  1    -65.00     35.00   2 
assign (segid    A and resid  67 and name N   ) (segid    A and resid  67 and name CA  )
       (segid    A and resid  67 and name C   ) (segid    A and resid  68 and name N   )  1    -35.00     40.00   2 
assign (segid    A and resid  67 and name C   ) (segid    A and resid  68 and name N   )
       (segid    A and resid  68 and name CA  ) (segid    A and resid  68 and name C   )  1    -52.50     17.50   2 
assign (segid    A and resid  68 and name N   ) (segid    A and resid  68 and name CA  )
       (segid    A and resid  68 and name C   ) (segid    A and resid  69 and name N   )  1    -35.00     40.00   2 
assign (segid    A and resid  68 and name C   ) (segid    A and resid  69 and name N   )
       (segid    A and resid  69 and name CA  ) (segid    A and resid  69 and name C   )  1    -72.50     12.50   2 
assign (segid    A and resid  69 and name N   ) (segid    A and resid  69 and name CA  )
       (segid    A and resid  69 and name C   ) (segid    A and resid  70 and name N   )  1    -35.00     40.00   2 
assign (segid    A and resid  69 and name C   ) (segid    A and resid  70 and name N   )
       (segid    A and resid  70 and name CA  ) (segid    A and resid  70 and name C   )  1    -72.50     12.50   2 
assign (segid    A and resid  70 and name N   ) (segid    A and resid  70 and name CA  )
       (segid    A and resid  70 and name C   ) (segid    A and resid  71 and name N   )  1    -35.00     40.00   2 
assign (segid    A and resid  70 and name C   ) (segid    A and resid  71 and name N   )
       (segid    A and resid  71 and name CA  ) (segid    A and resid  71 and name C   )  1    -40.00    135.00   2 
assign (segid    A and resid  75 and name C   ) (segid    A and resid  76 and name N   )
       (segid    A and resid  76 and name CA  ) (segid    A and resid  76 and name C   )  1    -40.00    125.00   2 
assign (segid    A and resid  77 and name C   ) (segid    A and resid  78 and name N   )
       (segid    A and resid  78 and name CA  ) (segid    A and resid  78 and name C   )  1    -40.00    140.00   2 
assign (segid    A and resid  78 and name C   ) (segid    A and resid  79 and name N   )
       (segid    A and resid  79 and name CA  ) (segid    A and resid  79 and name C   )  1    -42.50    122.50   2 
assign (segid    A and resid  79 and name C   ) (segid    A and resid  80 and name N   )
       (segid    A and resid  80 and name CA  ) (segid    A and resid  80 and name C   )  1    -35.00    145.00   2 
assign (segid    A and resid  80 and name C   ) (segid    A and resid  81 and name N   )
       (segid    A and resid  81 and name CA  ) (segid    A and resid  81 and name C   )  1    -42.50    117.50   2 
assign (segid    A and resid  82 and name C   ) (segid    A and resid  83 and name N   )
       (segid    A and resid  83 and name CA  ) (segid    A and resid  83 and name C   )  1    -35.00    145.00   2 
assign (segid    A and resid  84 and name C   ) (segid    A and resid  85 and name N   )
       (segid    A and resid  85 and name CA  ) (segid    A and resid  85 and name C   )  1    -40.00    135.00   2 
assign (segid    A and resid  86 and name C   ) (segid    A and resid  87 and name N   )
       (segid    A and resid  87 and name CA  ) (segid    A and resid  87 and name C   )  1     60.00    125.00   2 
assign (segid    A and resid  87 and name C   ) (segid    A and resid  88 and name N   )
       (segid    A and resid  88 and name CA  ) (segid    A and resid  88 and name C   )  1   -122.50     52.50   2 
assign (segid    A and resid  88 and name N   ) (segid    A and resid  88 and name CA  )
       (segid    A and resid  88 and name C   ) (segid    A and resid  89 and name N   )  1    120.00     60.00   2 
assign (segid    A and resid  88 and name C   ) (segid    A and resid  89 and name N   )
       (segid    A and resid  89 and name CA  ) (segid    A and resid  89 and name C   )  1   -125.00     55.00   2 
assign (segid    A and resid  89 and name N   ) (segid    A and resid  89 and name CA  )
       (segid    A and resid  89 and name C   ) (segid    A and resid  90 and name N   )  1    120.00     60.00   2 
assign (segid    A and resid  89 and name C   ) (segid    A and resid  90 and name N   )
       (segid    A and resid  90 and name CA  ) (segid    A and resid  90 and name C   )  1   -120.00     50.00   2 
assign (segid    A and resid  90 and name N   ) (segid    A and resid  90 and name CA  )
       (segid    A and resid  90 and name C   ) (segid    A and resid  91 and name N   )  1    120.00     60.00   2 
assign (segid    A and resid  90 and name C   ) (segid    A and resid  91 and name N   )
       (segid    A and resid  91 and name CA  ) (segid    A and resid  91 and name C   )  1    -37.50    142.50   2 
assign (segid    A and resid  91 and name C   ) (segid    A and resid  92 and name N   )
       (segid    A and resid  92 and name CA  ) (segid    A and resid  92 and name C   )  1    -40.00    130.00   2 
assign (segid    A and resid  92 and name C   ) (segid    A and resid  93 and name N   )
       (segid    A and resid  93 and name CA  ) (segid    A and resid  93 and name C   )  1     60.00    135.00   2 
assign (segid    A and resid  93 and name C   ) (segid    A and resid  94 and name N   )
       (segid    A and resid  94 and name CA  ) (segid    A and resid  94 and name C   )  1    -42.50    117.50   2 
assign (segid    A and resid  94 and name C   ) (segid    A and resid  95 and name N   )
       (segid    A and resid  95 and name CA  ) (segid    A and resid  95 and name C   )  1    -40.00    130.00   2 
assign (segid    A and resid  96 and name C   ) (segid    A and resid  97 and name N   )
       (segid    A and resid  97 and name CA  ) (segid    A and resid  97 and name C   )  1    -40.00    130.00   2 
assign (segid    A and resid  97 and name C   ) (segid    A and resid  98 and name N   )
       (segid    A and resid  98 and name CA  ) (segid    A and resid  98 and name C   )  1     60.00    120.00   2 
assign (segid    A and resid 100 and name C   ) (segid    A and resid 101 and name N   )
       (segid    A and resid 101 and name CA  ) (segid    A and resid 101 and name C   )  1   -125.00     55.00   2 
assign (segid    A and resid 101 and name N   ) (segid    A and resid 101 and name CA  )
       (segid    A and resid 101 and name C   ) (segid    A and resid 102 and name N   )  1    120.00     60.00   2 
assign (segid    A and resid 101 and name C   ) (segid    A and resid 102 and name N   )
       (segid    A and resid 102 and name CA  ) (segid    A and resid 102 and name C   )  1   -125.00     55.00   2 
assign (segid    A and resid 102 and name N   ) (segid    A and resid 102 and name CA  )
       (segid    A and resid 102 and name C   ) (segid    A and resid 103 and name N   )  1    120.00     60.00   2 
assign (segid    A and resid 102 and name C   ) (segid    A and resid 103 and name N   )
       (segid    A and resid 103 and name CA  ) (segid    A and resid 103 and name C   )  1   -120.00     50.00   2 
assign (segid    A and resid 103 and name N   ) (segid    A and resid 103 and name CA  )
       (segid    A and resid 103 and name C   ) (segid    A and resid 104 and name N   )  1    120.00     60.00   2 
assign (segid    A and resid 103 and name C   ) (segid    A and resid 104 and name N   )
       (segid    A and resid 104 and name CA  ) (segid    A and resid 104 and name C   )  1     60.00    125.00   2 
assign (segid    A and resid 104 and name C   ) (segid    A and resid 105 and name N   )
       (segid    A and resid 105 and name CA  ) (segid    A and resid 105 and name C   )  1     60.00    130.00   2 
assign (segid    A and resid 106 and name C   ) (segid    A and resid 107 and name N   )
       (segid    A and resid 107 and name CA  ) (segid    A and resid 107 and name C   )  1    -40.00    130.00   2 
!Manual Input
!
! ACO file produced by PDBStat
! Version:  3.32 *STABLE* 2004-01-23 (troberto.quifis.uv.es)
!
 dihedral
   assign (resid   1 and name C   )   (resid   2 and name N   )
          (resid   2 and name CA  )   (resid   2 and name C   )   1.0   -115.92    40.00   2 
   assign (resid   2 and name N   )   (resid   2 and name CA  )
          (resid   2 and name C   )   (resid   3 and name N   )   1.0    144.90    50.00   2 
   assign (resid   2 and name C   )   (resid   3 and name N   )
          (resid   3 and name CA  )   (resid   3 and name C   )   1.0   -136.87    40.00   2 
   assign (resid   3 and name N   )   (resid   3 and name CA  )
          (resid   3 and name C   )   (resid   4 and name N   )   1.0    136.38    50.00   2 
   assign (resid   3 and name C   )   (resid   4 and name N   )
          (resid   4 and name CA  )   (resid   4 and name C   )   1.0   -115.11    40.00   2 
   assign (resid   4 and name N   )   (resid   4 and name CA  )
          (resid   4 and name C   )   (resid   5 and name N   )   1.0    135.45    50.00   2 
   assign (resid   4 and name C   )   (resid   5 and name N   )
          (resid   5 and name CA  )   (resid   5 and name C   )   1.0   -131.97    40.00   2 
   assign (resid   5 and name N   )   (resid   5 and name CA  )
          (resid   5 and name C   )   (resid   6 and name N   )   1.0    152.56    50.00   2 
   assign (resid   8 and name C   )   (resid   9 and name N   )
          (resid   9 and name CA  )   (resid   9 and name C   )   1.0    -75.44    40.00   2 
   assign (resid   9 and name N   )   (resid   9 and name CA  )
          (resid   9 and name C   )   (resid  10 and name N   )   1.0    -34.20    50.00   2 
   assign (resid   9 and name C   )   (resid  10 and name N   )
          (resid  10 and name CA  )   (resid  10 and name C   )   1.0    -74.58    40.00   2 
   assign (resid  10 and name N   )   (resid  10 and name CA  )
          (resid  10 and name C   )   (resid  11 and name N   )   1.0    -34.02    50.00   2 
   assign (resid  16 and name C   )   (resid  17 and name N   )
          (resid  17 and name CA  )   (resid  17 and name C   )   1.0    -65.01    40.00   2 
   assign (resid  17 and name N   )   (resid  17 and name CA  )
          (resid  17 and name C   )   (resid  18 and name N   )   1.0    -41.08    50.00   2 
   assign (resid  17 and name C   )   (resid  18 and name N   )
          (resid  18 and name CA  )   (resid  18 and name C   )   1.0    -70.14    40.00   2 
   assign (resid  18 and name N   )   (resid  18 and name CA  )
          (resid  18 and name C   )   (resid  19 and name N   )   1.0    -34.86    50.00   2 
   assign (resid  22 and name C   )   (resid  23 and name N   )
          (resid  23 and name CA  )   (resid  23 and name C   )   1.0   -120.65    40.00   2 
   assign (resid  23 and name N   )   (resid  23 and name CA  )
          (resid  23 and name C   )   (resid  24 and name N   )   1.0    127.45    50.00   2 
   assign (resid  26 and name C   )   (resid  27 and name N   )
          (resid  27 and name CA  )   (resid  27 and name C   )   1.0    -98.92    40.00   2 
   assign (resid  27 and name N   )   (resid  27 and name CA  )
          (resid  27 and name C   )   (resid  28 and name N   )   1.0    144.68    50.00   2 
   assign (resid  27 and name C   )   (resid  28 and name N   )
          (resid  28 and name CA  )   (resid  28 and name C   )   1.0   -121.48    40.00   2 
   assign (resid  28 and name N   )   (resid  28 and name CA  )
          (resid  28 and name C   )   (resid  29 and name N   )   1.0    132.17    50.00   2 
   assign (resid  28 and name C   )   (resid  29 and name N   )
          (resid  29 and name CA  )   (resid  29 and name C   )   1.0   -110.12    40.00   2 
   assign (resid  29 and name N   )   (resid  29 and name CA  )
          (resid  29 and name C   )   (resid  30 and name N   )   1.0    135.08    50.00   2 
   assign (resid  29 and name C   )   (resid  30 and name N   )
          (resid  30 and name CA  )   (resid  30 and name C   )   1.0   -127.81    40.00   2 
   assign (resid  30 and name N   )   (resid  30 and name CA  )
          (resid  30 and name C   )   (resid  31 and name N   )   1.0    141.42    50.00   2 
   assign (resid  33 and name C   )   (resid  34 and name N   )
          (resid  34 and name CA  )   (resid  34 and name C   )   1.0   -137.94    40.00   2 
   assign (resid  34 and name N   )   (resid  34 and name CA  )
          (resid  34 and name C   )   (resid  35 and name N   )   1.0    154.17    50.00   2 
   assign (resid  34 and name C   )   (resid  35 and name N   )
          (resid  35 and name CA  )   (resid  35 and name C   )   1.0   -135.51    40.00   2 
   assign (resid  35 and name N   )   (resid  35 and name CA  )
          (resid  35 and name C   )   (resid  36 and name N   )   1.0    147.50    50.00   2 
   assign (resid  35 and name C   )   (resid  36 and name N   )
          (resid  36 and name CA  )   (resid  36 and name C   )   1.0   -113.65    40.00   2 
   assign (resid  36 and name N   )   (resid  36 and name CA  )
          (resid  36 and name C   )   (resid  37 and name N   )   1.0    140.82    50.00   2 
   assign (resid  43 and name C   )   (resid  44 and name N   )
          (resid  44 and name CA  )   (resid  44 and name C   )   1.0   -113.73    40.00   2 
   assign (resid  44 and name N   )   (resid  44 and name CA  )
          (resid  44 and name C   )   (resid  45 and name N   )   1.0    142.53    50.00   2 
   assign (resid  44 and name C   )   (resid  45 and name N   )
          (resid  45 and name CA  )   (resid  45 and name C   )   1.0   -132.49    40.00   2 
   assign (resid  45 and name N   )   (resid  45 and name CA  )
          (resid  45 and name C   )   (resid  46 and name N   )   1.0    148.19    50.00   2 
   assign (resid  49 and name C   )   (resid  50 and name N   )
          (resid  50 and name CA  )   (resid  50 and name C   )   1.0   -127.82    40.00   2 
   assign (resid  50 and name N   )   (resid  50 and name CA  )
          (resid  50 and name C   )   (resid  51 and name N   )   1.0    143.35    50.00   2 
   assign (resid  50 and name C   )   (resid  51 and name N   )
          (resid  51 and name CA  )   (resid  51 and name C   )   1.0   -124.73    40.00   2 
   assign (resid  51 and name N   )   (resid  51 and name CA  )
          (resid  51 and name C   )   (resid  52 and name N   )   1.0    129.61    50.00   2 
   assign (resid  53 and name C   )   (resid  54 and name N   )
          (resid  54 and name CA  )   (resid  54 and name C   )   1.0   -138.66    40.00   2 
   assign (resid  54 and name N   )   (resid  54 and name CA  )
          (resid  54 and name C   )   (resid  55 and name N   )   1.0    152.50    50.00   2 
   assign (resid  54 and name C   )   (resid  55 and name N   )
          (resid  55 and name CA  )   (resid  55 and name C   )   1.0   -114.11    40.00   2 
   assign (resid  55 and name N   )   (resid  55 and name CA  )
          (resid  55 and name C   )   (resid  56 and name N   )   1.0    134.49    50.00   2 
   assign (resid  55 and name C   )   (resid  56 and name N   )
          (resid  56 and name CA  )   (resid  56 and name C   )   1.0   -121.74    40.00   2 
   assign (resid  56 and name N   )   (resid  56 and name CA  )
          (resid  56 and name C   )   (resid  57 and name N   )   1.0    146.36    50.00   2 
   assign (resid  56 and name C   )   (resid  57 and name N   )
          (resid  57 and name CA  )   (resid  57 and name C   )   1.0   -107.92    40.00   2 
   assign (resid  57 and name N   )   (resid  57 and name CA  )
          (resid  57 and name C   )   (resid  58 and name N   )   1.0    127.78    50.00   2 
   assign (resid  57 and name C   )   (resid  58 and name N   )
          (resid  58 and name CA  )   (resid  58 and name C   )   1.0   -140.10    40.00   2 
   assign (resid  58 and name N   )   (resid  58 and name CA  )
          (resid  58 and name C   )   (resid  59 and name N   )   1.0    158.42    50.00   2 
   assign (resid  58 and name C   )   (resid  59 and name N   )
          (resid  59 and name CA  )   (resid  59 and name C   )   1.0    -86.88    40.00   2 
   assign (resid  59 and name N   )   (resid  59 and name CA  )
          (resid  59 and name C   )   (resid  60 and name N   )   1.0    154.87    50.00   2 
   assign (resid  59 and name C   )   (resid  60 and name N   )
          (resid  60 and name CA  )   (resid  60 and name C   )   1.0    -57.34    40.00   2 
   assign (resid  60 and name N   )   (resid  60 and name CA  )
          (resid  60 and name C   )   (resid  61 and name N   )   1.0    -37.53    50.00   2 
   assign (resid  60 and name C   )   (resid  61 and name N   )
          (resid  61 and name CA  )   (resid  61 and name C   )   1.0    -65.45    40.00   2 
   assign (resid  61 and name N   )   (resid  61 and name CA  )
          (resid  61 and name C   )   (resid  62 and name N   )   1.0    -38.42    50.00   2 
   assign (resid  61 and name C   )   (resid  62 and name N   )
          (resid  62 and name CA  )   (resid  62 and name C   )   1.0    -68.79    40.00   2 
   assign (resid  62 and name N   )   (resid  62 and name CA  )
          (resid  62 and name C   )   (resid  63 and name N   )   1.0    -40.51    50.00   2 
   assign (resid  62 and name C   )   (resid  63 and name N   )
          (resid  63 and name CA  )   (resid  63 and name C   )   1.0    -62.51    40.00   2 
   assign (resid  63 and name N   )   (resid  63 and name CA  )
          (resid  63 and name C   )   (resid  64 and name N   )   1.0    -44.34    50.00   2 
   assign (resid  63 and name C   )   (resid  64 and name N   )
          (resid  64 and name CA  )   (resid  64 and name C   )   1.0    -63.13    40.00   2 
   assign (resid  64 and name N   )   (resid  64 and name CA  )
          (resid  64 and name C   )   (resid  65 and name N   )   1.0    -39.38    50.00   2 
   assign (resid  64 and name C   )   (resid  65 and name N   )
          (resid  65 and name CA  )   (resid  65 and name C   )   1.0    -65.97    40.00   2 
   assign (resid  65 and name N   )   (resid  65 and name CA  )
          (resid  65 and name C   )   (resid  66 and name N   )   1.0    -42.16    50.00   2 
   assign (resid  65 and name C   )   (resid  66 and name N   )
          (resid  66 and name CA  )   (resid  66 and name C   )   1.0    -63.84    40.00   2 
   assign (resid  66 and name N   )   (resid  66 and name CA  )
          (resid  66 and name C   )   (resid  67 and name N   )   1.0    -41.32    50.00   2 
   assign (resid  66 and name C   )   (resid  67 and name N   )
          (resid  67 and name CA  )   (resid  67 and name C   )   1.0    -62.93    40.00   2 
   assign (resid  67 and name N   )   (resid  67 and name CA  )
          (resid  67 and name C   )   (resid  68 and name N   )   1.0    -38.89    50.00   2 
   assign (resid  67 and name C   )   (resid  68 and name N   )
          (resid  68 and name CA  )   (resid  68 and name C   )   1.0    -67.40    40.00   2 
   assign (resid  68 and name N   )   (resid  68 and name CA  )
          (resid  68 and name C   )   (resid  69 and name N   )   1.0    -38.97    50.00   2 
   assign (resid  68 and name C   )   (resid  69 and name N   )
          (resid  69 and name CA  )   (resid  69 and name C   )   1.0    -80.06    40.00   2 
   assign (resid  69 and name N   )   (resid  69 and name CA  )
          (resid  69 and name C   )   (resid  70 and name N   )   1.0    -33.25    50.00   2 
   assign (resid  69 and name C   )   (resid  70 and name N   )
          (resid  70 and name CA  )   (resid  70 and name C   )   1.0    -79.22    40.00   2 
   assign (resid  70 and name N   )   (resid  70 and name CA  )
          (resid  70 and name C   )   (resid  71 and name N   )   1.0    -28.95    50.00   2 
   assign (resid  76 and name C   )   (resid  77 and name N   )
          (resid  77 and name CA  )   (resid  77 and name C   )   1.0   -126.81    40.00   2 
   assign (resid  77 and name N   )   (resid  77 and name CA  )
          (resid  77 and name C   )   (resid  78 and name N   )   1.0    136.89    50.00   2 
   assign (resid  77 and name C   )   (resid  78 and name N   )
          (resid  78 and name CA  )   (resid  78 and name C   )   1.0   -108.06    40.00   2 
   assign (resid  78 and name N   )   (resid  78 and name CA  )
          (resid  78 and name C   )   (resid  79 and name N   )   1.0    131.19    50.00   2 
   assign (resid  78 and name C   )   (resid  79 and name N   )
          (resid  79 and name CA  )   (resid  79 and name C   )   1.0   -145.50    40.00   2 
   assign (resid  79 and name N   )   (resid  79 and name CA  )
          (resid  79 and name C   )   (resid  80 and name N   )   1.0    150.10    50.00   2 
   assign (resid  80 and name C   )   (resid  81 and name N   )
          (resid  81 and name CA  )   (resid  81 and name C   )   1.0   -116.14    40.00   2 
   assign (resid  81 and name N   )   (resid  81 and name CA  )
          (resid  81 and name C   )   (resid  82 and name N   )   1.0    149.89    50.00   2 
   assign (resid  87 and name C   )   (resid  88 and name N   )
          (resid  88 and name CA  )   (resid  88 and name C   )   1.0   -132.35    40.00   2 
   assign (resid  88 and name N   )   (resid  88 and name CA  )
          (resid  88 and name C   )   (resid  89 and name N   )   1.0    148.29    50.00   2 
   assign (resid  88 and name C   )   (resid  89 and name N   )
          (resid  89 and name CA  )   (resid  89 and name C   )   1.0   -101.51    40.00   2 
   assign (resid  89 and name N   )   (resid  89 and name CA  )
          (resid  89 and name C   )   (resid  90 and name N   )   1.0    136.48    50.00   2 
   assign (resid  89 and name C   )   (resid  90 and name N   )
          (resid  90 and name CA  )   (resid  90 and name C   )   1.0   -140.05    40.00   2 
   assign (resid  90 and name N   )   (resid  90 and name CA  )
          (resid  90 and name C   )   (resid  91 and name N   )   1.0    140.75    50.00   2 
   assign (resid  90 and name C   )   (resid  91 and name N   )
          (resid  91 and name CA  )   (resid  91 and name C   )   1.0    -87.44    40.00   2 
   assign (resid  91 and name N   )   (resid  91 and name CA  )
          (resid  91 and name C   )   (resid  92 and name N   )   1.0    125.81    50.00   2 
   assign (resid  91 and name C   )   (resid  92 and name N   )
          (resid  92 and name CA  )   (resid  92 and name C   )   1.0   -114.54    40.00   2 
   assign (resid  92 and name N   )   (resid  92 and name CA  )
          (resid  92 and name C   )   (resid  93 and name N   )   1.0    124.95    50.00   2 
   assign (resid 101 and name C   )   (resid 102 and name N   )
          (resid 102 and name CA  )   (resid 102 and name C   )   1.0    -89.79    40.00   2 
   assign (resid 102 and name N   )   (resid 102 and name CA  )
          (resid 102 and name C   )   (resid 103 and name N   )   1.0    124.65    50.00   2 
   assign (resid 102 and name C   )   (resid 103 and name N   )
          (resid 103 and name CA  )   (resid 103 and name C   )   1.0    -95.82    40.00   2 
   assign (resid 103 and name N   )   (resid 103 and name CA  )
          (resid 103 and name C   )   (resid 104 and name N   )   1.0    111.13    50.00   2 
   assign (resid 103 and name C   )   (resid 104 and name N   )
          (resid 104 and name CA  )   (resid 104 and name C   )   1.0    -58.95    40.00   2 
   assign (resid 104 and name N   )   (resid 104 and name CA  )
          (resid 104 and name C   )   (resid 105 and name N   )   1.0    -29.06    50.00   2 
   assign (resid 106 and name C   )   (resid 107 and name N   )
          (resid 107 and name CA  )   (resid 107 and name C   )   1.0   -109.81    40.00   2 
   assign (resid 107 and name N   )   (resid 107 and name CA  )
          (resid 107 and name C   )   (resid 108 and name N   )   1.0    128.65    50.00   2 
 end
!END Manual Input
! created by  NOESY_Assign Version 2.0.0 Copyright(C) 1995-2003

assign (resid 1    and name O     )(resid 58   and name N     )    2.80  0.4  0.5
assign (resid 1    and name O     )(resid 58   and name HN    )     1.8  0.3  0.5
assign (resid 2    and name O     )(resid 89   and name N     )    2.80  0.4  0.5
assign (resid 2    and name O     )(resid 89   and name HN    )     1.8  0.3  0.5
assign (resid 3    and name O     )(resid 56   and name N     )    2.80  0.4  0.5
assign (resid 3    and name O     )(resid 56   and name HN    )     1.8  0.3  0.5
assign (resid 5    and name O     )(resid 54   and name N     )    2.80  0.4  0.5
assign (resid 5    and name O     )(resid 54   and name HN    )     1.8  0.3  0.5
assign (resid 23   and name O     )(resid 57   and name N     )    2.80  0.4  0.5
assign (resid 23   and name O     )(resid 57   and name HN    )     1.8  0.3  0.5
assign (resid 30   and name O     )(resid 51   and name N     )    2.80  0.4  0.5
assign (resid 30   and name O     )(resid 51   and name HN    )     1.8  0.3  0.5
assign (resid 34   and name O     )(resid 45   and name N     )    2.80  0.4  0.5
assign (resid 34   and name O     )(resid 45   and name HN    )     1.8  0.3  0.5
assign (resid 35   and name O     )(resid 103  and name N     )    2.80  0.4  0.5
assign (resid 35   and name O     )(resid 103  and name HN    )     1.8  0.3  0.5
assign (resid 37   and name O     )(resid 101  and name N     )    2.80  0.4  0.5
assign (resid 37   and name O     )(resid 101  and name HN    )     1.8  0.3  0.5
assign (resid 43   and name O     )(resid 36   and name N     )    2.80  0.4  0.5
assign (resid 43   and name O     )(resid 36   and name HN    )     1.8  0.3  0.5
assign (resid 45   and name O     )(resid 34   and name N     )    2.80  0.4  0.5
assign (resid 45   and name O     )(resid 34   and name HN    )     1.8  0.3  0.5
assign (resid 51   and name O     )(resid 30   and name N     )    2.80  0.4  0.5
assign (resid 51   and name O     )(resid 30   and name HN    )     1.8  0.3  0.5
assign (resid 53   and name O     )(resid 28   and name N     )    2.80  0.4  0.5
assign (resid 53   and name O     )(resid 28   and name HN    )     1.8  0.3  0.5
assign (resid 54   and name O     )(resid 5    and name N     )    2.80  0.4  0.5
assign (resid 54   and name O     )(resid 5    and name HN    )     1.8  0.3  0.5
assign (resid 56   and name O     )(resid 3    and name N     )    2.80  0.4  0.5
assign (resid 56   and name O     )(resid 3    and name HN    )     1.8  0.3  0.5
assign (resid 57   and name O     )(resid 23   and name N     )    2.80  0.4  0.5
assign (resid 57   and name O     )(resid 23   and name HN    )     1.8  0.3  0.5
assign (resid 60   and name O     )(resid 64   and name N     )    2.80  0.4  0.5
assign (resid 60   and name O     )(resid 64   and name HN    )     1.8  0.3  0.5
assign (resid 61   and name O     )(resid 65   and name N     )    2.80  0.4  0.5
assign (resid 61   and name O     )(resid 65   and name HN    )     1.8  0.3  0.5
assign (resid 62   and name O     )(resid 66   and name N     )    2.80  0.4  0.5
assign (resid 62   and name O     )(resid 66   and name HN    )     1.8  0.3  0.5
assign (resid 63   and name O     )(resid 67   and name N     )    2.80  0.4  0.5
assign (resid 63   and name O     )(resid 67   and name HN    )     1.8  0.3  0.5
assign (resid 64   and name O     )(resid 68   and name N     )    2.80  0.4  0.5
assign (resid 64   and name O     )(resid 68   and name HN    )     1.8  0.3  0.5
assign (resid 65   and name O     )(resid 69   and name N     )    2.80  0.4  0.5
assign (resid 65   and name O     )(resid 69   and name HN    )     1.8  0.3  0.5
assign (resid 66   and name O     )(resid 70   and name N     )    2.80  0.4  0.5
assign (resid 66   and name O     )(resid 70   and name HN    )     1.8  0.3  0.5
assign (resid 77   and name O     )(resid 92   and name N     )    2.80  0.4  0.5
assign (resid 77   and name O     )(resid 92   and name HN    )     1.8  0.3  0.5
assign (resid 79   and name O     )(resid 90   and name N     )    2.80  0.4  0.5
assign (resid 79   and name O     )(resid 90   and name HN    )     1.8  0.3  0.5
assign (resid 81   and name O     )(resid 88   and name N     )    2.80  0.4  0.5
assign (resid 81   and name O     )(resid 88   and name HN    )     1.8  0.3  0.5
assign (resid 83   and name O     )(resid 86   and name N     )    2.80  0.4  0.5
assign (resid 83   and name O     )(resid 86   and name HN    )     1.8  0.3  0.5
assign (resid 86   and name O     )(resid 83   and name N     )    2.80  0.4  0.5
assign (resid 86   and name O     )(resid 83   and name HN    )     1.8  0.3  0.5
assign (resid 88   and name O     )(resid 81   and name N     )    2.80  0.4  0.5
assign (resid 88   and name O     )(resid 81   and name HN    )     1.8  0.3  0.5
assign (resid 89   and name O     )(resid 4    and name N     )    2.80  0.4  0.5
assign (resid 89   and name O     )(resid 4    and name HN    )     1.8  0.3  0.5
assign (resid 90   and name O     )(resid 79   and name N     )    2.80  0.4  0.5
assign (resid 90   and name O     )(resid 79   and name HN    )     1.8  0.3  0.5
assign (resid 92   and name O     )(resid 77   and name N     )    2.80  0.4  0.5
assign (resid 92   and name O     )(resid 77   and name HN    )     1.8  0.3  0.5
assign (resid 103  and name O     )(resid 35   and name N     )    2.80  0.4  0.5
assign (resid 103  and name O     )(resid 35   and name HN    )     1.8  0.3  0.5
assign (resid 106  and name O     )(resid 52   and name N     )    2.80  0.4  0.5
assign (resid 106  and name O     )(resid 52   and name HN    )     1.8  0.3  0.5



  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET   1          1HT       MET   1   4.541   4.420 -12.291
    2   2H    MET   1          2HT       MET   1   3.261   3.863 -11.335
    3   3H    MET   1          3HT       MET   1   4.158   2.774 -12.265
    4    HA   MET   1           HA       MET   1   6.125   3.264 -10.967
    5   1HB   MET   1          2HB       MET   1   4.845   5.530 -10.294
    6   2HB   MET   1          1HB       MET   1   4.446   4.554  -8.887
    7   1HG   MET   1          2HG       MET   1   6.408   5.907  -8.490
    8   2HG   MET   1          1HG       MET   1   6.811   4.190  -8.456
    9   1HE   MET   1          1HE       MET   1   6.930   7.500 -10.613
   10   2HE   MET   1          2HE       MET   1   6.109   6.349 -11.669
   11   3HE   MET   1          3HE       MET   1   7.727   6.920 -12.078
   12    H    ARG   2           H        ARG   2   6.372   2.206  -8.679
   13    HA   ARG   2           HA       ARG   2   4.448   0.031  -8.559
   14   1HB   ARG   2          2HB       ARG   2   7.161   0.526  -7.431
   15   2HB   ARG   2          1HB       ARG   2   6.115  -0.632  -6.615
   16   1HG   ARG   2          2HG       ARG   2   6.036  -2.047  -8.464
   17   2HG   ARG   2          1HG       ARG   2   6.605  -0.790  -9.564
   18   1HD   ARG   2          2HD       ARG   2   8.348  -1.722  -7.322
   19   2HD   ARG   2          1HD       ARG   2   8.225  -2.680  -8.799
   20    HE   ARG   2           HE       ARG   2   8.788   0.094  -9.292
   21   1HH1  ARG   2          1HH1      ARG   2  10.221  -2.986  -8.441
   22   2HH1  ARG   2          2HH1      ARG   2  11.759  -2.613  -9.159
   23   1HH2  ARG   2          1HH2      ARG   2  10.787   0.575 -10.271
   24   2HH2  ARG   2          2HH2      ARG   2  12.084  -0.588 -10.194
   25    H    ILE   3           H        ILE   3   3.072  -0.389  -6.908
   26    HA   ILE   3           HA       ILE   3   2.962   1.475  -4.662
   27    HB   ILE   3           HB       ILE   3   1.553   2.496  -6.405
   28   1HG1  ILE   3          2HG1      ILE   3  -0.091   1.308  -4.156
   29   2HG1  ILE   3          1HG1      ILE   3   0.926   2.739  -4.027
   30   1HG2  ILE   3          1HG2      ILE   3  -0.029  -0.067  -6.302
   31   2HG2  ILE   3          2HG2      ILE   3   0.972   0.490  -7.642
   32   3HG2  ILE   3          3HG2      ILE   3  -0.477   1.388  -7.193
   33   1HD1  ILE   3          1HD1      ILE   3  -1.434   3.304  -4.268
   34   2HD1  ILE   3          2HD1      ILE   3  -1.476   2.459  -5.815
   35   3HD1  ILE   3          3HD1      ILE   3  -0.481   3.904  -5.625
   36    H    PHE   4           H        PHE   4   1.731   0.694  -2.891
   37    HA   PHE   4           HA       PHE   4   1.614  -2.217  -2.814
   38   1HB   PHE   4          2HB       PHE   4   2.802  -0.957  -1.026
   39   2HB   PHE   4          1HB       PHE   4   1.275  -0.207  -0.574
   40    HD1  PHE   4           HD1      PHE   4   3.057  -3.435  -0.791
   41    HD2  PHE   4           HD2      PHE   4  -0.229  -1.295   0.860
   42    HE1  PHE   4           HE1      PHE   4   2.592  -5.320   0.718
   43    HE2  PHE   4           HE2      PHE   4  -0.698  -3.175   2.374
   44    HZ   PHE   4           HZ       PHE   4   0.714  -5.193   2.303
   45    H    VAL   5           H        VAL   5  -0.222  -3.337  -2.888
   46    HA   VAL   5           HA       VAL   5  -2.742  -1.873  -2.953
   47    HB   VAL   5           HB       VAL   5  -2.101  -4.748  -3.633
   48   1HG1  VAL   5          1HG1      VAL   5  -4.374  -4.865  -4.549
   49   2HG1  VAL   5          2HG1      VAL   5  -4.707  -3.255  -3.911
   50   3HG1  VAL   5          3HG1      VAL   5  -4.383  -4.593  -2.808
   51   1HG2  VAL   5          1HG2      VAL   5  -2.736  -2.347  -5.340
   52   2HG2  VAL   5          2HG2      VAL   5  -2.568  -3.998  -5.939
   53   3HG2  VAL   5          3HG2      VAL   5  -1.184  -3.177  -5.217
   54    H    TYR   6           H        TYR   6  -3.540  -1.491  -1.002
   55    HA   TYR   6           HA       TYR   6  -3.675  -3.715   0.915
   56   1HB   TYR   6          2HB       TYR   6  -3.994  -2.009   2.658
   57   2HB   TYR   6          1HB       TYR   6  -2.485  -1.774   1.792
   58    HD1  TYR   6           HD1      TYR   6  -2.495   0.015  -0.102
   59    HD2  TYR   6           HD2      TYR   6  -5.483  -0.257   2.921
   60    HE1  TYR   6           HE1      TYR   6  -3.112   2.367  -0.500
   61    HE2  TYR   6           HE2      TYR   6  -6.112   2.082   2.519
   62    HH   TYR   6           HH       TYR   6  -5.281   4.071   1.605
   63    H    GLY   7           H        GLY   7  -5.429  -2.973  -1.431
   64   1HA   GLY   7          2HA       GLY   7  -7.975  -2.814   0.055
   65   2HA   GLY   7          1HA       GLY   7  -7.765  -2.225  -1.590
   66    H    SER   8           H        SER   8  -7.391  -5.173   0.327
   67    HA   SER   8           HA       SER   8  -7.671  -7.363  -0.066
   68   1HB   SER   8          2HB       SER   8  -9.560  -8.127  -1.340
   69   2HB   SER   8          1HB       SER   8 -10.028  -6.655  -0.494
   70    HG   SER   8           HG       SER   8  -9.300  -5.658  -2.645
   71    H    LEU   9           H        LEU   9  -7.035  -9.124  -1.386
   72    HA   LEU   9           HA       LEU   9  -4.989  -8.485  -3.252
   73   1HB   LEU   9          2HB       LEU   9  -6.347 -11.133  -2.721
   74   2HB   LEU   9          1HB       LEU   9  -4.920 -10.925  -3.711
   75    HG   LEU   9           HG       LEU   9  -4.065 -11.708  -1.704
   76   1HD1  LEU   9          1HD1      LEU   9  -2.867  -9.723  -2.417
   77   2HD1  LEU   9          2HD1      LEU   9  -2.871  -9.859  -0.658
   78   3HD1  LEU   9          3HD1      LEU   9  -3.946  -8.711  -1.457
   79   1HD2  LEU   9          1HD2      LEU   9  -6.137 -11.562  -0.418
   80   2HD2  LEU   9          2HD2      LEU   9  -5.885  -9.827  -0.213
   81   3HD2  LEU   9          3HD2      LEU   9  -4.753 -10.973   0.503
   82    H    ARG  10           H        ARG  10  -8.341  -8.950  -3.454
   83    HA   ARG  10           HA       ARG  10  -8.593  -9.686  -6.177
   84   1HB   ARG  10          2HB       ARG  10 -10.507  -8.255  -4.322
   85   2HB   ARG  10          1HB       ARG  10 -10.938  -8.899  -5.902
   86   1HG   ARG  10          2HG       ARG  10 -10.408 -11.152  -5.137
   87   2HG   ARG  10          1HG       ARG  10  -9.948 -10.511  -3.558
   88   1HD   ARG  10          2HD       ARG  10 -12.202 -11.424  -3.494
   89   2HD   ARG  10          1HD       ARG  10 -12.227  -9.680  -3.237
   90    HE   ARG  10           HE       ARG  10 -12.722  -9.698  -5.797
   91   1HH1  ARG  10          1HH1      ARG  10 -13.941 -11.933  -3.387
   92   2HH1  ARG  10          2HH1      ARG  10 -15.409 -12.268  -4.263
   93   1HH2  ARG  10          1HH2      ARG  10 -14.639 -10.133  -6.948
   94   2HH2  ARG  10          2HH2      ARG  10 -15.806 -11.246  -6.291
   95    H    HIS  11           H        HIS  11  -7.799  -6.782  -4.581
   96    HA   HIS  11           HA       HIS  11  -7.662  -4.596  -5.145
   97   1HB   HIS  11          2HB       HIS  11  -6.415  -4.161  -7.252
   98   2HB   HIS  11          1HB       HIS  11  -5.679  -5.385  -6.233
   99    HD1  HIS  11           HD1      HIS  11  -5.340  -7.691  -7.237
  100    HD2  HIS  11           HD2      HIS  11  -7.544  -5.154  -9.689
  101    HE1  HIS  11           HE1      HIS  11  -5.484  -8.855  -9.459
  102    HE2  HIS  11           HE2      HIS  11  -7.012  -7.407 -10.840
  103    H    LYS  12           H        LYS  12  -7.869  -3.349  -7.744
  104    HA   LYS  12           HA       LYS  12 -10.605  -3.866  -8.583
  105   1HB   LYS  12          2HB       LYS  12 -10.637  -2.199  -6.658
  106   2HB   LYS  12          1HB       LYS  12  -9.778  -1.090  -7.717
  107   1HG   LYS  12          2HG       LYS  12 -12.138  -0.593  -7.708
  108   2HG   LYS  12          1HG       LYS  12 -11.640  -1.163  -9.300
  109   1HD   LYS  12          2HD       LYS  12 -13.699  -2.229  -8.837
  110   2HD   LYS  12          1HD       LYS  12 -12.452  -3.451  -8.606
  111   1HE   LYS  12          2HE       LYS  12 -13.584  -1.843  -6.327
  112   2HE   LYS  12          1HE       LYS  12 -14.313  -3.349  -6.872
  113   1HZ   LYS  12          1HZ       LYS  12 -11.601  -2.965  -5.719
  114   2HZ   LYS  12          2HZ       LYS  12 -12.097  -4.405  -6.466
  115   3HZ   LYS  12          3HZ       LYS  12 -12.886  -3.860  -5.076
  116    H    GLN  13           H        GLN  13 -10.936  -3.353 -10.706
  117    HA   GLN  13           HA       GLN  13  -8.612  -2.848 -12.293
  118   1HB   GLN  13          2HB       GLN  13 -11.520  -3.228 -12.992
  119   2HB   GLN  13          1HB       GLN  13 -10.291  -2.914 -14.206
  120   1HG   GLN  13          2HG       GLN  13 -10.808  -5.280 -14.059
  121   2HG   GLN  13          1HG       GLN  13  -9.138  -4.967 -13.601
  122   1HE2  GLN  13          1HE2      GLN  13 -12.315  -5.831 -12.454
  123   2HE2  GLN  13          2HE2      GLN  13 -11.797  -6.471 -10.926
  124    H    GLY  14           H        GLY  14 -10.962  -0.926 -10.853
  125   1HA   GLY  14          2HA       GLY  14 -11.204   1.337 -10.777
  126   2HA   GLY  14          1HA       GLY  14  -9.716   1.466 -11.696
  127    H    ASN  15           H        ASN  15  -9.788   1.800 -13.854
  128    HA   ASN  15           HA       ASN  15 -12.454   2.044 -15.069
  129   1HB   ASN  15          2HB       ASN  15 -11.637   3.960 -16.370
  130   2HB   ASN  15          1HB       ASN  15 -11.525   4.272 -14.644
  131   1HD2  ASN  15          1HD2      ASN  15 -10.121   5.555 -16.806
  132   2HD2  ASN  15          2HD2      ASN  15  -8.435   5.329 -16.499
  133    H    SER  16           H        SER  16  -9.060   1.324 -15.523
  134    HA   SER  16           HA       SER  16  -9.473  -0.783 -17.311
  135   1HB   SER  16          2HB       SER  16  -8.424   0.318 -19.356
  136   2HB   SER  16          1HB       SER  16 -10.088   0.782 -19.001
  137    HG   SER  16           HG       SER  16  -8.652   2.567 -19.490
  138    H    HIS  17           H        HIS  17  -7.252   1.886 -16.634
  139    HA   HIS  17           HA       HIS  17  -4.836   0.818 -17.318
  140   1HB   HIS  17          2HB       HIS  17  -5.595   2.682 -15.089
  141   2HB   HIS  17          1HB       HIS  17  -3.922   2.203 -15.330
  142    HD1  HIS  17           HD1      HIS  17  -5.456   5.100 -15.753
  143    HD2  HIS  17           HD2      HIS  17  -3.801   2.540 -18.598
  144    HE1  HIS  17           HE1      HIS  17  -4.916   6.540 -17.744
  145    HE2  HIS  17           HE2      HIS  17  -3.655   5.023 -19.309
  146    H    TRP  18           H        TRP  18  -6.642   0.126 -14.382
  147    HA   TRP  18           HA       TRP  18  -4.351  -0.936 -13.018
  148   1HB   TRP  18          2HB       TRP  18  -7.258  -0.986 -12.200
  149   2HB   TRP  18          1HB       TRP  18  -5.863  -1.249 -11.151
  150    HD1  TRP  18           HD1      TRP  18  -8.111   1.436 -12.352
  151    HE1  TRP  18           HE1      TRP  18  -7.191   3.750 -11.694
  152    HE3  TRP  18           HE3      TRP  18  -3.414   0.051 -10.895
  153    HZ2  TRP  18           HZ2      TRP  18  -4.787   4.837 -10.692
  154    HZ3  TRP  18           HZ3      TRP  18  -1.864   1.787 -10.103
  155    HH2  TRP  18           HH2      TRP  18  -2.536   4.129 -10.003
  156    H    MET  19           H        MET  19  -6.162  -2.265 -15.393
  157    HA   MET  19           HA       MET  19  -5.420  -4.936 -14.397
  158   1HB   MET  19          2HB       MET  19  -7.292  -5.957 -15.496
  159   2HB   MET  19          1HB       MET  19  -7.903  -4.666 -14.473
  160   1HG   MET  19          2HG       MET  19  -8.312  -3.261 -16.331
  161   2HG   MET  19          1HG       MET  19  -7.405  -4.317 -17.414
  162   1HE   MET  19          1HE       MET  19  -8.205  -6.729 -18.134
  163   2HE   MET  19          2HE       MET  19  -9.716  -7.467 -17.601
  164   3HE   MET  19          3HE       MET  19  -8.413  -7.191 -16.445
  165    H    THR  20           H        THR  20  -4.796  -2.567 -16.570
  166    HA   THR  20           HA       THR  20  -4.238  -4.365 -18.799
  167    HB   THR  20           HB       THR  20  -3.968  -1.354 -18.706
  168    HG1  THR  20           HG1      THR  20  -6.052  -2.166 -20.174
  169   1HG2  THR  20          1HG2      THR  20  -4.102  -1.549 -21.158
  170   2HG2  THR  20          2HG2      THR  20  -4.111  -3.306 -21.003
  171   3HG2  THR  20          3HG2      THR  20  -2.695  -2.383 -20.498
  172    H    ASN  21           H        ASN  21  -2.498  -1.636 -17.272
  173    HA   ASN  21           HA       ASN  21   0.024  -2.845 -18.087
  174   1HB   ASN  21          2HB       ASN  21   1.052  -0.731 -17.350
  175   2HB   ASN  21          1HB       ASN  21  -0.254  -0.455 -18.498
  176   1HD2  ASN  21          1HD2      ASN  21  -2.022   0.674 -17.882
  177   2HD2  ASN  21          2HD2      ASN  21  -2.175   1.433 -16.330
  178    H    ALA  22           H        ALA  22  -1.949  -3.205 -15.539
  179    HA   ALA  22           HA       ALA  22  -0.165  -3.006 -13.336
  180   1HB   ALA  22          1HB       ALA  22  -2.599  -2.951 -13.063
  181   2HB   ALA  22          2HB       ALA  22  -1.865  -4.227 -12.091
  182   3HB   ALA  22          3HB       ALA  22  -2.695  -4.629 -13.595
  183    H    GLN  23           H        GLN  23   1.622  -4.173 -13.219
  184    HA   GLN  23           HA       GLN  23   1.584  -6.958 -14.132
  185   1HB   GLN  23          2HB       GLN  23   3.406  -5.545 -15.014
  186   2HB   GLN  23          1HB       GLN  23   3.932  -5.197 -13.372
  187   1HG   GLN  23          2HG       GLN  23   4.318  -7.645 -13.062
  188   2HG   GLN  23          1HG       GLN  23   3.981  -7.855 -14.779
  189   1HE2  GLN  23          1HE2      GLN  23   6.037  -8.657 -15.183
  190   2HE2  GLN  23          2HE2      GLN  23   7.434  -7.632 -15.187
  191    H    LEU  24           H        LEU  24   1.227  -8.449 -12.643
  192    HA   LEU  24           HA       LEU  24   1.366  -7.901  -9.857
  193   1HB   LEU  24          2HB       LEU  24  -0.242  -9.503 -10.659
  194   2HB   LEU  24          1HB       LEU  24   1.023 -10.484 -11.375
  195    HG   LEU  24           HG       LEU  24   1.876 -11.053  -9.161
  196   1HD1  LEU  24          1HD1      LEU  24   1.304  -9.004  -7.987
  197   2HD1  LEU  24          2HD1      LEU  24   0.652 -10.410  -7.147
  198   3HD1  LEU  24          3HD1      LEU  24  -0.411  -9.392  -8.117
  199   1HD2  LEU  24          1HD2      LEU  24   0.012 -12.430  -8.413
  200   2HD2  LEU  24          2HD2      LEU  24   0.157 -12.463 -10.170
  201   3HD2  LEU  24          3HD2      LEU  24  -1.097 -11.487  -9.407
  202    H    LEU  25           H        LEU  25   3.295  -7.463  -9.039
  203    HA   LEU  25           HA       LEU  25   5.700  -8.786  -9.814
  204   1HB   LEU  25          2HB       LEU  25   5.072  -7.111  -7.378
  205   2HB   LEU  25          1HB       LEU  25   6.676  -7.612  -7.867
  206    HG   LEU  25           HG       LEU  25   4.864  -5.796  -9.458
  207   1HD1  LEU  25          1HD1      LEU  25   6.472  -4.046  -8.856
  208   2HD1  LEU  25          2HD1      LEU  25   7.319  -5.192  -7.816
  209   3HD1  LEU  25          3HD1      LEU  25   5.663  -4.713  -7.438
  210   1HD2  LEU  25          1HD2      LEU  25   7.726  -6.631  -9.913
  211   2HD2  LEU  25          2HD2      LEU  25   6.849  -5.419 -10.847
  212   3HD2  LEU  25          3HD2      LEU  25   6.334  -7.105 -10.887
  213    H    GLY  26           H        GLY  26   3.510  -8.962  -7.059
  214   1HA   GLY  26          2HA       GLY  26   3.253 -11.585  -6.689
  215   2HA   GLY  26          1HA       GLY  26   4.855 -11.312  -6.009
  216    H    ASP  27           H        ASP  27   2.951 -12.263  -4.320
  217    HA   ASP  27           HA       ASP  27   1.716 -10.057  -2.951
  218   1HB   ASP  27          2HB       ASP  27   1.040 -11.662  -1.262
  219   2HB   ASP  27          1HB       ASP  27   0.667 -12.255  -2.861
  220    H    PHE  28           H        PHE  28   2.224  -9.263  -1.023
  221    HA   PHE  28           HA       PHE  28   4.707  -9.982   0.267
  222   1HB   PHE  28          2HB       PHE  28   5.572  -8.584  -1.508
  223   2HB   PHE  28          1HB       PHE  28   4.407  -7.324  -1.136
  224    HD1  PHE  28           HD1      PHE  28   5.527  -5.478  -0.403
  225    HD2  PHE  28           HD2      PHE  28   6.729  -9.302   1.031
  226    HE1  PHE  28           HE1      PHE  28   7.144  -4.401   1.096
  227    HE2  PHE  28           HE2      PHE  28   8.352  -8.224   2.541
  228    HZ   PHE  28           HZ       PHE  28   8.551  -5.762   2.571
  229    H    SER  29           H        SER  29   3.795 -10.231   2.188
  230    HA   SER  29           HA       SER  29   1.993  -8.219   3.248
  231   1HB   SER  29          2HB       SER  29   3.034 -10.749   4.548
  232   2HB   SER  29          1HB       SER  29   1.661  -9.777   5.080
  233    HG   SER  29           HG       SER  29   1.505 -10.590   2.460
  234    H    ILE  30           H        ILE  30   2.557  -6.719   4.775
  235    HA   ILE  30           HA       ILE  30   5.397  -6.728   5.556
  236    HB   ILE  30           HB       ILE  30   5.093  -4.219   5.813
  237   1HG1  ILE  30          2HG1      ILE  30   2.634  -4.853   4.184
  238   2HG1  ILE  30          1HG1      ILE  30   2.691  -4.053   5.749
  239   1HG2  ILE  30          1HG2      ILE  30   5.494  -3.811   3.437
  240   2HG2  ILE  30          2HG2      ILE  30   4.940  -5.445   3.072
  241   3HG2  ILE  30          3HG2      ILE  30   6.395  -5.201   4.040
  242   1HD1  ILE  30          1HD1      ILE  30   3.775  -2.132   4.768
  243   2HD1  ILE  30          2HD1      ILE  30   2.281  -2.487   3.900
  244   3HD1  ILE  30          3HD1      ILE  30   3.841  -2.934   3.200
  245    H    ASP  31           H        ASP  31   5.848  -6.808   7.605
  246    HA   ASP  31           HA       ASP  31   3.680  -6.768   9.526
  247   1HB   ASP  31          2HB       ASP  31   5.727  -8.425   9.437
  248   2HB   ASP  31          1HB       ASP  31   6.551  -7.136  10.305
  249    H    ASN  32           H        ASN  32   4.067  -5.620  11.617
  250    HA   ASN  32           HA       ASN  32   4.351  -3.725  12.824
  251   1HB   ASN  32          2HB       ASN  32   6.579  -3.249  10.855
  252   2HB   ASN  32          1HB       ASN  32   6.216  -2.131  12.160
  253   1HD2  ASN  32          1HD2      ASN  32   6.015  -5.650  12.365
  254   2HD2  ASN  32          2HD2      ASN  32   7.315  -5.831  13.485
  255    H    TYR  33           H        TYR  33   2.574  -3.902  10.432
  256    HA   TYR  33           HA       TYR  33   1.965  -1.027  10.425
  257   1HB   TYR  33          2HB       TYR  33   1.744  -2.847   8.021
  258   2HB   TYR  33          1HB       TYR  33   1.095  -1.227   8.105
  259    HD1  TYR  33           HD1      TYR  33   4.088  -3.230   7.631
  260    HD2  TYR  33           HD2      TYR  33   2.612   0.723   8.155
  261    HE1  TYR  33           HE1      TYR  33   6.212  -2.331   6.782
  262    HE2  TYR  33           HE2      TYR  33   4.734   1.632   7.314
  263    HH   TYR  33           HH       TYR  33   7.052  -0.279   5.734
  264    H    GLN  34           H        GLN  34  -0.268  -0.540  10.362
  265    HA   GLN  34           HA       GLN  34  -2.044  -2.851  10.774
  266   1HB   GLN  34          2HB       GLN  34  -1.944  -0.300  12.387
  267   2HB   GLN  34          1HB       GLN  34  -3.277  -1.443  12.459
  268   1HG   GLN  34          2HG       GLN  34  -1.742  -3.190  13.217
  269   2HG   GLN  34          1HG       GLN  34  -0.407  -2.043  13.148
  270   1HE2  GLN  34          1HE2      GLN  34  -1.392  -3.553  15.416
  271   2HE2  GLN  34          2HE2      GLN  34  -1.843  -2.383  16.618
  272    H    LEU  35           H        LEU  35  -4.283  -2.501  10.230
  273    HA   LEU  35           HA       LEU  35  -4.528  -0.446   8.129
  274   1HB   LEU  35          2HB       LEU  35  -4.542  -2.842   7.407
  275   2HB   LEU  35          1HB       LEU  35  -6.013  -3.064   8.333
  276    HG   LEU  35           HG       LEU  35  -7.059  -1.264   6.887
  277   1HD1  LEU  35          1HD1      LEU  35  -6.015  -0.865   4.711
  278   2HD1  LEU  35          2HD1      LEU  35  -4.593  -1.771   5.229
  279   3HD1  LEU  35          3HD1      LEU  35  -5.018  -0.259   6.034
  280   1HD2  LEU  35          1HD2      LEU  35  -6.122  -3.759   5.484
  281   2HD2  LEU  35          2HD2      LEU  35  -7.546  -2.797   5.086
  282   3HD2  LEU  35          3HD2      LEU  35  -7.472  -3.677   6.612
  283    H    TYR  36           H        TYR  36  -6.077   1.027   8.282
  284    HA   TYR  36           HA       TYR  36  -8.132   0.747  10.363
  285   1HB   TYR  36          2HB       TYR  36  -7.387   3.172   8.710
  286   2HB   TYR  36          1HB       TYR  36  -8.540   3.141  10.038
  287    HD1  TYR  36           HD1      TYR  36  -7.714   2.726  12.360
  288    HD2  TYR  36           HD2      TYR  36  -5.089   3.436   9.091
  289    HE1  TYR  36           HE1      TYR  36  -5.900   3.262  13.939
  290    HE2  TYR  36           HE2      TYR  36  -3.268   3.990  10.643
  291    HH   TYR  36           HH       TYR  36  -3.428   3.308  13.964
  292    H    SER  37           H        SER  37 -10.312   0.972   9.886
  293    HA   SER  37           HA       SER  37 -11.011   1.252   7.044
  294   1HB   SER  37          2HB       SER  37 -13.152  -0.035   7.781
  295   2HB   SER  37          1HB       SER  37 -11.668  -0.948   7.508
  296    HG   SER  37           HG       SER  37 -11.481  -1.312   9.605
  297    H    LEU  38           H        LEU  38 -11.747   3.262   6.768
  298    HA   LEU  38           HA       LEU  38 -13.036   4.561   9.052
  299   1HB   LEU  38          2HB       LEU  38 -12.542   6.691   7.766
  300   2HB   LEU  38          1HB       LEU  38 -11.187   5.842   8.474
  301    HG   LEU  38           HG       LEU  38 -11.852   5.343   5.598
  302   1HD1  LEU  38          1HD1      LEU  38 -10.465   7.246   4.948
  303   2HD1  LEU  38          2HD1      LEU  38 -10.316   7.726   6.639
  304   3HD1  LEU  38          3HD1      LEU  38 -11.887   7.782   5.841
  305   1HD2  LEU  38          1HD2      LEU  38 -10.104   4.019   6.705
  306   2HD2  LEU  38          2HD2      LEU  38  -9.264   5.504   7.153
  307   3HD2  LEU  38          3HD2      LEU  38  -9.425   5.060   5.455
  308    H    GLY  39           H        GLY  39 -14.225   2.836   6.766
  309   1HA   GLY  39          2HA       GLY  39 -16.719   3.049   6.863
  310   2HA   GLY  39          1HA       GLY  39 -16.471   4.706   6.332
  311    H    HIS  40           H        HIS  40 -14.898   4.693   4.305
  312    HA   HIS  40           HA       HIS  40 -16.147   2.880   2.356
  313   1HB   HIS  40          2HB       HIS  40 -14.758   5.545   2.009
  314   2HB   HIS  40          1HB       HIS  40 -15.253   4.531   0.663
  315    HD1  HIS  40           HD1      HIS  40 -16.696   6.599   3.474
  316    HD2  HIS  40           HD2      HIS  40 -17.876   4.753  -0.059
  317    HE1  HIS  40           HE1      HIS  40 -19.031   7.419   3.028
  318    HE2  HIS  40           HE2      HIS  40 -19.801   6.121   1.011
  319    H    TYR  41           H        TYR  41 -13.161   4.664   2.148
  320    HA   TYR  41           HA       TYR  41 -11.730   2.337   1.219
  321   1HB   TYR  41          2HB       TYR  41  -9.862   4.305   1.296
  322   2HB   TYR  41          1HB       TYR  41 -10.958   4.049  -0.058
  323    HD1  TYR  41           HD1      TYR  41 -12.823   5.559  -0.458
  324    HD2  TYR  41           HD2      TYR  41 -10.195   6.171   2.833
  325    HE1  TYR  41           HE1      TYR  41 -13.716   7.827  -0.174
  326    HE2  TYR  41           HE2      TYR  41 -11.092   8.443   3.128
  327    HH   TYR  41           HH       TYR  41 -12.247  10.165   1.774
  328    HA   PRO  42           HA       PRO  42  -9.614   1.797   5.105
  329   1HB   PRO  42          2HB       PRO  42  -7.604   0.173   4.227
  330   2HB   PRO  42          1HB       PRO  42  -9.277  -0.356   4.423
  331   1HG   PRO  42          2HG       PRO  42  -7.756   0.031   1.977
  332   2HG   PRO  42          1HG       PRO  42  -9.335  -0.732   2.196
  333   1HD   PRO  42          2HD       PRO  42  -8.700   1.970   1.288
  334   2HD   PRO  42          1HD       PRO  42 -10.244   1.097   1.217
  335    H    GLY  43           H        GLY  43  -7.439   1.942   6.130
  336   1HA   GLY  43          2HA       GLY  43  -5.535   3.669   4.698
  337   2HA   GLY  43          1HA       GLY  43  -6.130   4.176   6.276
  338    H    ALA  44           H        ALA  44  -3.363   3.580   5.604
  339    HA   ALA  44           HA       ALA  44  -2.950   1.323   7.427
  340   1HB   ALA  44          1HB       ALA  44  -1.602   1.569   4.742
  341   2HB   ALA  44          2HB       ALA  44  -2.851   0.400   5.169
  342   3HB   ALA  44          3HB       ALA  44  -1.275   0.333   5.956
  343    H    VAL  45           H        VAL  45  -1.087   1.436   8.667
  344    HA   VAL  45           HA       VAL  45   0.791   3.623   8.239
  345    HB   VAL  45           HB       VAL  45   0.517   4.634  10.420
  346   1HG1  VAL  45          1HG1      VAL  45  -2.101   4.526   8.938
  347   2HG1  VAL  45          2HG1      VAL  45  -0.773   5.653   8.667
  348   3HG1  VAL  45          3HG1      VAL  45  -1.684   5.713  10.174
  349   1HG2  VAL  45          1HG2      VAL  45  -0.206   2.755  11.716
  350   2HG2  VAL  45          2HG2      VAL  45  -1.726   2.666  10.829
  351   3HG2  VAL  45          3HG2      VAL  45  -1.397   4.044  11.882
  352    HA   PRO  46           HA       PRO  46   3.567   0.884  10.449
  353   1HB   PRO  46          2HB       PRO  46   4.603   3.185  11.980
  354   2HB   PRO  46          1HB       PRO  46   5.448   2.112  10.861
  355   1HG   PRO  46          2HG       PRO  46   4.883   4.649  10.203
  356   2HG   PRO  46          1HG       PRO  46   4.833   3.344   9.003
  357   1HD   PRO  46          2HD       PRO  46   2.574   4.677  10.448
  358   2HD   PRO  46          1HD       PRO  46   2.690   4.194   8.743
  359    H    GLY  47           H        GLY  47   3.275  -0.359  12.172
  360   1HA   GLY  47          2HA       GLY  47   2.669   0.595  14.782
  361   2HA   GLY  47          1HA       GLY  47   1.222  -0.022  13.995
  362    H    ASN  48           H        ASN  48   0.793  -2.042  14.586
  363    HA   ASN  48           HA       ASN  48   2.974  -3.980  14.721
  364   1HB   ASN  48          2HB       ASN  48   0.940  -3.542  16.920
  365   2HB   ASN  48          1HB       ASN  48   2.008  -4.937  16.821
  366   1HD2  ASN  48          1HD2      ASN  48   4.198  -4.686  17.277
  367   2HD2  ASN  48          2HD2      ASN  48   4.815  -3.267  18.051
  368    H    GLY  49           H        GLY  49   2.182  -4.852  12.812
  369   1HA   GLY  49          2HA       GLY  49   0.330  -6.948  13.111
  370   2HA   GLY  49          1HA       GLY  49  -0.474  -5.599  12.317
  371    H    THR  50           H        THR  50  -0.218  -7.980  10.978
  372    HA   THR  50           HA       THR  50   2.002  -7.495   9.101
  373    HB   THR  50           HB       THR  50   0.402 -10.046   9.264
  374    HG1  THR  50           HG1      THR  50   2.727  -9.301  10.764
  375   1HG2  THR  50          1HG2      THR  50   1.762  -9.687   7.257
  376   2HG2  THR  50          2HG2      THR  50   2.403 -11.011   8.229
  377   3HG2  THR  50          3HG2      THR  50   3.185  -9.431   8.264
  378    H    VAL  51           H        VAL  51   1.245  -6.262   7.440
  379    HA   VAL  51           HA       VAL  51  -1.540  -6.454   6.660
  380    HB   VAL  51           HB       VAL  51   0.691  -4.787   5.476
  381   1HG1  VAL  51          1HG1      VAL  51  -1.111  -5.161   3.878
  382   2HG1  VAL  51          2HG1      VAL  51  -1.098  -3.487   4.432
  383   3HG1  VAL  51          3HG1      VAL  51  -2.293  -4.617   5.070
  384   1HG2  VAL  51          1HG2      VAL  51   0.220  -4.213   7.799
  385   2HG2  VAL  51          2HG2      VAL  51  -1.493  -4.036   7.415
  386   3HG2  VAL  51          3HG2      VAL  51  -0.310  -2.933   6.708
  387    H    HIS  52           H        HIS  52  -2.103  -8.131   5.509
  388    HA   HIS  52           HA       HIS  52  -0.244  -9.567   3.847
  389   1HB   HIS  52          2HB       HIS  52  -1.854 -10.746   5.264
  390   2HB   HIS  52          1HB       HIS  52  -3.190  -9.983   4.417
  391    HD1  HIS  52           HD1      HIS  52  -0.234 -12.198   3.441
  392    HD2  HIS  52           HD2      HIS  52  -4.270 -11.643   2.621
  393    HE1  HIS  52           HE1      HIS  52  -0.827 -13.972   1.765
  394    HE2  HIS  52           HE2      HIS  52  -3.194 -13.443   1.083
  395    H    GLY  53           H        GLY  53   0.009  -7.505   2.518
  396   1HA   GLY  53          2HA       GLY  53  -2.185  -7.116   0.611
  397   2HA   GLY  53          1HA       GLY  53  -0.859  -6.001   0.894
  398    H    GLU  54           H        GLU  54  -1.048  -6.110  -1.528
  399    HA   GLU  54           HA       GLU  54   0.781  -8.164  -2.566
  400   1HB   GLU  54          2HB       GLU  54  -1.755  -8.511  -3.034
  401   2HB   GLU  54          1HB       GLU  54  -1.578  -7.167  -4.146
  402   1HG   GLU  54          2HG       GLU  54  -0.132  -8.375  -5.546
  403   2HG   GLU  54          1HG       GLU  54   0.144  -9.611  -4.320
  404    H    VAL  55           H        VAL  55   2.233  -7.384  -4.130
  405    HA   VAL  55           HA       VAL  55   2.228  -4.438  -4.359
  406    HB   VAL  55           HB       VAL  55   4.591  -6.315  -4.600
  407   1HG1  VAL  55          1HG1      VAL  55   4.938  -4.306  -5.916
  408   2HG1  VAL  55          2HG1      VAL  55   5.943  -4.244  -4.464
  409   3HG1  VAL  55          3HG1      VAL  55   4.456  -3.299  -4.551
  410   1HG2  VAL  55          1HG2      VAL  55   5.268  -5.462  -2.432
  411   2HG2  VAL  55          2HG2      VAL  55   3.666  -6.193  -2.326
  412   3HG2  VAL  55          3HG2      VAL  55   3.835  -4.440  -2.365
  413    H    TYR  56           H        TYR  56   2.156  -3.468  -6.292
  414    HA   TYR  56           HA       TYR  56   2.327  -5.184  -8.685
  415   1HB   TYR  56          2HB       TYR  56   0.225  -3.221  -7.869
  416   2HB   TYR  56          1HB       TYR  56   0.582  -3.419  -9.581
  417    HD1  TYR  56           HD1      TYR  56  -0.416  -5.130 -10.783
  418    HD2  TYR  56           HD2      TYR  56  -0.332  -5.354  -6.544
  419    HE1  TYR  56           HE1      TYR  56  -1.858  -7.114 -10.871
  420    HE2  TYR  56           HE2      TYR  56  -1.781  -7.332  -6.611
  421    HH   TYR  56           HH       TYR  56  -2.906  -8.742  -7.868
  422    H    ARG  57           H        ARG  57   3.102  -4.292 -10.553
  423    HA   ARG  57           HA       ARG  57   4.355  -1.637 -10.325
  424   1HB   ARG  57          2HB       ARG  57   5.872  -3.529 -10.897
  425   2HB   ARG  57          1HB       ARG  57   4.906  -3.836 -12.335
  426   1HG   ARG  57          2HG       ARG  57   5.610  -1.108 -12.395
  427   2HG   ARG  57          1HG       ARG  57   7.067  -2.006 -11.968
  428   1HD   ARG  57          2HD       ARG  57   6.937  -1.785 -14.366
  429   2HD   ARG  57          1HD       ARG  57   6.694  -3.472 -13.920
  430    HE   ARG  57           HE       ARG  57   4.168  -2.516 -14.087
  431   1HH1  ARG  57          1HH1      ARG  57   6.907  -2.443 -16.267
  432   2HH1  ARG  57          2HH1      ARG  57   5.931  -2.442 -17.707
  433   1HH2  ARG  57          1HH2      ARG  57   2.872  -2.507 -15.978
  434   2HH2  ARG  57          2HH2      ARG  57   3.640  -2.472 -17.539
  435    H    ILE  58           H        ILE  58   2.877  -0.189 -11.026
  436    HA   ILE  58           HA       ILE  58   1.540  -0.785 -13.569
  437    HB   ILE  58           HB       ILE  58  -0.058   1.074 -12.919
  438   1HG1  ILE  58          2HG1      ILE  58  -0.190   1.088 -10.253
  439   2HG1  ILE  58          1HG1      ILE  58   1.550   0.876 -10.419
  440   1HG2  ILE  58          1HG2      ILE  58  -0.725  -1.230 -12.854
  441   2HG2  ILE  58          2HG2      ILE  58  -1.382  -0.398 -11.445
  442   3HG2  ILE  58          3HG2      ILE  58   0.029  -1.444 -11.275
  443   1HD1  ILE  58          1HD1      ILE  58   1.000   3.211 -10.177
  444   2HD1  ILE  58          2HD1      ILE  58  -0.092   3.122 -11.560
  445   3HD1  ILE  58          3HD1      ILE  58   1.642   2.906 -11.793
  446    H    ASP  59           H        ASP  59   1.179   1.098 -14.976
  447    HA   ASP  59           HA       ASP  59   3.530   2.335 -15.748
  448   1HB   ASP  59          2HB       ASP  59   1.804   2.183 -17.332
  449   2HB   ASP  59          1HB       ASP  59   0.637   2.966 -16.269
  450    H    ASN  60           H        ASN  60   4.354   4.445 -15.586
  451    HA   ASN  60           HA       ASN  60   4.173   5.558 -12.993
  452   1HB   ASN  60          2HB       ASN  60   5.599   7.407 -13.924
  453   2HB   ASN  60          1HB       ASN  60   6.249   5.791 -14.146
  454   1HD2  ASN  60          1HD2      ASN  60   6.430   4.950 -16.191
  455   2HD2  ASN  60          2HD2      ASN  60   6.237   5.921 -17.613
  456    H    ALA  61           H        ALA  61   2.812   6.594 -16.116
  457    HA   ALA  61           HA       ALA  61   1.748   9.044 -15.149
  458   1HB   ALA  61          1HB       ALA  61   0.421   9.067 -17.198
  459   2HB   ALA  61          2HB       ALA  61   0.841   7.381 -17.501
  460   3HB   ALA  61          3HB       ALA  61   2.093   8.622 -17.540
  461    H    THR  62           H        THR  62   0.497   5.781 -15.442
  462    HA   THR  62           HA       THR  62  -2.112   6.152 -14.557
  463    HB   THR  62           HB       THR  62  -0.293   3.803 -13.967
  464    HG1  THR  62           HG1      THR  62  -0.563   4.416 -16.246
  465   1HG2  THR  62          1HG2      THR  62  -2.370   2.508 -13.866
  466   2HG2  THR  62          2HG2      THR  62  -3.304   3.987 -14.094
  467   3HG2  THR  62          3HG2      THR  62  -2.340   3.768 -12.632
  468    H    LEU  63           H        LEU  63   0.882   6.189 -12.764
  469    HA   LEU  63           HA       LEU  63  -0.205   5.899 -10.149
  470   1HB   LEU  63          2HB       LEU  63   2.187   5.572 -10.541
  471   2HB   LEU  63          1HB       LEU  63   2.351   7.243 -11.056
  472    HG   LEU  63           HG       LEU  63   1.449   7.794  -8.675
  473   1HD1  LEU  63          1HD1      LEU  63   0.826   5.565  -8.019
  474   2HD1  LEU  63          2HD1      LEU  63   2.132   6.142  -6.985
  475   3HD1  LEU  63          3HD1      LEU  63   2.474   4.994  -8.280
  476   1HD2  LEU  63          1HD2      LEU  63   4.239   6.728  -9.017
  477   2HD2  LEU  63          2HD2      LEU  63   3.691   7.886  -7.807
  478   3HD2  LEU  63          3HD2      LEU  63   3.692   8.328  -9.514
  479    H    ALA  64           H        ALA  64   0.813   8.681 -12.086
  480    HA   ALA  64           HA       ALA  64  -0.002  10.706 -10.348
  481   1HB   ALA  64          1HB       ALA  64   0.007  10.762 -13.364
  482   2HB   ALA  64          2HB       ALA  64   1.390  11.103 -12.326
  483   3HB   ALA  64          3HB       ALA  64  -0.017  12.166 -12.298
  484    H    GLU  65           H        GLU  65  -1.829   8.687 -12.536
  485    HA   GLU  65           HA       GLU  65  -4.206  10.259 -12.537
  486   1HB   GLU  65          2HB       GLU  65  -3.786   8.541 -14.236
  487   2HB   GLU  65          1HB       GLU  65  -3.838   7.290 -13.003
  488   1HG   GLU  65          2HG       GLU  65  -6.183   7.776 -12.585
  489   2HG   GLU  65          1HG       GLU  65  -6.137   9.075 -13.775
  490    H    LEU  66           H        LEU  66  -3.151   7.462 -10.639
  491    HA   LEU  66           HA       LEU  66  -5.443   7.256  -9.022
  492   1HB   LEU  66          2HB       LEU  66  -3.861   5.436  -9.230
  493   2HB   LEU  66          1HB       LEU  66  -2.585   6.414  -8.536
  494    HG   LEU  66           HG       LEU  66  -4.994   5.925  -6.852
  495   1HD1  LEU  66          1HD1      LEU  66  -4.572   3.724  -7.808
  496   2HD1  LEU  66          2HD1      LEU  66  -4.085   3.771  -6.113
  497   3HD1  LEU  66          3HD1      LEU  66  -2.865   3.855  -7.385
  498   1HD2  LEU  66          1HD2      LEU  66  -3.289   5.824  -5.098
  499   2HD2  LEU  66          2HD2      LEU  66  -3.155   7.309  -6.040
  500   3HD2  LEU  66          3HD2      LEU  66  -2.025   5.983  -6.317
  501    H    ASP  67           H        ASP  67  -2.356   8.930  -8.516
  502    HA   ASP  67           HA       ASP  67  -2.842   9.784  -5.882
  503   1HB   ASP  67          2HB       ASP  67  -0.625   9.799  -7.066
  504   2HB   ASP  67          1HB       ASP  67  -1.173  11.214  -7.954
  505    H    ALA  68           H        ALA  68  -3.320  11.415  -8.977
  506    HA   ALA  68           HA       ALA  68  -4.243  13.861  -7.961
  507   1HB   ALA  68          1HB       ALA  68  -3.409  13.506 -10.247
  508   2HB   ALA  68          2HB       ALA  68  -4.975  14.321 -10.215
  509   3HB   ALA  68          3HB       ALA  68  -4.879  12.605 -10.624
  510    H    LEU  69           H        LEU  69  -5.870  10.834  -8.530
  511    HA   LEU  69           HA       LEU  69  -8.495  12.008  -8.255
  512   1HB   LEU  69          2HB       LEU  69  -7.432   9.271  -8.739
  513   2HB   LEU  69          1HB       LEU  69  -9.057   9.432  -8.096
  514    HG   LEU  69           HG       LEU  69  -8.079  10.688 -10.660
  515   1HD1  LEU  69          1HD1      LEU  69  -9.868   8.302 -10.202
  516   2HD1  LEU  69          2HD1      LEU  69  -8.226   8.261 -10.846
  517   3HD1  LEU  69          3HD1      LEU  69  -9.513   9.044 -11.763
  518   1HD2  LEU  69          1HD2      LEU  69  -9.810  11.990  -9.569
  519   2HD2  LEU  69          2HD2      LEU  69 -10.808  10.549  -9.389
  520   3HD2  LEU  69          3HD2      LEU  69 -10.464  11.187 -10.998
  521    H    ARG  70           H        ARG  70  -6.180  10.402  -6.212
  522    HA   ARG  70           HA       ARG  70  -8.190   9.746  -4.244
  523   1HB   ARG  70          2HB       ARG  70  -6.343   8.191  -4.727
  524   2HB   ARG  70          1HB       ARG  70  -5.193   9.383  -4.139
  525   1HG   ARG  70          2HG       ARG  70  -6.195   9.253  -1.915
  526   2HG   ARG  70          1HG       ARG  70  -7.346   8.052  -2.506
  527   1HD   ARG  70          2HD       ARG  70  -4.348   7.784  -2.338
  528   2HD   ARG  70          1HD       ARG  70  -5.553   6.922  -1.381
  529    HE   ARG  70           HE       ARG  70  -5.515   6.577  -4.292
  530   1HH1  ARG  70          1HH1      ARG  70  -5.095   5.248  -1.083
  531   2HH1  ARG  70          2HH1      ARG  70  -5.037   3.609  -1.629
  532   1HH2  ARG  70          1HH2      ARG  70  -5.425   4.405  -5.012
  533   2HH2  ARG  70          2HH2      ARG  70  -5.199   3.126  -3.860
  534    H    THR  71           H        THR  71  -5.313  11.875  -4.359
  535    HA   THR  71           HA       THR  71  -6.207  12.950  -1.760
  536    HB   THR  71           HB       THR  71  -4.125  11.615  -1.619
  537    HG1  THR  71           HG1      THR  71  -2.933  13.877  -0.931
  538   1HG2  THR  71          1HG2      THR  71  -2.970  13.781  -3.371
  539   2HG2  THR  71          2HG2      THR  71  -3.167  12.081  -3.798
  540   3HG2  THR  71          3HG2      THR  71  -2.033  12.546  -2.529
  541    H    ARG  72           H        ARG  72  -6.764  13.886  -4.570
  542    HA   ARG  72           HA       ARG  72  -5.422  16.315  -5.018
  543   1HB   ARG  72          2HB       ARG  72  -6.757  15.387  -6.756
  544   2HB   ARG  72          1HB       ARG  72  -8.204  15.431  -5.774
  545   1HG   ARG  72          2HG       ARG  72  -8.468  17.708  -6.041
  546   2HG   ARG  72          1HG       ARG  72  -6.765  17.961  -6.431
  547   1HD   ARG  72          2HD       ARG  72  -8.646  16.426  -8.213
  548   2HD   ARG  72          1HD       ARG  72  -8.390  18.165  -8.362
  549    HE   ARG  72           HE       ARG  72  -5.881  17.008  -8.398
  550   1HH1  ARG  72          1HH1      ARG  72  -8.775  16.752 -10.371
  551   2HH1  ARG  72          2HH1      ARG  72  -7.885  16.512 -11.838
  552   1HH2  ARG  72          1HH2      ARG  72  -4.731  16.680 -10.327
  553   2HH2  ARG  72          2HH2      ARG  72  -5.601  16.473 -11.827
  554    H    GLY  73           H        GLY  73  -5.169  17.652  -3.382
  555   1HA   GLY  73          2HA       GLY  73  -6.358  19.639  -2.478
  556   2HA   GLY  73          1HA       GLY  73  -7.598  18.504  -1.964
  557    H    GLY  74           H        GLY  74  -5.374  16.526  -1.332
  558   1HA   GLY  74          2HA       GLY  74  -3.640  16.407   0.344
  559   2HA   GLY  74          1HA       GLY  74  -4.358  17.811   1.123
  560    H    GLU  75           H        GLU  75  -4.828  14.385   0.427
  561    HA   GLU  75           HA       GLU  75  -6.685  14.259   2.713
  562   1HB   GLU  75          2HB       GLU  75  -7.628  13.536   0.540
  563   2HB   GLU  75          1HB       GLU  75  -6.377  12.308   0.424
  564   1HG   GLU  75          2HG       GLU  75  -8.421  11.301   1.152
  565   2HG   GLU  75          1HG       GLU  75  -7.254  11.265   2.470
  566    H    TYR  76           H        TYR  76  -3.977  12.566   1.136
  567    HA   TYR  76           HA       TYR  76  -3.288  11.410   3.753
  568   1HB   TYR  76          2HB       TYR  76  -3.205   9.948   1.104
  569   2HB   TYR  76          1HB       TYR  76  -2.607   9.316   2.633
  570    HD1  TYR  76           HD1      TYR  76  -4.427   9.359   4.587
  571    HD2  TYR  76           HD2      TYR  76  -5.297   9.304   0.425
  572    HE1  TYR  76           HE1      TYR  76  -6.651   8.432   5.071
  573    HE2  TYR  76           HE2      TYR  76  -7.527   8.387   0.894
  574    HH   TYR  76           HH       TYR  76  -8.874   8.337   3.993
  575    H    ALA  77           H        ALA  77  -0.994  10.465   3.671
  576    HA   ALA  77           HA       ALA  77   0.714  12.269   2.090
  577   1HB   ALA  77          1HB       ALA  77   1.393  10.825   4.650
  578   2HB   ALA  77          2HB       ALA  77   0.976  12.532   4.513
  579   3HB   ALA  77          3HB       ALA  77   2.449  11.921   3.760
  580    H    ARG  78           H        ARG  78   2.600  11.394   1.129
  581    HA   ARG  78           HA       ARG  78   2.190   8.634   0.266
  582   1HB   ARG  78          2HB       ARG  78   4.142  10.709  -0.742
  583   2HB   ARG  78          1HB       ARG  78   3.832   9.142  -1.475
  584   1HG   ARG  78          2HG       ARG  78   1.559   9.813  -1.997
  585   2HG   ARG  78          1HG       ARG  78   1.826  11.372  -1.209
  586   1HD   ARG  78          2HD       ARG  78   3.713  11.742  -2.817
  587   2HD   ARG  78          1HD       ARG  78   3.176  10.303  -3.678
  588    HE   ARG  78           HE       ARG  78   1.047  11.491  -4.073
  589   1HH1  ARG  78          1HH1      ARG  78   3.911  13.342  -3.239
  590   2HH1  ARG  78          2HH1      ARG  78   3.340  14.802  -3.995
  591   1HH2  ARG  78          1HH2      ARG  78   0.293  13.400  -5.055
  592   2HH2  ARG  78          2HH2      ARG  78   1.271  14.843  -4.994
  593    H    GLN  79           H        GLN  79   3.116   7.136   1.477
  594    HA   GLN  79           HA       GLN  79   5.773   7.648   2.627
  595   1HB   GLN  79          2HB       GLN  79   3.860   6.823   4.099
  596   2HB   GLN  79          1HB       GLN  79   3.937   5.317   3.201
  597   1HG   GLN  79          2HG       GLN  79   6.279   5.042   3.899
  598   2HG   GLN  79          1HG       GLN  79   6.148   6.515   4.856
  599   1HE2  GLN  79          1HE2      GLN  79   3.602   4.133   4.519
  600   2HE2  GLN  79          2HE2      GLN  79   3.639   3.587   6.156
  601    H    LEU  80           H        LEU  80   7.264   7.118   1.128
  602    HA   LEU  80           HA       LEU  80   6.803   4.931  -0.696
  603   1HB   LEU  80          2HB       LEU  80   7.975   6.968  -1.437
  604   2HB   LEU  80          1HB       LEU  80   9.269   6.628  -0.302
  605    HG   LEU  80           HG       LEU  80   9.742   4.520  -1.514
  606   1HD1  LEU  80          1HD1      LEU  80   7.520   4.145  -2.450
  607   2HD1  LEU  80          2HD1      LEU  80   8.748   4.162  -3.716
  608   3HD1  LEU  80          3HD1      LEU  80   7.706   5.566  -3.479
  609   1HD2  LEU  80          1HD2      LEU  80  10.984   6.561  -2.027
  610   2HD2  LEU  80          2HD2      LEU  80   9.767   7.003  -3.225
  611   3HD2  LEU  80          3HD2      LEU  80  10.764   5.567  -3.468
  612    H    ILE  81           H        ILE  81   7.130   2.919  -0.141
  613    HA   ILE  81           HA       ILE  81   9.141   2.349   1.926
  614    HB   ILE  81           HB       ILE  81   7.902   0.201   2.266
  615   1HG1  ILE  81          2HG1      ILE  81   5.763   1.559   0.619
  616   2HG1  ILE  81          1HG1      ILE  81   6.749   0.231   0.037
  617   1HG2  ILE  81          1HG2      ILE  81   7.609   2.023   3.801
  618   2HG2  ILE  81          2HG2      ILE  81   6.033   1.281   3.512
  619   3HG2  ILE  81          3HG2      ILE  81   6.452   2.803   2.723
  620   1HD1  ILE  81          1HD1      ILE  81   4.861   0.106   2.374
  621   2HD1  ILE  81          2HD1      ILE  81   5.823  -1.230   1.739
  622   3HD1  ILE  81          3HD1      ILE  81   4.546  -0.515   0.753
  623    H    GLN  82           H        GLN  82  10.735   0.949   1.540
  624    HA   GLN  82           HA       GLN  82  11.222   0.314  -1.257
  625   1HB   GLN  82          2HB       GLN  82  12.850   1.265   0.654
  626   2HB   GLN  82          1HB       GLN  82  13.130  -0.449   0.907
  627   1HG   GLN  82          2HG       GLN  82  13.653   1.160  -1.575
  628   2HG   GLN  82          1HG       GLN  82  14.829   0.365  -0.531
  629   1HE2  GLN  82          1HE2      GLN  82  12.586   0.019  -3.101
  630   2HE2  GLN  82          2HE2      GLN  82  12.962  -1.623  -3.504
  631    H    THR  83           H        THR  83  10.055  -1.529  -1.850
  632    HA   THR  83           HA       THR  83  10.236  -3.843  -0.050
  633    HB   THR  83           HB       THR  83   8.387  -4.768  -1.092
  634    HG1  THR  83           HG1      THR  83   8.710  -3.137  -3.405
  635   1HG2  THR  83          1HG2      THR  83   7.699  -2.652  -0.090
  636   2HG2  THR  83          2HG2      THR  83   6.732  -3.006  -1.522
  637   3HG2  THR  83          3HG2      THR  83   8.028  -1.815  -1.608
  638    HA   PRO  84           HA       PRO  84  13.286  -5.997  -2.448
  639   1HB   PRO  84          2HB       PRO  84  11.531  -8.381  -2.510
  640   2HB   PRO  84          1HB       PRO  84  13.159  -8.200  -1.849
  641   1HG   PRO  84          2HG       PRO  84  11.039  -8.407  -0.242
  642   2HG   PRO  84          1HG       PRO  84  12.394  -7.336   0.157
  643   1HD   PRO  84          2HD       PRO  84   9.705  -6.652  -0.970
  644   2HD   PRO  84          1HD       PRO  84  10.664  -5.799   0.258
  645    H    TYR  85           H        TYR  85  10.062  -5.704  -3.555
  646    HA   TYR  85           HA       TYR  85  10.772  -6.597  -6.260
  647   1HB   TYR  85          2HB       TYR  85   8.059  -5.888  -5.109
  648   2HB   TYR  85          1HB       TYR  85   8.360  -6.544  -6.714
  649    HD1  TYR  85           HD1      TYR  85   9.030  -8.894  -6.987
  650    HD2  TYR  85           HD2      TYR  85   8.093  -7.298  -3.157
  651    HE1  TYR  85           HE1      TYR  85   8.832 -11.175  -6.091
  652    HE2  TYR  85           HE2      TYR  85   7.902  -9.575  -2.247
  653    HH   TYR  85           HH       TYR  85   8.922 -12.349  -4.020
  654    H    GLY  86           H        GLY  86  11.147  -3.949  -4.550
  655   1HA   GLY  86          2HA       GLY  86  11.897  -1.990  -5.862
  656   2HA   GLY  86          1HA       GLY  86  10.392  -2.138  -6.757
  657    H    SER  87           H        SER  87  11.349   0.172  -5.300
  658    HA   SER  87           HA       SER  87  10.001   0.427  -2.838
  659   1HB   SER  87          2HB       SER  87  10.701   2.632  -4.764
  660   2HB   SER  87          1HB       SER  87  10.513   2.759  -3.020
  661    HG   SER  87           HG       SER  87  12.734   2.626  -3.861
  662    H    ALA  88           H        ALA  88   7.925   0.783  -2.396
  663    HA   ALA  88           HA       ALA  88   6.123   1.435  -4.639
  664   1HB   ALA  88          1HB       ALA  88   5.572  -0.415  -2.321
  665   2HB   ALA  88          2HB       ALA  88   5.900  -0.908  -3.983
  666   3HB   ALA  88          3HB       ALA  88   4.437   0.001  -3.605
  667    H    TRP  89           H        TRP  89   4.368   2.760  -4.196
  668    HA   TRP  89           HA       TRP  89   4.760   4.567  -1.983
  669   1HB   TRP  89          2HB       TRP  89   2.790   4.539  -4.271
  670   2HB   TRP  89          1HB       TRP  89   2.804   5.780  -3.026
  671    HD1  TRP  89           HD1      TRP  89   4.357   4.896  -6.271
  672    HE1  TRP  89           HE1      TRP  89   6.187   6.604  -6.842
  673    HE3  TRP  89           HE3      TRP  89   4.733   7.255  -1.754
  674    HZ2  TRP  89           HZ2      TRP  89   7.617   8.675  -5.563
  675    HZ3  TRP  89           HZ3      TRP  89   6.356   9.088  -1.509
  676    HH2  TRP  89           HH2      TRP  89   7.769   9.783  -3.374
  677    H    MET  90           H        MET  90   3.858   4.387  -0.091
  678    HA   MET  90           HA       MET  90   1.316   2.923   0.214
  679   1HB   MET  90          2HB       MET  90   3.413   2.160   1.461
  680   2HB   MET  90          1HB       MET  90   3.297   3.656   2.379
  681   1HG   MET  90          2HG       MET  90   1.124   2.985   3.227
  682   2HG   MET  90          1HG       MET  90   1.195   1.503   2.273
  683   1HE   MET  90          1HE       MET  90   0.594   1.315   5.316
  684   2HE   MET  90          2HE       MET  90   1.704   0.048   5.840
  685   3HE   MET  90          3HE       MET  90   0.846  -0.110   4.308
  686    H    TYR  91           H        TYR  91  -0.458   4.128   0.777
  687    HA   TYR  91           HA       TYR  91  -0.006   6.941   1.412
  688   1HB   TYR  91          2HB       TYR  91  -2.445   5.415   0.525
  689   2HB   TYR  91          1HB       TYR  91  -2.562   7.055   1.153
  690    HD1  TYR  91           HD1      TYR  91  -1.552   8.936  -0.088
  691    HD2  TYR  91           HD2      TYR  91  -1.569   4.982  -1.671
  692    HE1  TYR  91           HE1      TYR  91  -1.044   9.834  -2.324
  693    HE2  TYR  91           HE2      TYR  91  -1.069   5.872  -3.907
  694    HH   TYR  91           HH       TYR  91  -0.372   9.285  -4.428
  695    H    VAL  92           H        VAL  92   0.016   7.619   3.406
  696    HA   VAL  92           HA       VAL  92  -1.127   5.922   5.508
  697    HB   VAL  92           HB       VAL  92   1.175   7.810   5.407
  698   1HG1  VAL  92          1HG1      VAL  92  -0.196   8.799   7.186
  699   2HG1  VAL  92          2HG1      VAL  92   1.250   8.028   7.835
  700   3HG1  VAL  92          3HG1      VAL  92  -0.312   7.222   7.967
  701   1HG2  VAL  92          1HG2      VAL  92   0.657   5.226   6.859
  702   2HG2  VAL  92          2HG2      VAL  92   2.208   6.062   6.731
  703   3HG2  VAL  92          3HG2      VAL  92   1.452   5.388   5.288
  704    H    TYR  93           H        TYR  93  -2.525   6.568   6.932
  705    HA   TYR  93           HA       TYR  93  -4.457   8.439   6.514
  706   1HB   TYR  93          2HB       TYR  93  -5.225   7.412   8.346
  707   2HB   TYR  93          1HB       TYR  93  -3.675   6.631   8.534
  708    HD1  TYR  93           HD1      TYR  93  -5.587   9.661   9.535
  709    HD2  TYR  93           HD2      TYR  93  -2.265   7.132  10.347
  710    HE1  TYR  93           HE1      TYR  93  -5.210  10.843  11.656
  711    HE2  TYR  93           HE2      TYR  93  -1.884   8.305  12.476
  712    HH   TYR  93           HH       TYR  93  -2.378  10.555  13.459
  713    H    GLN  94           H        GLN  94  -4.567  10.611   6.611
  714    HA   GLN  94           HA       GLN  94  -2.372  11.996   7.986
  715   1HB   GLN  94          2HB       GLN  94  -2.557  11.870   5.314
  716   2HB   GLN  94          1HB       GLN  94  -3.574  13.276   5.599
  717   1HG   GLN  94          2HG       GLN  94  -1.219  13.841   5.132
  718   2HG   GLN  94          1HG       GLN  94  -1.783  14.427   6.694
  719   1HE2  GLN  94          1HE2      GLN  94  -0.976  11.070   6.099
  720   2HE2  GLN  94          2HE2      GLN  94   0.438  11.041   7.082
  721    H    ARG  95           H        ARG  95  -5.555  11.430   8.096
  722    HA   ARG  95           HA       ARG  95  -6.029  13.946   9.504
  723   1HB   ARG  95          2HB       ARG  95  -8.017  12.660   7.614
  724   2HB   ARG  95          1HB       ARG  95  -8.355  14.028   8.667
  725   1HG   ARG  95          2HG       ARG  95  -6.418  15.189   7.456
  726   2HG   ARG  95          1HG       ARG  95  -6.586  13.914   6.251
  727   1HD   ARG  95          2HD       ARG  95  -8.777  15.788   7.135
  728   2HD   ARG  95          1HD       ARG  95  -7.829  15.951   5.659
  729    HE   ARG  95           HE       ARG  95  -8.807  13.592   5.191
  730   1HH1  ARG  95          1HH1      ARG  95 -10.460  16.236   6.812
  731   2HH1  ARG  95          2HH1      ARG  95 -12.024  15.789   6.195
  732   1HH2  ARG  95          1HH2      ARG  95 -10.863  13.017   4.404
  733   2HH2  ARG  95          2HH2      ARG  95 -12.253  13.965   4.843
  734    HA   PRO  96           HA       PRO  96  -6.760  11.907  13.202
  735   1HB   PRO  96          2HB       PRO  96  -9.575  12.738  13.215
  736   2HB   PRO  96          1HB       PRO  96  -8.276  13.137  14.337
  737   1HG   PRO  96          2HG       PRO  96  -9.271  14.677  12.104
  738   2HG   PRO  96          1HG       PRO  96  -8.072  15.139  13.321
  739   1HD   PRO  96          2HD       PRO  96  -7.482  14.752  10.681
  740   2HD   PRO  96          1HD       PRO  96  -6.308  14.514  11.992
  741    H    VAL  97           H        VAL  97  -7.014   9.851  13.629
  742    HA   VAL  97           HA       VAL  97  -8.949   8.229  12.162
  743    HB   VAL  97           HB       VAL  97  -7.868   6.306  13.360
  744   1HG1  VAL  97          1HG1      VAL  97  -7.162   6.905  11.125
  745   2HG1  VAL  97          2HG1      VAL  97  -5.779   6.380  12.084
  746   3HG1  VAL  97          3HG1      VAL  97  -6.037   8.097  11.777
  747   1HG2  VAL  97          1HG2      VAL  97  -5.723   6.705  14.485
  748   2HG2  VAL  97          2HG2      VAL  97  -7.067   7.474  15.328
  749   3HG2  VAL  97          3HG2      VAL  97  -5.979   8.444  14.335
  750    H    ASP  98           H        ASP  98  -9.509  10.171  14.469
  751    HA   ASP  98           HA       ASP  98 -10.321   8.737  16.728
  752   1HB   ASP  98          2HB       ASP  98 -10.069  11.159  16.766
  753   2HB   ASP  98          1HB       ASP  98 -11.389  11.338  15.615
  754    H    GLY  99           H        GLY  99 -11.680   7.085  16.701
  755   1HA   GLY  99          2HA       GLY  99 -13.853   6.211  16.713
  756   2HA   GLY  99          1HA       GLY  99 -14.370   7.527  15.672
  757    H    LEU 100           H        LEU 100 -11.536   5.718  14.784
  758    HA   LEU 100           HA       LEU 100 -13.058   4.574  12.560
  759   1HB   LEU 100          2HB       LEU 100 -10.074   4.768  12.962
  760   2HB   LEU 100          1HB       LEU 100 -10.865   4.109  11.543
  761    HG   LEU 100           HG       LEU 100 -10.827   6.976  12.462
  762   1HD1  LEU 100          1HD1      LEU 100  -8.881   6.214  11.202
  763   2HD1  LEU 100          2HD1      LEU 100  -9.837   7.363  10.269
  764   3HD1  LEU 100          3HD1      LEU 100  -9.935   5.639   9.911
  765   1HD2  LEU 100          1HD2      LEU 100 -12.276   7.457  10.539
  766   2HD2  LEU 100          2HD2      LEU 100 -13.081   6.463  11.753
  767   3HD2  LEU 100          3HD2      LEU 100 -12.469   5.724  10.276
  768    H    LYS 101           H        LYS 101 -12.359   2.362  11.831
  769    HA   LYS 101           HA       LYS 101 -12.097   0.620  14.171
  770   1HB   LYS 101          2HB       LYS 101 -13.007   0.081  11.348
  771   2HB   LYS 101          1HB       LYS 101 -12.728  -1.194  12.527
  772   1HG   LYS 101          2HG       LYS 101 -14.452  -0.310  13.956
  773   2HG   LYS 101          1HG       LYS 101 -14.675   1.073  12.882
  774   1HD   LYS 101          2HD       LYS 101 -15.074  -1.789  12.025
  775   2HD   LYS 101          1HD       LYS 101 -16.375  -0.761  12.632
  776   1HE   LYS 101          2HE       LYS 101 -14.654  -0.196  10.218
  777   2HE   LYS 101          1HE       LYS 101 -16.317  -0.784  10.186
  778   1HZ   LYS 101          1HZ       LYS 101 -15.334   1.863  11.085
  779   2HZ   LYS 101          2HZ       LYS 101 -16.876   1.293  11.485
  780   3HZ   LYS 101          3HZ       LYS 101 -16.454   1.520   9.857
  781    H    LEU 102           H        LEU 102 -10.515  -0.907  14.349
  782    HA   LEU 102           HA       LEU 102  -8.209  -0.490  12.562
  783   1HB   LEU 102          2HB       LEU 102  -7.683   0.475  14.656
  784   2HB   LEU 102          1HB       LEU 102  -8.362  -0.873  15.540
  785    HG   LEU 102           HG       LEU 102  -6.497  -2.302  14.717
  786   1HD1  LEU 102          1HD1      LEU 102  -4.547  -1.242  13.731
  787   2HD1  LEU 102          2HD1      LEU 102  -5.394   0.303  13.680
  788   3HD1  LEU 102          3HD1      LEU 102  -5.958  -1.048  12.693
  789   1HD2  LEU 102          1HD2      LEU 102  -4.802  -1.350  16.178
  790   2HD2  LEU 102          2HD2      LEU 102  -6.402  -1.234  16.911
  791   3HD2  LEU 102          3HD2      LEU 102  -5.656   0.191  16.185
  792    H    ILE 103           H        ILE 103  -7.548  -2.196  11.479
  793    HA   ILE 103           HA       ILE 103  -8.172  -4.875  12.481
  794    HB   ILE 103           HB       ILE 103  -7.030  -4.152   9.769
  795   1HG1  ILE 103          2HG1      ILE 103  -9.906  -4.762  10.502
  796   2HG1  ILE 103          1HG1      ILE 103  -9.284  -3.179  10.042
  797   1HG2  ILE 103          1HG2      ILE 103  -7.596  -6.402   9.147
  798   2HG2  ILE 103          2HG2      ILE 103  -8.377  -6.685  10.701
  799   3HG2  ILE 103          3HG2      ILE 103  -6.631  -6.454  10.622
  800   1HD1  ILE 103          1HD1      ILE 103  -9.376  -5.632   8.293
  801   2HD1  ILE 103          2HD1      ILE 103  -8.707  -4.067   7.831
  802   3HD1  ILE 103          3HD1      ILE 103 -10.427  -4.218   8.184
  803    H    GLU 104           H        GLU 104  -6.624  -4.907  14.095
  804    HA   GLU 104           HA       GLU 104  -3.897  -4.238  13.710
  805   1HB   GLU 104          2HB       GLU 104  -3.504  -5.272  15.872
  806   2HB   GLU 104          1HB       GLU 104  -4.954  -4.285  15.936
  807   1HG   GLU 104          2HG       GLU 104  -4.949  -7.274  15.597
  808   2HG   GLU 104          1HG       GLU 104  -5.134  -6.443  17.139
  809    H    SER 105           H        SER 105  -5.736  -6.854  12.690
  810    HA   SER 105           HA       SER 105  -3.751  -8.894  12.735
  811   1HB   SER 105          2HB       SER 105  -6.151  -9.418  12.490
  812   2HB   SER 105          1HB       SER 105  -6.169  -8.601  10.928
  813    HG   SER 105           HG       SER 105  -5.880 -11.026  11.038
  814    H    GLY 106           H        GLY 106  -4.920  -6.699  10.197
  815   1HA   GLY 106          2HA       GLY 106  -3.326  -5.525   8.817
  816   2HA   GLY 106          1HA       GLY 106  -2.291  -6.939   8.899
  817    H    ASP 107           H        ASP 107  -5.027  -8.455   8.531
  818    HA   ASP 107           HA       ASP 107  -4.986  -8.229   5.605
  819   1HB   ASP 107          2HB       ASP 107  -4.408 -10.464   6.436
  820   2HB   ASP 107          1HB       ASP 107  -5.935 -10.546   7.305
  821    H    TRP 108           H        TRP 108  -6.930  -8.327   4.461
  822    HA   TRP 108           HA       TRP 108  -8.902  -6.555   5.522
  823   1HB   TRP 108          2HB       TRP 108  -9.683  -7.900   3.071
  824   2HB   TRP 108          1HB       TRP 108  -9.306  -6.203   3.328
  825    HD1  TRP 108           HD1      TRP 108  -8.044  -9.194   1.618
  826    HE1  TRP 108           HE1      TRP 108  -5.621  -8.799   0.786
  827    HE3  TRP 108           HE3      TRP 108  -6.990  -4.954   4.212
  828    HZ2  TRP 108           HZ2      TRP 108  -3.543  -6.916   1.211
  829    HZ3  TRP 108           HZ3      TRP 108  -4.790  -3.925   3.989
  830    HH2  TRP 108           HH2      TRP 108  -3.087  -4.882   2.510
  831    H    LEU 109           H        LEU 109  -8.580  -9.957   5.056
  832    HA   LEU 109           HA       LEU 109 -11.446 -10.386   5.358
  833   1HB   LEU 109          2HB       LEU 109  -9.239 -12.235   4.457
  834   2HB   LEU 109          1HB       LEU 109 -10.948 -12.649   4.509
  835    HG   LEU 109           HG       LEU 109 -10.080 -10.261   2.936
  836   1HD1  LEU 109          1HD1      LEU 109  -9.759 -11.652   0.969
  837   2HD1  LEU 109          2HD1      LEU 109  -9.916 -13.103   1.963
  838   3HD1  LEU 109          3HD1      LEU 109  -8.562 -11.998   2.214
  839   1HD2  LEU 109          1HD2      LEU 109 -12.004 -10.892   1.568
  840   2HD2  LEU 109          2HD2      LEU 109 -12.456 -10.687   3.259
  841   3HD2  LEU 109          3HD2      LEU 109 -12.268 -12.308   2.588
  842    H    ASP 110           H        ASP 110  -8.666 -12.378   6.254
  843    HA   ASP 110           HA       ASP 110  -7.828 -13.150   8.204
  844   1HB   ASP 110          2HB       ASP 110  -7.730 -10.876   8.949
  845   2HB   ASP 110          1HB       ASP 110  -9.441 -10.885   9.364
  846    H    ARG 111           H        ARG 111 -11.301 -12.577   8.463
  847    HA   ARG 111           HA       ARG 111 -11.492 -14.221  10.812
  848   1HB   ARG 111          2HB       ARG 111 -13.616 -12.801   9.223
  849   2HB   ARG 111          1HB       ARG 111 -13.840 -13.539  10.808
  850   1HG   ARG 111          2HG       ARG 111 -12.061 -12.035  11.677
  851   2HG   ARG 111          1HG       ARG 111 -12.058 -11.221  10.116
  852   1HD   ARG 111          2HD       ARG 111 -14.350 -10.556  10.399
  853   2HD   ARG 111          1HD       ARG 111 -14.478 -11.497  11.885
  854    HE   ARG 111           HE       ARG 111 -12.420  -9.765  12.362
  855   1HH1  ARG 111          1HH1      ARG 111 -15.755  -9.401  11.337
  856   2HH1  ARG 111          2HH1      ARG 111 -15.958  -7.868  12.136
  857   1HH2  ARG 111          1HH2      ARG 111 -12.700  -7.727  13.414
  858   2HH2  ARG 111          2HH2      ARG 111 -14.238  -6.917  13.284
  859    H    ASP 112           H        ASP 112 -11.093 -15.245   7.861
  860    HA   ASP 112           HA       ASP 112 -12.982 -17.440   8.050
  861   1HB   ASP 112          2HB       ASP 112 -11.781 -18.332   6.070
  862   2HB   ASP 112          1HB       ASP 112 -12.414 -16.718   5.809
  863    H    LYS 113           H        LYS 113 -10.054 -16.472   9.292
  864    HA   LYS 113           HA       LYS 113  -8.409 -17.353  10.535
  865   1HB   LYS 113          2HB       LYS 113  -9.037 -18.795  12.271
  866   2HB   LYS 113          1HB       LYS 113 -10.396 -17.750  11.938
  867   1HG   LYS 113          2HG       LYS 113 -11.349 -19.682  10.590
  868   2HG   LYS 113          1HG       LYS 113 -10.100 -20.672  11.349
  869   1HD   LYS 113          2HD       LYS 113 -10.953 -19.858  13.571
  870   2HD   LYS 113          1HD       LYS 113 -12.310 -19.136  12.705
  871   1HE   LYS 113          2HE       LYS 113 -13.062 -21.234  13.493
  872   2HE   LYS 113          1HE       LYS 113 -12.774 -21.424  11.764
  873   1HZ   LYS 113          1HZ       LYS 113 -11.913 -23.288  13.075
  874   2HZ   LYS 113          2HZ       LYS 113 -10.874 -22.233  13.899
  875   3HZ   LYS 113          3HZ       LYS 113 -10.679 -22.489  12.235
  Start of MODEL    2
    1   1H    MET   1          1HT       MET   1   6.079   2.799 -13.254
    2   2H    MET   1          2HT       MET   1   4.840   1.678 -12.975
    3   3H    MET   1          3HT       MET   1   6.444   1.268 -12.627
    4    HA   MET   1           HA       MET   1   6.537   2.945 -10.924
    5   1HB   MET   1          2HB       MET   1   4.850   4.451 -11.907
    6   2HB   MET   1          1HB       MET   1   3.594   3.297 -11.470
    7   1HG   MET   1          2HG       MET   1   3.802   5.188  -9.897
    8   2HG   MET   1          1HG       MET   1   4.025   3.610  -9.143
    9   1HE   MET   1          1HE       MET   1   5.863   6.790 -10.570
   10   2HE   MET   1          2HE       MET   1   6.683   5.463 -11.391
   11   3HE   MET   1          3HE       MET   1   7.547   6.422 -10.189
   12    H    ARG   2           H        ARG   2   6.210   2.217  -8.800
   13    HA   ARG   2           HA       ARG   2   4.682  -0.282  -8.595
   14   1HB   ARG   2          2HB       ARG   2   7.284   0.594  -7.438
   15   2HB   ARG   2          1HB       ARG   2   6.298  -0.546  -6.537
   16   1HG   ARG   2          2HG       ARG   2   6.457  -2.177  -8.196
   17   2HG   ARG   2          1HG       ARG   2   6.986  -1.013  -9.412
   18   1HD   ARG   2          2HD       ARG   2   8.599  -1.698  -6.966
   19   2HD   ARG   2          1HD       ARG   2   8.772  -2.544  -8.504
   20    HE   ARG   2           HE       ARG   2   9.060   0.370  -8.499
   21   1HH1  ARG   2          1HH1      ARG   2  10.579  -2.788  -8.604
   22   2HH1  ARG   2          2HH1      ARG   2  12.035  -2.205  -9.357
   23   1HH2  ARG   2          1HH2      ARG   2  10.980   1.144  -9.485
   24   2HH2  ARG   2          2HH2      ARG   2  12.268   0.034  -9.836
   25    H    ILE   3           H        ILE   3   3.043  -0.357  -7.242
   26    HA   ILE   3           HA       ILE   3   2.881   1.640  -5.086
   27    HB   ILE   3           HB       ILE   3   0.578   0.705  -6.822
   28   1HG1  ILE   3          2HG1      ILE   3   1.859   3.439  -6.576
   29   2HG1  ILE   3          1HG1      ILE   3   2.053   2.345  -7.940
   30   1HG2  ILE   3          1HG2      ILE   3  -0.777   2.305  -5.548
   31   2HG2  ILE   3          2HG2      ILE   3   0.610   2.653  -4.515
   32   3HG2  ILE   3          3HG2      ILE   3  -0.111   1.044  -4.512
   33   1HD1  ILE   3          1HD1      ILE   3  -0.326   2.526  -8.431
   34   2HD1  ILE   3          2HD1      ILE   3   0.452   4.110  -8.421
   35   3HD1  ILE   3          3HD1      ILE   3  -0.532   3.602  -7.049
   36    H    PHE   4           H        PHE   4   2.170   0.875  -3.140
   37    HA   PHE   4           HA       PHE   4   1.841  -2.028  -2.941
   38   1HB   PHE   4          2HB       PHE   4   3.545  -0.872  -1.509
   39   2HB   PHE   4          1HB       PHE   4   2.231  -0.008  -0.720
   40    HD1  PHE   4           HD1      PHE   4   3.849  -3.266  -1.163
   41    HD2  PHE   4           HD2      PHE   4   0.803  -1.100   0.872
   42    HE1  PHE   4           HE1      PHE   4   3.598  -5.125   0.426
   43    HE2  PHE   4           HE2      PHE   4   0.544  -2.956   2.466
   44    HZ   PHE   4           HZ       PHE   4   1.945  -4.972   2.244
   45    H    VAL   5           H        VAL   5  -0.197  -2.704  -3.060
   46    HA   VAL   5           HA       VAL   5  -2.324  -0.857  -2.285
   47    HB   VAL   5           HB       VAL   5  -2.557  -3.480  -3.761
   48   1HG1  VAL   5          1HG1      VAL   5  -4.627  -2.951  -2.683
   49   2HG1  VAL   5          2HG1      VAL   5  -4.792  -2.551  -4.393
   50   3HG1  VAL   5          3HG1      VAL   5  -4.533  -1.272  -3.210
   51   1HG2  VAL   5          1HG2      VAL   5  -1.270  -1.864  -5.037
   52   2HG2  VAL   5          2HG2      VAL   5  -2.524  -0.650  -4.796
   53   3HG2  VAL   5          3HG2      VAL   5  -2.863  -2.089  -5.759
   54    H    TYR   6           H        TYR   6  -2.816  -0.957  -0.253
   55    HA   TYR   6           HA       TYR   6  -2.766  -3.443   1.226
   56   1HB   TYR   6          2HB       TYR   6  -3.611  -1.760   3.080
   57   2HB   TYR   6          1HB       TYR   6  -1.922  -1.776   2.583
   58    HD1  TYR   6           HD1      TYR   6  -4.912   0.189   2.861
   59    HD2  TYR   6           HD2      TYR   6  -1.158  -0.047   0.870
   60    HE1  TYR   6           HE1      TYR   6  -5.067   2.573   2.287
   61    HE2  TYR   6           HE2      TYR   6  -1.305   2.337   0.298
   62    HH   TYR   6           HH       TYR   6  -3.188   4.460   1.727
   63    H    GLY   7           H        GLY   7  -4.430  -4.380  -0.104
   64   1HA   GLY   7          2HA       GLY   7  -6.825  -4.762   1.110
   65   2HA   GLY   7          1HA       GLY   7  -7.124  -3.390   0.044
   66    H    SER   8           H        SER   8  -8.375  -5.938  -0.229
   67    HA   SER   8           HA       SER   8  -7.079  -7.459  -2.247
   68   1HB   SER   8          2HB       SER   8  -8.875  -8.342  -0.757
   69   2HB   SER   8          1HB       SER   8 -10.041  -7.350  -1.629
   70    HG   SER   8           HG       SER   8  -8.982  -9.758  -2.299
   71    H    LEU   9           H        LEU   9  -6.401  -6.073  -3.862
   72    HA   LEU   9           HA       LEU   9  -8.244  -4.332  -5.236
   73   1HB   LEU   9          2HB       LEU   9  -5.707  -4.029  -4.867
   74   2HB   LEU   9          1HB       LEU   9  -5.508  -5.149  -6.193
   75    HG   LEU   9           HG       LEU   9  -5.320  -2.675  -6.737
   76   1HD1  LEU   9          1HD1      LEU   9  -7.362  -4.268  -8.275
   77   2HD1  LEU   9          2HD1      LEU   9  -5.613  -4.387  -8.458
   78   3HD1  LEU   9          3HD1      LEU   9  -6.442  -2.890  -8.876
   79   1HD2  LEU   9          1HD2      LEU   9  -7.449  -1.498  -7.141
   80   2HD2  LEU   9          2HD2      LEU   9  -7.170  -1.835  -5.433
   81   3HD2  LEU   9          3HD2      LEU   9  -8.309  -2.821  -6.352
   82    H    ARG  10           H        ARG  10  -6.931  -7.519  -5.604
   83    HA   ARG  10           HA       ARG  10  -7.558  -8.012  -8.287
   84   1HB   ARG  10          2HB       ARG  10  -7.201  -9.778  -5.887
   85   2HB   ARG  10          1HB       ARG  10  -7.687 -10.459  -7.436
   86   1HG   ARG  10          2HG       ARG  10  -5.681  -9.784  -8.474
   87   2HG   ARG  10          1HG       ARG  10  -5.254  -8.725  -7.130
   88   1HD   ARG  10          2HD       ARG  10  -5.514 -11.710  -6.850
   89   2HD   ARG  10          1HD       ARG  10  -3.999 -10.913  -7.273
   90    HE   ARG  10           HE       ARG  10  -5.081  -9.717  -4.956
   91   1HH1  ARG  10          1HH1      ARG  10  -3.537 -12.711  -5.973
   92   2HH1  ARG  10          2HH1      ARG  10  -2.811 -12.979  -4.416
   93   1HH2  ARG  10          1HH2      ARG  10  -4.158 -10.105  -2.946
   94   2HH2  ARG  10          2HH2      ARG  10  -3.157 -11.514  -2.705
   95    H    HIS  11           H        HIS  11  -9.617  -7.819  -5.505
   96    HA   HIS  11           HA       HIS  11 -11.819  -9.073  -6.948
   97   1HB   HIS  11          2HB       HIS  11 -11.461  -8.194  -4.106
   98   2HB   HIS  11          1HB       HIS  11 -13.078  -8.441  -4.754
   99    HD1  HIS  11           HD1      HIS  11 -13.917 -10.809  -4.889
  100    HD2  HIS  11           HD2      HIS  11  -9.839 -10.593  -4.099
  101    HE1  HIS  11           HE1      HIS  11 -13.202 -13.160  -4.351
  102    HE2  HIS  11           HE2      HIS  11 -10.706 -13.027  -4.024
  103    H    LYS  12           H        LYS  12 -11.031  -5.892  -5.513
  104    HA   LYS  12           HA       LYS  12 -13.363  -4.806  -6.915
  105   1HB   LYS  12          2HB       LYS  12 -11.769  -3.869  -4.574
  106   2HB   LYS  12          1HB       LYS  12 -12.605  -2.677  -5.555
  107   1HG   LYS  12          2HG       LYS  12 -14.716  -3.953  -5.182
  108   2HG   LYS  12          1HG       LYS  12 -13.832  -4.981  -4.052
  109   1HD   LYS  12          2HD       LYS  12 -13.373  -3.123  -2.616
  110   2HD   LYS  12          1HD       LYS  12 -13.996  -1.980  -3.805
  111   1HE   LYS  12          2HE       LYS  12 -15.614  -2.307  -2.031
  112   2HE   LYS  12          1HE       LYS  12 -16.236  -2.959  -3.546
  113   1HZ   LYS  12          1HZ       LYS  12 -14.918  -4.614  -1.466
  114   2HZ   LYS  12          2HZ       LYS  12 -15.772  -5.159  -2.829
  115   3HZ   LYS  12          3HZ       LYS  12 -16.597  -4.392  -1.562
  116    H    GLN  13           H        GLN  13 -12.567  -4.724  -9.010
  117    HA   GLN  13           HA       GLN  13 -10.269  -3.086  -9.639
  118   1HB   GLN  13          2HB       GLN  13 -12.440  -4.289 -11.372
  119   2HB   GLN  13          1HB       GLN  13 -11.077  -3.370 -11.998
  120   1HG   GLN  13          2HG       GLN  13 -10.882  -5.929 -10.422
  121   2HG   GLN  13          1HG       GLN  13 -10.736  -5.787 -12.174
  122   1HE2  GLN  13          1HE2      GLN  13  -8.812  -6.749 -10.183
  123   2HE2  GLN  13          2HE2      GLN  13  -7.401  -5.773 -10.383
  124    H    GLY  14           H        GLY  14 -10.589  -1.048  -8.892
  125   1HA   GLY  14          2HA       GLY  14 -13.088   0.291  -8.934
  126   2HA   GLY  14          1HA       GLY  14 -11.531   1.025  -8.588
  127    H    ASN  15           H        ASN  15 -10.250   0.529 -11.018
  128    HA   ASN  15           HA       ASN  15 -11.879   1.887 -13.019
  129   1HB   ASN  15          2HB       ASN  15 -10.673   3.634 -11.738
  130   2HB   ASN  15          1HB       ASN  15  -9.149   2.839 -12.116
  131   1HD2  ASN  15          1HD2      ASN  15 -11.831   4.640 -13.398
  132   2HD2  ASN  15          2HD2      ASN  15 -11.047   5.130 -14.855
  133    H    SER  16           H        SER  16 -10.998   1.700 -15.174
  134    HA   SER  16           HA       SER  16 -10.017  -0.795 -15.839
  135   1HB   SER  16          2HB       SER  16  -9.730   1.761 -17.435
  136   2HB   SER  16          1HB       SER  16  -9.634   0.121 -18.077
  137    HG   SER  16           HG       SER  16 -11.857  -0.019 -16.978
  138    H    HIS  17           H        HIS  17  -8.232   2.131 -15.045
  139    HA   HIS  17           HA       HIS  17  -5.708   1.434 -16.028
  140   1HB   HIS  17          2HB       HIS  17  -6.603   3.185 -13.762
  141   2HB   HIS  17          1HB       HIS  17  -4.889   2.877 -14.019
  142    HD1  HIS  17           HD1      HIS  17  -7.821   4.672 -15.488
  143    HD2  HIS  17           HD2      HIS  17  -3.776   4.125 -16.263
  144    HE1  HIS  17           HE1      HIS  17  -7.243   6.340 -17.274
  145    HE2  HIS  17           HE2      HIS  17  -4.740   6.178 -17.507
  146    H    TRP  18           H        TRP  18  -7.384   0.385 -13.160
  147    HA   TRP  18           HA       TRP  18  -5.137  -0.643 -11.775
  148   1HB   TRP  18          2HB       TRP  18  -8.094  -1.023 -11.565
  149   2HB   TRP  18          1HB       TRP  18  -7.010  -2.051 -10.640
  150    HD1  TRP  18           HD1      TRP  18  -9.050   0.728  -9.980
  151    HE1  TRP  18           HE1      TRP  18  -8.109   2.241  -8.122
  152    HE3  TRP  18           HE3      TRP  18  -4.209  -0.887 -10.009
  153    HZ2  TRP  18           HZ2      TRP  18  -5.632   2.681  -6.837
  154    HZ3  TRP  18           HZ3      TRP  18  -2.612   0.123  -8.431
  155    HH2  TRP  18           HH2      TRP  18  -3.312   1.877  -6.882
  156    H    MET  19           H        MET  19  -7.577  -2.153 -13.855
  157    HA   MET  19           HA       MET  19  -6.404  -4.751 -13.666
  158   1HB   MET  19          2HB       MET  19  -8.792  -4.469 -14.073
  159   2HB   MET  19          1HB       MET  19  -8.459  -3.646 -15.590
  160   1HG   MET  19          2HG       MET  19  -7.438  -5.702 -16.459
  161   2HG   MET  19          1HG       MET  19  -7.839  -6.517 -14.948
  162   1HE   MET  19          1HE       MET  19  -8.636  -7.467 -17.901
  163   2HE   MET  19          2HE       MET  19 -10.293  -8.017 -17.655
  164   3HE   MET  19          3HE       MET  19  -9.046  -8.402 -16.467
  165    H    THR  20           H        THR  20  -5.918  -2.022 -15.751
  166    HA   THR  20           HA       THR  20  -4.899  -3.567 -17.959
  167    HB   THR  20           HB       THR  20  -4.766  -0.574 -17.539
  168    HG1  THR  20           HG1      THR  20  -6.922  -1.250 -17.513
  169   1HG2  THR  20          1HG2      THR  20  -4.587  -2.260 -20.042
  170   2HG2  THR  20          2HG2      THR  20  -3.259  -1.383 -19.285
  171   3HG2  THR  20          3HG2      THR  20  -4.610  -0.498 -19.992
  172    H    ASN  21           H        ASN  21  -2.903  -4.109 -18.363
  173    HA   ASN  21           HA       ASN  21  -0.713  -4.536 -18.149
  174   1HB   ASN  21          2HB       ASN  21   0.790  -2.726 -18.392
  175   2HB   ASN  21          1HB       ASN  21  -0.685  -2.273 -19.226
  176   1HD2  ASN  21          1HD2      ASN  21  -1.855  -0.535 -18.502
  177   2HD2  ASN  21          2HD2      ASN  21  -1.290   0.537 -17.278
  178    H    ALA  22           H        ALA  22  -2.344  -4.389 -15.599
  179    HA   ALA  22           HA       ALA  22  -0.426  -3.739 -13.569
  180   1HB   ALA  22          1HB       ALA  22  -3.034  -5.241 -13.379
  181   2HB   ALA  22          2HB       ALA  22  -2.800  -3.514 -13.112
  182   3HB   ALA  22          3HB       ALA  22  -2.068  -4.683 -12.013
  183    H    GLN  23           H        GLN  23   1.251  -4.951 -13.124
  184    HA   GLN  23           HA       GLN  23   1.031  -7.856 -13.484
  185   1HB   GLN  23          2HB       GLN  23   2.888  -6.766 -14.721
  186   2HB   GLN  23          1HB       GLN  23   3.541  -6.187 -13.190
  187   1HG   GLN  23          2HG       GLN  23   3.727  -8.562 -12.455
  188   2HG   GLN  23          1HG       GLN  23   3.249  -9.050 -14.078
  189   1HE2  GLN  23          1HE2      GLN  23   5.746  -7.693 -12.113
  190   2HE2  GLN  23          2HE2      GLN  23   7.021  -7.821 -13.278
  191    H    LEU  24           H        LEU  24   0.510  -8.854 -11.680
  192    HA   LEU  24           HA       LEU  24   0.943  -7.801  -9.096
  193   1HB   LEU  24          2HB       LEU  24  -0.812  -9.443  -9.559
  194   2HB   LEU  24          1HB       LEU  24   0.401 -10.644  -9.961
  195    HG   LEU  24           HG       LEU  24   1.222 -10.547  -7.613
  196   1HD1  LEU  24          1HD1      LEU  24   0.472  -8.281  -7.082
  197   2HD1  LEU  24          2HD1      LEU  24  -0.142  -9.459  -5.919
  198   3HD1  LEU  24          3HD1      LEU  24  -1.205  -8.818  -7.174
  199   1HD2  LEU  24          1HD2      LEU  24  -0.373 -12.260  -8.316
  200   2HD2  LEU  24          2HD2      LEU  24  -1.709 -11.178  -7.926
  201   3HD2  LEU  24          3HD2      LEU  24  -0.653 -11.771  -6.644
  202    H    LEU  25           H        LEU  25   2.973  -7.336  -8.580
  203    HA   LEU  25           HA       LEU  25   5.251  -8.880  -9.202
  204   1HB   LEU  25          2HB       LEU  25   4.696  -6.854  -7.039
  205   2HB   LEU  25          1HB       LEU  25   6.269  -7.576  -7.287
  206    HG   LEU  25           HG       LEU  25   4.794  -5.916  -9.329
  207   1HD1  LEU  25          1HD1      LEU  25   6.478  -4.214  -8.868
  208   2HD1  LEU  25          2HD1      LEU  25   7.152  -5.225  -7.589
  209   3HD1  LEU  25          3HD1      LEU  25   5.520  -4.574  -7.430
  210   1HD2  LEU  25          1HD2      LEU  25   7.595  -7.025  -9.313
  211   2HD2  LEU  25          2HD2      LEU  25   6.930  -5.930 -10.523
  212   3HD2  LEU  25          3HD2      LEU  25   6.271  -7.557 -10.351
  213    H    GLY  26           H        GLY  26   2.978  -8.826  -6.593
  214   1HA   GLY  26          2HA       GLY  26   2.615 -11.331  -5.974
  215   2HA   GLY  26          1HA       GLY  26   4.236 -11.134  -5.314
  216    H    ASP  27           H        ASP  27   1.306 -11.440  -4.196
  217    HA   ASP  27           HA       ASP  27   1.103  -9.125  -2.558
  218   1HB   ASP  27          2HB       ASP  27  -0.392 -10.675  -1.103
  219   2HB   ASP  27          1HB       ASP  27  -0.951 -10.105  -2.658
  220    H    PHE  28           H        PHE  28   1.914  -8.665  -0.739
  221    HA   PHE  28           HA       PHE  28   3.770 -10.521   0.545
  222   1HB   PHE  28          2HB       PHE  28   5.381  -9.676  -0.826
  223   2HB   PHE  28          1HB       PHE  28   4.469  -8.220  -1.175
  224    HD1  PHE  28           HD1      PHE  28   5.323  -6.251  -0.482
  225    HD2  PHE  28           HD2      PHE  28   6.320  -9.772   1.688
  226    HE1  PHE  28           HE1      PHE  28   6.822  -4.934   0.946
  227    HE2  PHE  28           HE2      PHE  28   7.827  -8.458   3.125
  228    HZ   PHE  28           HZ       PHE  28   8.072  -6.030   2.756
  229    H    SER  29           H        SER  29   3.488 -10.388   2.640
  230    HA   SER  29           HA       SER  29   1.935  -8.199   3.710
  231   1HB   SER  29          2HB       SER  29   2.959 -10.687   5.097
  232   2HB   SER  29          1HB       SER  29   1.706  -9.591   5.681
  233    HG   SER  29           HG       SER  29   1.363 -10.733   3.157
  234    H    ILE  30           H        ILE  30   2.735  -6.525   4.766
  235    HA   ILE  30           HA       ILE  30   5.568  -6.576   5.538
  236    HB   ILE  30           HB       ILE  30   5.320  -4.096   5.787
  237   1HG1  ILE  30          2HG1      ILE  30   2.633  -4.617   4.510
  238   2HG1  ILE  30          1HG1      ILE  30   2.915  -3.945   6.111
  239   1HG2  ILE  30          1HG2      ILE  30   5.334  -3.624   3.382
  240   2HG2  ILE  30          2HG2      ILE  30   4.711  -5.245   3.075
  241   3HG2  ILE  30          3HG2      ILE  30   6.307  -5.036   3.799
  242   1HD1  ILE  30          1HD1      ILE  30   3.895  -1.965   5.141
  243   2HD1  ILE  30          2HD1      ILE  30   2.290  -2.238   4.462
  244   3HD1  ILE  30          3HD1      ILE  30   3.728  -2.645   3.523
  245    H    ASP  31           H        ASP  31   6.159  -6.501   7.600
  246    HA   ASP  31           HA       ASP  31   4.020  -6.674   9.570
  247   1HB   ASP  31          2HB       ASP  31   5.892  -8.390   9.402
  248   2HB   ASP  31          1HB       ASP  31   6.966  -7.146  10.034
  249    H    ASN  32           H        ASN  32   4.270  -5.584  11.629
  250    HA   ASN  32           HA       ASN  32   4.579  -3.775  12.965
  251   1HB   ASN  32          2HB       ASN  32   6.802  -3.062  11.045
  252   2HB   ASN  32          1HB       ASN  32   6.452  -2.188  12.530
  253   1HD2  ASN  32          1HD2      ASN  32   7.802  -5.052  11.142
  254   2HD2  ASN  32          2HD2      ASN  32   8.478  -5.686  12.601
  255    H    TYR  33           H        TYR  33   2.761  -3.814  10.626
  256    HA   TYR  33           HA       TYR  33   2.261  -0.916  10.654
  257   1HB   TYR  33          2HB       TYR  33   1.958  -2.733   8.258
  258   2HB   TYR  33          1HB       TYR  33   1.323  -1.100   8.345
  259    HD1  TYR  33           HD1      TYR  33   2.890   0.827   8.510
  260    HD2  TYR  33           HD2      TYR  33   4.267  -3.131   7.779
  261    HE1  TYR  33           HE1      TYR  33   5.033   1.730   7.722
  262    HE2  TYR  33           HE2      TYR  33   6.413  -2.242   6.985
  263    HH   TYR  33           HH       TYR  33   7.315  -0.168   6.061
  264    H    GLN  34           H        GLN  34  -0.020  -0.368  10.211
  265    HA   GLN  34           HA       GLN  34  -1.857  -2.471  11.169
  266   1HB   GLN  34          2HB       GLN  34  -1.993   0.478  11.844
  267   2HB   GLN  34          1HB       GLN  34  -3.073  -0.779  12.435
  268   1HG   GLN  34          2HG       GLN  34  -1.259  -1.800  13.664
  269   2HG   GLN  34          1HG       GLN  34  -0.127  -0.615  13.016
  270   1HE2  GLN  34          1HE2      GLN  34  -0.222   1.519  13.751
  271   2HE2  GLN  34          2HE2      GLN  34  -1.016   1.937  15.231
  272    H    LEU  35           H        LEU  35  -4.024  -2.337  10.374
  273    HA   LEU  35           HA       LEU  35  -4.288  -0.648   7.973
  274   1HB   LEU  35          2HB       LEU  35  -4.095  -3.033   7.431
  275   2HB   LEU  35          1HB       LEU  35  -5.453  -3.386   8.481
  276    HG   LEU  35           HG       LEU  35  -6.862  -1.921   6.984
  277   1HD1  LEU  35          1HD1      LEU  35  -6.034  -1.515   4.722
  278   2HD1  LEU  35          2HD1      LEU  35  -4.454  -2.146   5.189
  279   3HD1  LEU  35          3HD1      LEU  35  -5.068  -0.668   5.931
  280   1HD2  LEU  35          1HD2      LEU  35  -6.925  -4.369   6.896
  281   2HD2  LEU  35          2HD2      LEU  35  -5.606  -4.357   5.725
  282   3HD2  LEU  35          3HD2      LEU  35  -7.165  -3.651   5.303
  283    H    TYR  36           H        TYR  36  -5.852   0.803   8.051
  284    HA   TYR  36           HA       TYR  36  -7.995   0.557  10.008
  285   1HB   TYR  36          2HB       TYR  36  -7.332   2.775   8.058
  286   2HB   TYR  36          1HB       TYR  36  -8.605   2.839   9.273
  287    HD1  TYR  36           HD1      TYR  36  -5.298   3.744   8.574
  288    HD2  TYR  36           HD2      TYR  36  -7.762   2.332  11.743
  289    HE1  TYR  36           HE1      TYR  36  -3.687   4.627  10.208
  290    HE2  TYR  36           HE2      TYR  36  -6.159   3.208  13.386
  291    HH   TYR  36           HH       TYR  36  -3.618   5.322  12.531
  292    H    SER  37           H        SER  37 -10.080   0.132   9.502
  293    HA   SER  37           HA       SER  37 -10.681  -0.312   6.656
  294   1HB   SER  37          2HB       SER  37 -10.401  -2.452   7.900
  295   2HB   SER  37          1HB       SER  37 -11.716  -1.967   8.973
  296    HG   SER  37           HG       SER  37 -12.169  -3.350   7.004
  297    H    LEU  38           H        LEU  38 -11.760   1.544   6.284
  298    HA   LEU  38           HA       LEU  38 -14.024   2.189   8.021
  299   1HB   LEU  38          2HB       LEU  38 -14.018   4.311   6.459
  300   2HB   LEU  38          1HB       LEU  38 -12.931   4.179   7.825
  301    HG   LEU  38           HG       LEU  38 -12.000   3.344   5.103
  302   1HD1  LEU  38          1HD1      LEU  38 -12.961   5.563   4.794
  303   2HD1  LEU  38          2HD1      LEU  38 -11.197   5.637   4.733
  304   3HD1  LEU  38          3HD1      LEU  38 -12.053   6.160   6.184
  305   1HD2  LEU  38          1HD2      LEU  38 -10.579   2.836   7.015
  306   2HD2  LEU  38          2HD2      LEU  38 -10.625   4.527   7.512
  307   3HD2  LEU  38          3HD2      LEU  38  -9.834   4.076   6.002
  308    H    GLY  39           H        GLY  39 -13.749   0.094   5.836
  309   1HA   GLY  39          2HA       GLY  39 -15.341  -0.973   4.554
  310   2HA   GLY  39          1HA       GLY  39 -16.455   0.332   4.927
  311    H    HIS  40           H        HIS  40 -15.476   2.506   3.884
  312    HA   HIS  40           HA       HIS  40 -15.979   2.326   1.144
  313   1HB   HIS  40          2HB       HIS  40 -14.546   4.488   2.704
  314   2HB   HIS  40          1HB       HIS  40 -15.088   4.663   1.041
  315    HD1  HIS  40           HD1      HIS  40 -16.220   4.995   4.530
  316    HD2  HIS  40           HD2      HIS  40 -17.961   4.679   0.758
  317    HE1  HIS  40           HE1      HIS  40 -18.591   5.765   4.810
  318    HE2  HIS  40           HE2      HIS  40 -19.559   5.765   2.482
  319    H    TYR  41           H        TYR  41 -12.906   2.775   2.844
  320    HA   TYR  41           HA       TYR  41 -11.454   1.309   0.864
  321   1HB   TYR  41          2HB       TYR  41  -9.910   3.189   0.288
  322   2HB   TYR  41          1HB       TYR  41 -11.542   3.411  -0.330
  323    HD1  TYR  41           HD1      TYR  41 -13.114   4.946   1.016
  324    HD2  TYR  41           HD2      TYR  41  -8.896   4.854   1.591
  325    HE1  TYR  41           HE1      TYR  41 -13.216   7.165   2.061
  326    HE2  TYR  41           HE2      TYR  41  -8.990   7.072   2.648
  327    HH   TYR  41           HH       TYR  41 -10.513   9.075   2.597
  328    HA   PRO  42           HA       PRO  42  -9.116   0.708   4.602
  329   1HB   PRO  42          2HB       PRO  42  -7.023  -0.540   3.016
  330   2HB   PRO  42          1HB       PRO  42  -8.162  -1.289   4.135
  331   1HG   PRO  42          2HG       PRO  42  -8.254  -1.681   1.450
  332   2HG   PRO  42          1HG       PRO  42  -9.693  -1.737   2.487
  333   1HD   PRO  42          2HD       PRO  42  -8.706   0.482   0.728
  334   2HD   PRO  42          1HD       PRO  42 -10.364  -0.110   0.975
  335    H    GLY  43           H        GLY  43  -7.139   1.302   5.604
  336   1HA   GLY  43          2HA       GLY  43  -5.264   2.931   4.047
  337   2HA   GLY  43          1HA       GLY  43  -6.052   3.683   5.429
  338    H    ALA  44           H        ALA  44  -3.216   2.442   4.591
  339    HA   ALA  44           HA       ALA  44  -2.852   0.880   7.058
  340   1HB   ALA  44          1HB       ALA  44  -0.945  -0.169   5.976
  341   2HB   ALA  44          2HB       ALA  44  -1.169   0.852   4.553
  342   3HB   ALA  44          3HB       ALA  44  -2.394  -0.340   4.987
  343    H    VAL  45           H        VAL  45  -1.158   1.291   8.441
  344    HA   VAL  45           HA       VAL  45   0.597   3.578   7.928
  345    HB   VAL  45           HB       VAL  45   0.135   4.631  10.077
  346   1HG1  VAL  45          1HG1      VAL  45  -1.120   5.421   8.142
  347   2HG1  VAL  45          2HG1      VAL  45  -2.056   5.583   9.625
  348   3HG1  VAL  45          3HG1      VAL  45  -2.406   4.270   8.499
  349   1HG2  VAL  45          1HG2      VAL  45  -0.567   2.635  11.301
  350   2HG2  VAL  45          2HG2      VAL  45  -2.081   2.614  10.396
  351   3HG2  VAL  45          3HG2      VAL  45  -1.722   3.954  11.486
  352    HA   PRO  46           HA       PRO  46   3.500   1.129  10.314
  353   1HB   PRO  46          2HB       PRO  46   4.689   3.030  11.905
  354   2HB   PRO  46          1HB       PRO  46   5.115   2.738  10.217
  355   1HG   PRO  46          2HG       PRO  46   3.358   4.845  11.386
  356   2HG   PRO  46          1HG       PRO  46   4.533   4.971  10.067
  357   1HD   PRO  46          2HD       PRO  46   1.880   4.817   9.616
  358   2HD   PRO  46          1HD       PRO  46   3.069   4.096   8.515
  359    H    GLY  47           H        GLY  47   3.424  -0.062  12.140
  360   1HA   GLY  47          2HA       GLY  47   2.588   0.872  14.675
  361   2HA   GLY  47          1HA       GLY  47   1.232   0.093  13.869
  362    H    ASN  48           H        ASN  48   0.984  -1.967  14.449
  363    HA   ASN  48           HA       ASN  48   3.328  -3.693  14.548
  364   1HB   ASN  48          2HB       ASN  48   2.846  -2.793  16.886
  365   2HB   ASN  48          1HB       ASN  48   1.340  -3.697  16.824
  366   1HD2  ASN  48          1HD2      ASN  48   2.389  -6.000  15.457
  367   2HD2  ASN  48          2HD2      ASN  48   3.418  -6.826  16.574
  368    H    GLY  49           H        GLY  49   2.486  -4.595  12.663
  369   1HA   GLY  49          2HA       GLY  49   0.912  -6.879  13.030
  370   2HA   GLY  49          1HA       GLY  49  -0.107  -5.619  12.346
  371    H    THR  50           H        THR  50   0.349  -7.940  10.929
  372    HA   THR  50           HA       THR  50   2.394  -7.183   8.958
  373    HB   THR  50           HB       THR  50   1.185  -9.927   9.137
  374    HG1  THR  50           HG1      THR  50   3.052  -8.711  10.876
  375   1HG2  THR  50          1HG2      THR  50   3.324 -10.603   8.196
  376   2HG2  THR  50          2HG2      THR  50   3.921  -8.948   8.313
  377   3HG2  THR  50          3HG2      THR  50   2.605  -9.334   7.208
  378    H    VAL  51           H        VAL  51   1.385  -6.012   7.397
  379    HA   VAL  51           HA       VAL  51  -1.408  -6.504   6.765
  380    HB   VAL  51           HB       VAL  51   0.498  -4.463   5.600
  381   1HG1  VAL  51          1HG1      VAL  51  -1.389  -4.895   4.128
  382   2HG1  VAL  51          2HG1      VAL  51  -1.553  -3.305   4.874
  383   3HG1  VAL  51          3HG1      VAL  51  -2.513  -4.661   5.466
  384   1HG2  VAL  51          1HG2      VAL  51   0.214  -4.134   7.993
  385   2HG2  VAL  51          2HG2      VAL  51  -1.537  -4.182   7.808
  386   3HG2  VAL  51          3HG2      VAL  51  -0.612  -2.862   7.092
  387    H    HIS  52           H        HIS  52  -2.102  -7.736   5.154
  388    HA   HIS  52           HA       HIS  52  -0.195  -9.183   3.551
  389   1HB   HIS  52          2HB       HIS  52  -3.220  -9.223   3.411
  390   2HB   HIS  52          1HB       HIS  52  -2.130 -10.428   2.766
  391    HD1  HIS  52           HD1      HIS  52  -1.334  -9.347   6.234
  392    HD2  HIS  52           HD2      HIS  52  -3.621 -12.257   4.347
  393    HE1  HIS  52           HE1      HIS  52  -1.925 -11.004   8.023
  394    HE2  HIS  52           HE2      HIS  52  -3.550 -12.587   6.909
  395    H    GLY  53           H        GLY  53   0.317  -6.788   2.611
  396   1HA   GLY  53          2HA       GLY  53  -1.651  -5.712   0.826
  397   2HA   GLY  53          1HA       GLY  53  -0.012  -5.127   1.038
  398    H    GLU  54           H        GLU  54  -1.476  -5.373  -1.407
  399    HA   GLU  54           HA       GLU  54  -0.038  -7.503  -2.823
  400   1HB   GLU  54          2HB       GLU  54  -2.205  -5.657  -3.851
  401   2HB   GLU  54          1HB       GLU  54  -1.560  -7.068  -4.674
  402   1HG   GLU  54          2HG       GLU  54  -2.474  -8.498  -2.895
  403   2HG   GLU  54          1HG       GLU  54  -3.153  -7.068  -2.121
  404    H    VAL  55           H        VAL  55   1.827  -6.970  -3.822
  405    HA   VAL  55           HA       VAL  55   2.403  -4.141  -4.302
  406    HB   VAL  55           HB       VAL  55   4.311  -6.443  -4.721
  407   1HG1  VAL  55          1HG1      VAL  55   4.750  -3.501  -4.223
  408   2HG1  VAL  55          2HG1      VAL  55   4.999  -4.359  -5.741
  409   3HG1  VAL  55          3HG1      VAL  55   6.026  -4.712  -4.351
  410   1HG2  VAL  55          1HG2      VAL  55   3.515  -6.585  -2.444
  411   2HG2  VAL  55          2HG2      VAL  55   3.841  -4.869  -2.195
  412   3HG2  VAL  55          3HG2      VAL  55   5.174  -5.991  -2.466
  413    H    TYR  56           H        TYR  56   2.245  -3.266  -6.288
  414    HA   TYR  56           HA       TYR  56   2.014  -5.135  -8.557
  415   1HB   TYR  56          2HB       TYR  56   0.339  -2.753  -7.839
  416   2HB   TYR  56          1HB       TYR  56   0.489  -3.256  -9.518
  417    HD1  TYR  56           HD1      TYR  56  -0.789  -4.175  -6.210
  418    HD2  TYR  56           HD2      TYR  56  -0.542  -5.269 -10.309
  419    HE1  TYR  56           HE1      TYR  56  -2.561  -5.834  -5.866
  420    HE2  TYR  56           HE2      TYR  56  -2.312  -6.937  -9.980
  421    HH   TYR  56           HH       TYR  56  -4.056  -7.147  -6.913
  422    H    ARG  57           H        ARG  57   2.903  -4.628 -10.463
  423    HA   ARG  57           HA       ARG  57   4.425  -2.120 -10.657
  424   1HB   ARG  57          2HB       ARG  57   5.688  -4.227 -11.046
  425   2HB   ARG  57          1HB       ARG  57   4.593  -4.611 -12.369
  426   1HG   ARG  57          2HG       ARG  57   5.537  -2.036 -12.902
  427   2HG   ARG  57          1HG       ARG  57   6.940  -2.952 -12.352
  428   1HD   ARG  57          2HD       ARG  57   6.725  -3.136 -14.754
  429   2HD   ARG  57          1HD       ARG  57   6.418  -4.703 -14.003
  430    HE   ARG  57           HE       ARG  57   3.935  -3.629 -14.258
  431   1HH1  ARG  57          1HH1      ARG  57   6.584  -4.090 -16.490
  432   2HH1  ARG  57          2HH1      ARG  57   5.561  -4.328 -17.870
  433   1HH2  ARG  57          1HH2      ARG  57   2.556  -3.919 -16.070
  434   2HH2  ARG  57          2HH2      ARG  57   3.253  -4.215 -17.637
  435    H    ILE  58           H        ILE  58   3.116  -0.600 -11.477
  436    HA   ILE  58           HA       ILE  58   1.516  -1.312 -13.842
  437    HB   ILE  58           HB       ILE  58  -0.056   0.575 -13.049
  438   1HG1  ILE  58          2HG1      ILE  58  -0.213   0.516 -10.467
  439   2HG1  ILE  58          1HG1      ILE  58   1.451  -0.048 -10.513
  440   1HG2  ILE  58          1HG2      ILE  58  -1.406  -1.018 -11.789
  441   2HG2  ILE  58          2HG2      ILE  58  -0.002  -2.070 -11.610
  442   3HG2  ILE  58          3HG2      ILE  58  -0.680  -1.768 -13.210
  443   1HD1  ILE  58          1HD1      ILE  58   2.128   1.990 -11.640
  444   2HD1  ILE  58          2HD1      ILE  58   1.307   2.349 -10.119
  445   3HD1  ILE  58          3HD1      ILE  58   0.457   2.552 -11.652
  446    H    ASP  59           H        ASP  59   0.915   0.630 -15.141
  447    HA   ASP  59           HA       ASP  59   3.098   1.976 -16.122
  448   1HB   ASP  59          2HB       ASP  59   1.285   2.006 -17.542
  449   2HB   ASP  59          1HB       ASP  59   0.150   2.413 -16.261
  450    H    ASN  60           H        ASN  60   4.177   3.803 -15.706
  451    HA   ASN  60           HA       ASN  60   4.252   4.958 -13.176
  452   1HB   ASN  60          2HB       ASN  60   5.198   5.971 -15.865
  453   2HB   ASN  60          1HB       ASN  60   5.464   6.880 -14.383
  454   1HD2  ASN  60          1HD2      ASN  60   7.357   5.627 -16.250
  455   2HD2  ASN  60          2HD2      ASN  60   8.312   4.542 -15.292
  456    H    ALA  61           H        ALA  61   2.489   5.980 -16.086
  457    HA   ALA  61           HA       ALA  61   1.729   8.536 -15.080
  458   1HB   ALA  61          1HB       ALA  61   0.290   8.677 -17.024
  459   2HB   ALA  61          2HB       ALA  61   0.489   6.953 -17.326
  460   3HB   ALA  61          3HB       ALA  61   1.869   8.041 -17.482
  461    H    THR  62           H        THR  62   0.227   5.362 -15.053
  462    HA   THR  62           HA       THR  62  -2.305   6.016 -14.112
  463    HB   THR  62           HB       THR  62  -0.625   3.613 -13.344
  464    HG1  THR  62           HG1      THR  62  -1.084   4.102 -15.684
  465   1HG2  THR  62          1HG2      THR  62  -2.570   3.838 -11.882
  466   2HG2  THR  62          2HG2      THR  62  -2.807   2.492 -12.996
  467   3HG2  THR  62          3HG2      THR  62  -3.625   4.028 -13.282
  468    H    LEU  63           H        LEU  63   0.767   5.937 -12.440
  469    HA   LEU  63           HA       LEU  63  -0.251   6.227  -9.793
  470   1HB   LEU  63          2HB       LEU  63   2.028   5.524 -10.004
  471   2HB   LEU  63          1HB       LEU  63   2.425   6.906 -11.012
  472    HG   LEU  63           HG       LEU  63   1.788   8.321  -8.939
  473   1HD1  LEU  63          1HD1      LEU  63   2.356   5.692  -7.588
  474   2HD1  LEU  63          2HD1      LEU  63   0.785   6.488  -7.664
  475   3HD1  LEU  63          3HD1      LEU  63   2.117   7.253  -6.797
  476   1HD2  LEU  63          1HD2      LEU  63   4.050   8.115  -9.848
  477   2HD2  LEU  63          2HD2      LEU  63   4.292   6.653  -8.889
  478   3HD2  LEU  63          3HD2      LEU  63   4.043   8.203  -8.086
  479    H    ALA  64           H        ALA  64   1.040   8.452 -12.212
  480    HA   ALA  64           HA       ALA  64   0.674  10.835 -10.806
  481   1HB   ALA  64          1HB       ALA  64   0.555  10.402 -13.789
  482   2HB   ALA  64          2HB       ALA  64   2.017  10.672 -12.838
  483   3HB   ALA  64          3HB       ALA  64   0.804  11.946 -12.973
  484    H    GLU  65           H        GLU  65  -1.568   8.894 -12.687
  485    HA   GLU  65           HA       GLU  65  -3.640  10.901 -12.629
  486   1HB   GLU  65          2HB       GLU  65  -3.546   9.096 -14.352
  487   2HB   GLU  65          1HB       GLU  65  -3.931   7.927 -13.096
  488   1HG   GLU  65          2HG       GLU  65  -6.066   9.001 -12.710
  489   2HG   GLU  65          1HG       GLU  65  -5.681  10.239 -13.906
  490    H    LEU  66           H        LEU  66  -2.775   8.067 -10.762
  491    HA   LEU  66           HA       LEU  66  -5.043   7.999  -9.098
  492   1HB   LEU  66          2HB       LEU  66  -3.572   6.082  -9.361
  493   2HB   LEU  66          1HB       LEU  66  -2.231   6.970  -8.668
  494    HG   LEU  66           HG       LEU  66  -4.690   6.481  -7.018
  495   1HD1  LEU  66          1HD1      LEU  66  -2.421   4.540  -7.443
  496   2HD1  LEU  66          2HD1      LEU  66  -4.087   4.315  -7.975
  497   3HD1  LEU  66          3HD1      LEU  66  -3.714   4.378  -6.252
  498   1HD2  LEU  66          1HD2      LEU  66  -2.966   7.971  -6.129
  499   2HD2  LEU  66          2HD2      LEU  66  -1.747   6.719  -6.371
  500   3HD2  LEU  66          3HD2      LEU  66  -3.041   6.474  -5.198
  501    H    ASP  67           H        ASP  67  -1.833   9.526  -8.631
  502    HA   ASP  67           HA       ASP  67  -2.438  10.310  -5.962
  503   1HB   ASP  67          2HB       ASP  67  -0.395  11.510  -5.945
  504   2HB   ASP  67          1HB       ASP  67  -0.118  10.078  -6.912
  505    H    ALA  68           H        ALA  68  -2.554  11.990  -9.057
  506    HA   ALA  68           HA       ALA  68  -3.383  14.488  -8.165
  507   1HB   ALA  68          1HB       ALA  68  -2.698  13.836 -10.467
  508   2HB   ALA  68          2HB       ALA  68  -4.157  14.830 -10.401
  509   3HB   ALA  68          3HB       ALA  68  -4.282  13.089 -10.671
  510    H    LEU  69           H        LEU  69  -5.119  11.514  -8.575
  511    HA   LEU  69           HA       LEU  69  -7.731  12.713  -8.285
  512   1HB   LEU  69          2HB       LEU  69  -7.195  10.768  -9.772
  513   2HB   LEU  69          1HB       LEU  69  -6.936   9.805  -8.332
  514    HG   LEU  69           HG       LEU  69  -9.303  10.173  -7.696
  515   1HD1  LEU  69          1HD1      LEU  69  -9.460  11.477 -10.409
  516   2HD1  LEU  69          2HD1      LEU  69  -9.646  12.291  -8.855
  517   3HD1  LEU  69          3HD1      LEU  69 -10.833  11.093  -9.370
  518   1HD2  LEU  69          1HD2      LEU  69  -8.824   9.011 -10.437
  519   2HD2  LEU  69          2HD2      LEU  69 -10.239   8.702  -9.429
  520   3HD2  LEU  69          3HD2      LEU  69  -8.644   8.167  -8.897
  521    H    ARG  70           H        ARG  70  -5.527  10.746  -6.349
  522    HA   ARG  70           HA       ARG  70  -7.552  10.249  -4.338
  523   1HB   ARG  70          2HB       ARG  70  -6.026   8.462  -5.128
  524   2HB   ARG  70          1HB       ARG  70  -4.671   9.340  -4.429
  525   1HG   ARG  70          2HG       ARG  70  -5.558   9.056  -2.219
  526   2HG   ARG  70          1HG       ARG  70  -7.032   8.335  -2.863
  527   1HD   ARG  70          2HD       ARG  70  -5.799   6.423  -3.659
  528   2HD   ARG  70          1HD       ARG  70  -4.268   7.176  -3.206
  529    HE   ARG  70           HE       ARG  70  -5.123   7.036  -0.859
  530   1HH1  ARG  70          1HH1      ARG  70  -6.242   4.808  -3.308
  531   2HH1  ARG  70          2HH1      ARG  70  -6.643   3.563  -2.173
  532   1HH2  ARG  70          1HH2      ARG  70  -5.652   5.392   0.638
  533   2HH2  ARG  70          2HH2      ARG  70  -6.324   3.897   0.067
  534    H    THR  71           H        THR  71  -5.836  12.873  -4.829
  535    HA   THR  71           HA       THR  71  -5.658  14.717  -3.400
  536    HB   THR  71           HB       THR  71  -6.646  13.180  -1.494
  537    HG1  THR  71           HG1      THR  71  -6.392  15.560  -1.618
  538   1HG2  THR  71          1HG2      THR  71  -3.803  13.579  -0.566
  539   2HG2  THR  71          2HG2      THR  71  -4.404  12.046  -1.196
  540   3HG2  THR  71          3HG2      THR  71  -5.108  12.734   0.270
  541    H    ARG  72           H        ARG  72  -3.544  12.088  -3.748
  542    HA   ARG  72           HA       ARG  72  -1.305  11.907  -3.954
  543   1HB   ARG  72          2HB       ARG  72  -1.582  13.746  -5.528
  544   2HB   ARG  72          1HB       ARG  72  -1.473  14.909  -4.218
  545   1HG   ARG  72          2HG       ARG  72   0.826  14.305  -3.822
  546   2HG   ARG  72          1HG       ARG  72   0.729  13.038  -5.050
  547   1HD   ARG  72          2HD       ARG  72   0.319  14.698  -6.764
  548   2HD   ARG  72          1HD       ARG  72   0.319  15.981  -5.554
  549    HE   ARG  72           HE       ARG  72   2.669  15.584  -5.215
  550   1HH1  ARG  72          1HH1      ARG  72   1.246  13.978  -8.002
  551   2HH1  ARG  72          2HH1      ARG  72   2.766  13.857  -8.850
  552   1HH2  ARG  72          1HH2      ARG  72   4.647  15.394  -6.306
  553   2HH2  ARG  72          2HH2      ARG  72   4.709  14.652  -7.876
  554    H    GLY  73           H        GLY  73  -1.181  15.047  -2.331
  555   1HA   GLY  73          2HA       GLY  73  -0.110  13.729   0.061
  556   2HA   GLY  73          1HA       GLY  73   0.893  14.914  -0.765
  557    H    GLY  74           H        GLY  74  -2.557  15.319  -0.660
  558   1HA   GLY  74          2HA       GLY  74  -2.165  17.627   1.120
  559   2HA   GLY  74          1HA       GLY  74  -3.533  17.387   0.039
  560    H    GLU  75           H        GLU  75  -4.921  15.466   0.555
  561    HA   GLU  75           HA       GLU  75  -5.784  15.653   3.263
  562   1HB   GLU  75          2HB       GLU  75  -7.234  15.284   1.225
  563   2HB   GLU  75          1HB       GLU  75  -6.647  13.630   1.196
  564   1HG   GLU  75          2HG       GLU  75  -7.668  13.149   3.292
  565   2HG   GLU  75          1HG       GLU  75  -8.069  14.848   3.545
  566    H    TYR  76           H        TYR  76  -3.890  13.308   1.423
  567    HA   TYR  76           HA       TYR  76  -3.476  11.824   3.954
  568   1HB   TYR  76          2HB       TYR  76  -3.296  10.559   1.215
  569   2HB   TYR  76          1HB       TYR  76  -3.299   9.749   2.777
  570    HD1  TYR  76           HD1      TYR  76  -5.162   9.917   0.041
  571    HD2  TYR  76           HD2      TYR  76  -5.575  10.850   4.172
  572    HE1  TYR  76           HE1      TYR  76  -7.603   9.682  -0.152
  573    HE2  TYR  76           HE2      TYR  76  -8.016  10.601   3.990
  574    HH   TYR  76           HH       TYR  76  -9.720  10.884   2.009
  575    H    ALA  77           H        ALA  77  -1.357  10.687   4.078
  576    HA   ALA  77           HA       ALA  77   0.725  12.337   2.802
  577   1HB   ALA  77          1HB       ALA  77   0.725  12.245   5.259
  578   2HB   ALA  77          2HB       ALA  77   2.210  11.595   4.565
  579   3HB   ALA  77          3HB       ALA  77   0.970  10.500   5.179
  580    H    ARG  78           H        ARG  78   2.376  11.473   1.583
  581    HA   ARG  78           HA       ARG  78   2.030   8.710   0.694
  582   1HB   ARG  78          2HB       ARG  78   3.966  10.798  -0.325
  583   2HB   ARG  78          1HB       ARG  78   3.615   9.250  -1.072
  584   1HG   ARG  78          2HG       ARG  78   1.320   9.994  -1.500
  585   2HG   ARG  78          1HG       ARG  78   1.712  11.562  -0.789
  586   1HD   ARG  78          2HD       ARG  78   2.178  12.120  -2.922
  587   2HD   ARG  78          1HD       ARG  78   3.710  11.329  -2.584
  588    HE   ARG  78           HE       ARG  78   1.919   9.403  -3.522
  589   1HH1  ARG  78          1HH1      ARG  78   3.689  12.205  -4.678
  590   2HH1  ARG  78          2HH1      ARG  78   3.633  11.705  -6.338
  591   1HH2  ARG  78          1HH2      ARG  78   1.855   8.759  -5.714
  592   2HH2  ARG  78          2HH2      ARG  78   2.594   9.768  -6.928
  593    H    GLN  79           H        GLN  79   3.212   7.126   1.548
  594    HA   GLN  79           HA       GLN  79   5.862   7.810   2.646
  595   1HB   GLN  79          2HB       GLN  79   4.102   6.912   4.263
  596   2HB   GLN  79          1HB       GLN  79   4.195   5.398   3.385
  597   1HG   GLN  79          2HG       GLN  79   6.512   5.140   3.966
  598   2HG   GLN  79          1HG       GLN  79   6.533   6.727   4.731
  599   1HE2  GLN  79          1HE2      GLN  79   3.825   4.554   5.039
  600   2HE2  GLN  79          2HE2      GLN  79   4.080   4.156   6.698
  601    H    LEU  80           H        LEU  80   7.339   7.274   1.121
  602    HA   LEU  80           HA       LEU  80   6.813   5.089  -0.697
  603   1HB   LEU  80          2HB       LEU  80   7.947   7.125  -1.490
  604   2HB   LEU  80          1HB       LEU  80   9.276   6.808  -0.388
  605    HG   LEU  80           HG       LEU  80   9.695   4.668  -1.597
  606   1HD1  LEU  80          1HD1      LEU  80   7.679   5.787  -3.540
  607   2HD1  LEU  80          2HD1      LEU  80   7.482   4.343  -2.548
  608   3HD1  LEU  80          3HD1      LEU  80   8.706   4.380  -3.817
  609   1HD2  LEU  80          1HD2      LEU  80   9.803   7.184  -3.255
  610   2HD2  LEU  80          2HD2      LEU  80  10.739   5.718  -3.548
  611   3HD2  LEU  80          3HD2      LEU  80  11.010   6.658  -2.080
  612    H    ILE  81           H        ILE  81   7.087   3.082  -0.014
  613    HA   ILE  81           HA       ILE  81   9.174   2.553   1.984
  614    HB   ILE  81           HB       ILE  81   7.938   0.474   2.491
  615   1HG1  ILE  81          2HG1      ILE  81   5.736   1.607   0.750
  616   2HG1  ILE  81          1HG1      ILE  81   6.822   0.331   0.216
  617   1HG2  ILE  81          1HG2      ILE  81   6.387   3.047   2.685
  618   2HG2  ILE  81          2HG2      ILE  81   7.578   2.437   3.834
  619   3HG2  ILE  81          3HG2      ILE  81   6.042   1.595   3.622
  620   1HD1  ILE  81          1HD1      ILE  81   4.692  -0.559   0.989
  621   2HD1  ILE  81          2HD1      ILE  81   4.956   0.174   2.572
  622   3HD1  ILE  81          3HD1      ILE  81   6.022  -1.113   2.005
  623    H    GLN  82           H        GLN  82  10.594   0.857   1.726
  624    HA   GLN  82           HA       GLN  82  11.158   0.216  -1.056
  625   1HB   GLN  82          2HB       GLN  82  12.738   0.988   1.031
  626   2HB   GLN  82          1HB       GLN  82  12.945  -0.754   1.094
  627   1HG   GLN  82          2HG       GLN  82  13.547   1.066  -1.219
  628   2HG   GLN  82          1HG       GLN  82  14.705   0.215  -0.200
  629   1HE2  GLN  82          1HE2      GLN  82  12.525   0.011  -2.839
  630   2HE2  GLN  82          2HE2      GLN  82  12.935  -1.598  -3.337
  631    H    THR  83           H        THR  83   9.978  -1.567  -1.744
  632    HA   THR  83           HA       THR  83   9.792  -3.833   0.121
  633    HB   THR  83           HB       THR  83   7.965  -4.650  -1.061
  634    HG1  THR  83           HG1      THR  83   8.523  -3.021  -3.325
  635   1HG2  THR  83          1HG2      THR  83   6.460  -2.782  -1.535
  636   2HG2  THR  83          2HG2      THR  83   7.835  -1.677  -1.571
  637   3HG2  THR  83          3HG2      THR  83   7.391  -2.484  -0.067
  638    HA   PRO  84           HA       PRO  84  12.751  -6.391  -1.947
  639   1HB   PRO  84          2HB       PRO  84  10.671  -8.466  -2.360
  640   2HB   PRO  84          1HB       PRO  84  12.226  -8.580  -1.530
  641   1HG   PRO  84          2HG       PRO  84   9.946  -8.508  -0.149
  642   2HG   PRO  84          1HG       PRO  84  11.394  -7.668   0.436
  643   1HD   PRO  84          2HD       PRO  84   8.966  -6.557  -0.911
  644   2HD   PRO  84          1HD       PRO  84   9.918  -5.888   0.431
  645    H    TYR  85           H        TYR  85   9.705  -5.780  -3.488
  646    HA   TYR  85           HA       TYR  85  10.706  -6.682  -6.088
  647   1HB   TYR  85          2HB       TYR  85   7.977  -5.579  -5.397
  648   2HB   TYR  85          1HB       TYR  85   8.440  -6.404  -6.880
  649    HD1  TYR  85           HD1      TYR  85   9.245  -8.866  -6.626
  650    HD2  TYR  85           HD2      TYR  85   7.026  -6.785  -3.652
  651    HE1  TYR  85           HE1      TYR  85   8.552 -11.014  -5.648
  652    HE2  TYR  85           HE2      TYR  85   6.327  -8.924  -2.667
  653    HH   TYR  85           HH       TYR  85   7.772 -11.879  -3.454
  654    H    GLY  86           H        GLY  86  10.823  -3.970  -4.232
  655   1HA   GLY  86          2HA       GLY  86  12.021  -2.105  -5.456
  656   2HA   GLY  86          1HA       GLY  86  10.631  -2.132  -6.534
  657    H    SER  87           H        SER  87  11.493   0.127  -5.031
  658    HA   SER  87           HA       SER  87  10.001   0.462  -2.670
  659   1HB   SER  87          2HB       SER  87  10.927   2.582  -4.604
  660   2HB   SER  87          1HB       SER  87  10.523   2.813  -2.908
  661    HG   SER  87           HG       SER  87  12.677   2.602  -2.869
  662    H    ALA  88           H        ALA  88   7.927   0.905  -2.339
  663    HA   ALA  88           HA       ALA  88   6.264   1.616  -4.670
  664   1HB   ALA  88          1HB       ALA  88   5.995  -0.754  -4.097
  665   2HB   ALA  88          2HB       ALA  88   4.511   0.158  -3.827
  666   3HB   ALA  88          3HB       ALA  88   5.525  -0.300  -2.459
  667    H    TRP  89           H        TRP  89   4.424   2.879  -4.247
  668    HA   TRP  89           HA       TRP  89   4.784   4.722  -2.072
  669   1HB   TRP  89          2HB       TRP  89   2.719   4.567  -4.273
  670   2HB   TRP  89          1HB       TRP  89   2.771   5.850  -3.076
  671    HD1  TRP  89           HD1      TRP  89   4.394   4.709  -6.266
  672    HE1  TRP  89           HE1      TRP  89   6.070   6.487  -7.030
  673    HE3  TRP  89           HE3      TRP  89   4.421   7.656  -2.091
  674    HZ2  TRP  89           HZ2      TRP  89   7.276   8.836  -6.001
  675    HZ3  TRP  89           HZ3      TRP  89   5.869   9.639  -2.054
  676    HH2  TRP  89           HH2      TRP  89   7.263  10.218  -3.973
  677    H    MET  90           H        MET  90   3.989   4.474  -0.129
  678    HA   MET  90           HA       MET  90   1.503   2.948   0.283
  679   1HB   MET  90          2HB       MET  90   3.599   2.258   1.511
  680   2HB   MET  90          1HB       MET  90   3.567   3.823   2.321
  681   1HG   MET  90          2HG       MET  90   1.366   3.247   3.265
  682   2HG   MET  90          1HG       MET  90   1.489   1.654   2.520
  683   1HE   MET  90          1HE       MET  90   2.064   0.819   6.281
  684   2HE   MET  90          2HE       MET  90   1.190   0.387   4.811
  685   3HE   MET  90          3HE       MET  90   0.928   1.961   5.561
  686    H    TYR  91           H        TYR  91  -0.279   4.226   0.526
  687    HA   TYR  91           HA       TYR  91   0.147   7.007   1.304
  688   1HB   TYR  91          2HB       TYR  91  -2.288   5.640   0.141
  689   2HB   TYR  91          1HB       TYR  91  -2.227   7.337   0.598
  690    HD1  TYR  91           HD1      TYR  91  -1.065   4.833  -1.822
  691    HD2  TYR  91           HD2      TYR  91  -1.001   8.939  -0.721
  692    HE1  TYR  91           HE1      TYR  91  -0.150   5.404  -4.032
  693    HE2  TYR  91           HE2      TYR  91  -0.092   9.523  -2.926
  694    HH   TYR  91           HH       TYR  91  -0.067   7.384  -5.532
  695    H    VAL  92           H        VAL  92   0.133   7.380   3.384
  696    HA   VAL  92           HA       VAL  92  -1.249   5.666   5.227
  697    HB   VAL  92           HB       VAL  92   0.540   8.060   5.511
  698   1HG1  VAL  92          1HG1      VAL  92  -1.065   6.841   7.756
  699   2HG1  VAL  92          2HG1      VAL  92  -1.264   8.471   7.112
  700   3HG1  VAL  92          3HG1      VAL  92   0.231   8.023   7.936
  701   1HG2  VAL  92          1HG2      VAL  92   0.589   5.298   6.713
  702   2HG2  VAL  92          2HG2      VAL  92   1.854   6.522   6.844
  703   3HG2  VAL  92          3HG2      VAL  92   1.482   5.805   5.276
  704    H    TYR  93           H        TYR  93  -3.289   5.846   5.729
  705    HA   TYR  93           HA       TYR  93  -4.935   7.985   4.880
  706   1HB   TYR  93          2HB       TYR  93  -5.779   5.671   5.263
  707   2HB   TYR  93          1HB       TYR  93  -5.527   5.892   6.991
  708    HD1  TYR  93           HD1      TYR  93  -7.379   6.470   8.248
  709    HD2  TYR  93           HD2      TYR  93  -7.229   7.649   4.162
  710    HE1  TYR  93           HE1      TYR  93  -9.626   7.452   8.453
  711    HE2  TYR  93           HE2      TYR  93  -9.470   8.632   4.358
  712    HH   TYR  93           HH       TYR  93 -11.510   8.296   5.832
  713    H    GLN  94           H        GLN  94  -5.146   9.887   5.714
  714    HA   GLN  94           HA       GLN  94  -4.028  10.417   8.349
  715   1HB   GLN  94          2HB       GLN  94  -3.909  11.718   5.876
  716   2HB   GLN  94          1HB       GLN  94  -4.991  12.705   6.839
  717   1HG   GLN  94          2HG       GLN  94  -3.011  13.675   7.375
  718   2HG   GLN  94          1HG       GLN  94  -3.075  12.438   8.620
  719   1HE2  GLN  94          1HE2      GLN  94  -2.475  10.288   6.661
  720   2HE2  GLN  94          2HE2      GLN  94  -0.783  10.436   6.363
  721    H    ARG  95           H        ARG  95  -5.392  12.564   9.171
  722    HA   ARG  95           HA       ARG  95  -7.324  13.458   9.970
  723   1HB   ARG  95          2HB       ARG  95  -8.907  11.542   8.261
  724   2HB   ARG  95          1HB       ARG  95  -9.397  13.118   8.866
  725   1HG   ARG  95          2HG       ARG  95  -7.603  14.106   7.379
  726   2HG   ARG  95          1HG       ARG  95  -7.439  12.506   6.670
  727   1HD   ARG  95          2HD       ARG  95  -9.978  14.123   6.755
  728   2HD   ARG  95          1HD       ARG  95  -8.924  13.941   5.353
  729    HE   ARG  95           HE       ARG  95  -9.656  11.391   6.252
  730   1HH1  ARG  95          1HH1      ARG  95 -11.122  14.211   4.807
  731   2HH1  ARG  95          2HH1      ARG  95 -12.343  13.312   3.961
  732   1HH2  ARG  95          1HH2      ARG  95 -11.282  10.188   5.165
  733   2HH2  ARG  95          2HH2      ARG  95 -12.426  11.018   4.160
  734    HA   PRO  96           HA       PRO  96  -8.730  10.948  13.361
  735   1HB   PRO  96          2HB       PRO  96 -11.540  11.522  12.536
  736   2HB   PRO  96          1HB       PRO  96 -10.771  11.704  14.118
  737   1HG   PRO  96          2HG       PRO  96 -11.243  13.839  12.625
  738   2HG   PRO  96          1HG       PRO  96  -9.719  13.694  13.520
  739   1HD   PRO  96          2HD       PRO  96 -10.250  13.294  10.608
  740   2HD   PRO  96          1HD       PRO  96  -8.848  14.031  11.408
  741    H    VAL  97           H        VAL  97  -8.533   8.817  13.256
  742    HA   VAL  97           HA       VAL  97 -10.158   7.300  11.334
  743    HB   VAL  97           HB       VAL  97  -8.606   5.433  11.709
  744   1HG1  VAL  97          1HG1      VAL  97  -7.238   8.033  11.011
  745   2HG1  VAL  97          2HG1      VAL  97  -8.131   6.987   9.908
  746   3HG1  VAL  97          3HG1      VAL  97  -6.628   6.421  10.635
  747   1HG2  VAL  97          1HG2      VAL  97  -7.131   7.373  13.500
  748   2HG2  VAL  97          2HG2      VAL  97  -6.546   5.783  13.005
  749   3HG2  VAL  97          3HG2      VAL  97  -7.984   5.919  14.017
  750    H    ASP  98           H        ASP  98 -10.376   8.288  14.405
  751    HA   ASP  98           HA       ASP  98 -10.944   5.962  15.883
  752   1HB   ASP  98          2HB       ASP  98 -11.944   7.479  17.512
  753   2HB   ASP  98          1HB       ASP  98 -10.412   8.113  16.926
  754    H    GLY  99           H        GLY  99 -12.406   6.383  13.239
  755   1HA   GLY  99          2HA       GLY  99 -15.123   5.882  14.278
  756   2HA   GLY  99          1HA       GLY  99 -14.858   6.935  12.897
  757    H    LEU 100           H        LEU 100 -12.723   4.280  13.029
  758    HA   LEU 100           HA       LEU 100 -14.523   2.533  11.583
  759   1HB   LEU 100          2HB       LEU 100 -12.763   2.133   9.793
  760   2HB   LEU 100          1HB       LEU 100 -13.737   3.570   9.667
  761    HG   LEU 100           HG       LEU 100 -11.400   3.890   8.993
  762   1HD1  LEU 100          1HD1      LEU 100 -12.657   5.804   9.709
  763   2HD1  LEU 100          2HD1      LEU 100 -10.976   5.948  10.221
  764   3HD1  LEU 100          3HD1      LEU 100 -12.218   5.493  11.389
  765   1HD2  LEU 100          1HD2      LEU 100 -10.766   3.341  11.875
  766   2HD2  LEU 100          2HD2      LEU 100  -9.643   4.011  10.690
  767   3HD2  LEU 100          3HD2      LEU 100 -10.281   2.380  10.478
  768    H    LYS 101           H        LYS 101 -13.140   0.474  10.874
  769    HA   LYS 101           HA       LYS 101 -12.343  -0.623  13.404
  770   1HB   LYS 101          2HB       LYS 101 -12.542  -1.801  10.633
  771   2HB   LYS 101          1HB       LYS 101 -11.978  -2.720  12.019
  772   1HG   LYS 101          2HG       LYS 101 -14.114  -2.367  13.138
  773   2HG   LYS 101          1HG       LYS 101 -14.684  -1.429  11.756
  774   1HD   LYS 101          2HD       LYS 101 -15.509  -3.749  11.709
  775   2HD   LYS 101          1HD       LYS 101 -14.488  -3.378  10.320
  776   1HE   LYS 101          2HE       LYS 101 -12.594  -4.475  11.427
  777   2HE   LYS 101          1HE       LYS 101 -13.622  -4.849  12.810
  778   1HZ   LYS 101          1HZ       LYS 101 -14.921  -6.313  11.500
  779   2HZ   LYS 101          2HZ       LYS 101 -13.302  -6.696  11.164
  780   3HZ   LYS 101          3HZ       LYS 101 -14.206  -5.788  10.055
  781    H    LEU 102           H        LEU 102 -10.373  -1.346  14.036
  782    HA   LEU 102           HA       LEU 102  -8.078  -0.624  12.335
  783   1HB   LEU 102          2HB       LEU 102  -8.070   0.573  14.436
  784   2HB   LEU 102          1HB       LEU 102  -8.293  -0.915  15.335
  785    HG   LEU 102           HG       LEU 102  -6.055  -1.672  14.638
  786   1HD1  LEU 102          1HD1      LEU 102  -5.914  -0.496  12.507
  787   2HD1  LEU 102          2HD1      LEU 102  -4.531  -0.120  13.535
  788   3HD1  LEU 102          3HD1      LEU 102  -5.841   1.047  13.357
  789   1HD2  LEU 102          1HD2      LEU 102  -4.770  -0.094  15.985
  790   2HD2  LEU 102          2HD2      LEU 102  -6.325  -0.459  16.734
  791   3HD2  LEU 102          3HD2      LEU 102  -6.090   1.070  15.886
  792    H    ILE 103           H        ILE 103  -7.358  -2.326  11.285
  793    HA   ILE 103           HA       ILE 103  -7.540  -4.986  12.470
  794    HB   ILE 103           HB       ILE 103  -6.889  -4.185   9.624
  795   1HG1  ILE 103          2HG1      ILE 103  -9.466  -5.291  10.757
  796   2HG1  ILE 103          1HG1      ILE 103  -9.213  -3.618  10.273
  797   1HG2  ILE 103          1HG2      ILE 103  -7.491  -6.881  10.831
  798   2HG2  ILE 103          2HG2      ILE 103  -5.933  -6.327  10.219
  799   3HG2  ILE 103          3HG2      ILE 103  -7.286  -6.552   9.110
  800   1HD1  ILE 103          1HD1      ILE 103  -8.817  -4.366   7.967
  801   2HD1  ILE 103          2HD1      ILE 103 -10.416  -4.821   8.559
  802   3HD1  ILE 103          3HD1      ILE 103  -9.133  -6.029   8.466
  803    H    GLU 104           H        GLU 104  -5.810  -4.906  13.849
  804    HA   GLU 104           HA       GLU 104  -3.247  -3.910  13.163
  805   1HB   GLU 104          2HB       GLU 104  -3.308  -6.083  15.152
  806   2HB   GLU 104          1HB       GLU 104  -2.664  -4.455  15.290
  807   1HG   GLU 104          2HG       GLU 104  -4.350  -4.398  16.831
  808   2HG   GLU 104          1HG       GLU 104  -5.181  -3.775  15.408
  809    H    SER 105           H        SER 105  -4.930  -6.814  12.547
  810    HA   SER 105           HA       SER 105  -2.634  -8.504  12.226
  811   1HB   SER 105          2HB       SER 105  -4.427 -10.019  11.116
  812   2HB   SER 105          1HB       SER 105  -4.541  -9.682  12.845
  813    HG   SER 105           HG       SER 105  -6.337  -9.202  10.951
  814    H    GLY 106           H        GLY 106  -4.132  -6.172  10.282
  815   1HA   GLY 106          2HA       GLY 106  -3.573  -5.380   8.202
  816   2HA   GLY 106          1HA       GLY 106  -2.212  -6.489   8.220
  817    H    ASP 107           H        ASP 107  -5.576  -7.448   8.498
  818    HA   ASP 107           HA       ASP 107  -5.365  -8.698   5.840
  819   1HB   ASP 107          2HB       ASP 107  -6.894 -10.452   6.666
  820   2HB   ASP 107          1HB       ASP 107  -5.406 -10.394   7.603
  821    H    TRP 108           H        TRP 108  -7.741  -9.282   5.074
  822    HA   TRP 108           HA       TRP 108  -9.441  -6.929   5.596
  823   1HB   TRP 108          2HB       TRP 108 -10.177  -8.188   3.128
  824   2HB   TRP 108          1HB       TRP 108  -9.613  -6.547   3.389
  825    HD1  TRP 108           HD1      TRP 108  -8.612  -9.740   1.793
  826    HE1  TRP 108           HE1      TRP 108  -6.170  -9.557   0.944
  827    HE3  TRP 108           HE3      TRP 108  -7.311  -5.466   4.179
  828    HZ2  TRP 108           HZ2      TRP 108  -3.978  -7.773   1.296
  829    HZ3  TRP 108           HZ3      TRP 108  -5.065  -4.582   3.919
  830    HH2  TRP 108           HH2      TRP 108  -3.409  -5.701   2.497
  831    H    LEU 109           H        LEU 109  -9.206 -10.372   5.128
  832    HA   LEU 109           HA       LEU 109 -12.087 -10.737   5.424
  833   1HB   LEU 109          2HB       LEU 109  -9.854 -12.500   4.505
  834   2HB   LEU 109          1HB       LEU 109 -11.371 -13.204   5.016
  835    HG   LEU 109           HG       LEU 109 -12.525 -11.854   3.257
  836   1HD1  LEU 109          1HD1      LEU 109  -9.715 -11.238   2.368
  837   2HD1  LEU 109          2HD1      LEU 109 -10.882 -10.077   3.001
  838   3HD1  LEU 109          3HD1      LEU 109 -11.189 -10.886   1.465
  839   1HD2  LEU 109          1HD2      LEU 109 -11.744 -13.247   1.391
  840   2HD2  LEU 109          2HD2      LEU 109 -11.978 -14.171   2.876
  841   3HD2  LEU 109          3HD2      LEU 109 -10.350 -13.729   2.360
  842    H    ASP 110           H        ASP 110  -9.240 -10.852   7.185
  843    HA   ASP 110           HA       ASP 110  -8.545 -11.491   9.197
  844   1HB   ASP 110          2HB       ASP 110 -10.019 -11.284  11.079
  845   2HB   ASP 110          1HB       ASP 110 -10.359 -10.009   9.924
  846    H    ARG 111           H        ARG 111 -10.095 -13.605   7.350
  847    HA   ARG 111           HA       ARG 111  -9.372 -15.796   9.150
  848   1HB   ARG 111          2HB       ARG 111 -11.668 -15.702   7.204
  849   2HB   ARG 111          1HB       ARG 111 -11.140 -17.137   8.077
  850   1HG   ARG 111          2HG       ARG 111 -12.075 -16.476   9.994
  851   2HG   ARG 111          1HG       ARG 111 -11.624 -14.789   9.745
  852   1HD   ARG 111          2HD       ARG 111 -13.595 -15.512   7.810
  853   2HD   ARG 111          1HD       ARG 111 -14.160 -15.974   9.412
  854    HE   ARG 111           HE       ARG 111 -13.035 -13.369   9.440
  855   1HH1  ARG 111          1HH1      ARG 111 -15.988 -15.095   8.601
  856   2HH1  ARG 111          2HH1      ARG 111 -16.977 -13.678   8.759
  857   1HH2  ARG 111          1HH2      ARG 111 -14.314 -11.554   9.615
  858   2HH2  ARG 111          2HH2      ARG 111 -16.030 -11.662   9.318
  859    H    ASP 112           H        ASP 112  -7.359 -15.702   8.206
  860    HA   ASP 112           HA       ASP 112  -7.051 -16.242   5.370
  861   1HB   ASP 112          2HB       ASP 112  -4.923 -15.960   7.493
  862   2HB   ASP 112          1HB       ASP 112  -4.679 -15.949   5.761
  863    H    LYS 113           H        LYS 113  -7.764 -18.050   7.932
  864    HA   LYS 113           HA       LYS 113  -5.827 -20.132   7.776
  865   1HB   LYS 113          2HB       LYS 113  -7.098 -19.585   9.843
  866   2HB   LYS 113          1HB       LYS 113  -8.555 -20.169   9.051
  867   1HG   LYS 113          2HG       LYS 113  -7.394 -22.386   8.795
  868   2HG   LYS 113          1HG       LYS 113  -6.137 -21.749   9.852
  869   1HD   LYS 113          2HD       LYS 113  -9.052 -22.146  10.508
  870   2HD   LYS 113          1HD       LYS 113  -7.679 -23.019  11.185
  871   1HE   LYS 113          2HE       LYS 113  -8.188 -20.068  11.520
  872   2HE   LYS 113          1HE       LYS 113  -8.595 -21.300  12.710
  873   1HZ   LYS 113          1HZ       LYS 113  -6.291 -21.833  12.963
  874   2HZ   LYS 113          2HZ       LYS 113  -6.489 -20.159  13.169
  875   3HZ   LYS 113          3HZ       LYS 113  -5.848 -20.763  11.722
  Start of MODEL    3
    1   1H    MET   1          1HT       MET   1   5.977   2.527 -13.651
    2   2H    MET   1          2HT       MET   1   4.851   1.314 -13.281
    3   3H    MET   1          3HT       MET   1   6.485   1.102 -12.887
    4    HA   MET   1           HA       MET   1   6.378   2.889 -11.311
    5   1HB   MET   1          2HB       MET   1   4.363   3.853 -12.737
    6   2HB   MET   1          1HB       MET   1   3.429   2.997 -11.520
    7   1HG   MET   1          2HG       MET   1   5.583   4.971 -10.841
    8   2HG   MET   1          1HG       MET   1   3.891   5.418 -11.054
    9   1HE   MET   1          1HE       MET   1   2.165   3.241  -8.343
   10   2HE   MET   1          2HE       MET   1   2.628   2.650  -9.942
   11   3HE   MET   1          3HE       MET   1   1.964   4.273  -9.764
   12    H    ARG   2           H        ARG   2   6.015   2.213  -9.115
   13    HA   ARG   2           HA       ARG   2   4.567  -0.338  -8.887
   14   1HB   ARG   2          2HB       ARG   2   7.322   0.380  -8.083
   15   2HB   ARG   2          1HB       ARG   2   6.412  -0.623  -6.965
   16   1HG   ARG   2          2HG       ARG   2   6.124  -2.328  -8.574
   17   2HG   ARG   2          1HG       ARG   2   6.688  -1.284  -9.879
   18   1HD   ARG   2          2HD       ARG   2   8.436  -2.041  -7.557
   19   2HD   ARG   2          1HD       ARG   2   8.313  -3.035  -9.007
   20    HE   ARG   2           HE       ARG   2   8.932  -0.265  -9.509
   21   1HH1  ARG   2          1HH1      ARG   2  10.254  -3.434  -8.806
   22   2HH1  ARG   2          2HH1      ARG   2  11.777  -3.097  -9.574
   23   1HH2  ARG   2          1HH2      ARG   2  10.922   0.164 -10.528
   24   2HH2  ARG   2          2HH2      ARG   2  12.164  -1.060 -10.549
   25    H    ILE   3           H        ILE   3   3.231  -0.622  -7.240
   26    HA   ILE   3           HA       ILE   3   3.153   1.402  -5.121
   27    HB   ILE   3           HB       ILE   3   1.579   2.116  -6.890
   28   1HG1  ILE   3          2HG1      ILE   3   0.203   1.135  -4.376
   29   2HG1  ILE   3          1HG1      ILE   3   1.110   2.637  -4.522
   30   1HG2  ILE   3          1HG2      ILE   3  -0.446   0.793  -7.334
   31   2HG2  ILE   3          2HG2      ILE   3   0.203  -0.512  -6.340
   32   3HG2  ILE   3          3HG2      ILE   3   1.024  -0.047  -7.829
   33   1HD1  ILE   3          1HD1      ILE   3  -1.419   1.947  -5.998
   34   2HD1  ILE   3          2HD1      ILE   3  -0.508   3.451  -6.161
   35   3HD1  ILE   3          3HD1      ILE   3  -1.274   3.044  -4.625
   36    H    PHE   4           H        PHE   4   2.235   0.703  -3.188
   37    HA   PHE   4           HA       PHE   4   2.074  -2.194  -2.880
   38   1HB   PHE   4          2HB       PHE   4   3.491  -0.856  -1.343
   39   2HB   PHE   4          1HB       PHE   4   2.065   0.021  -0.815
   40    HD1  PHE   4           HD1      PHE   4   3.626  -3.332  -0.891
   41    HD2  PHE   4           HD2      PHE   4   0.726  -0.793   0.918
   42    HE1  PHE   4           HE1      PHE   4   3.281  -4.996   0.881
   43    HE2  PHE   4           HE2      PHE   4   0.374  -2.459   2.697
   44    HZ   PHE   4           HZ       PHE   4   1.655  -4.562   2.678
   45    H    VAL   5           H        VAL   5   0.118  -3.098  -3.130
   46    HA   VAL   5           HA       VAL   5  -2.245  -1.406  -2.813
   47    HB   VAL   5           HB       VAL   5  -2.004  -4.146  -4.068
   48   1HG1  VAL   5          1HG1      VAL   5  -4.248  -3.702  -4.954
   49   2HG1  VAL   5          2HG1      VAL   5  -4.300  -2.187  -4.053
   50   3HG1  VAL   5          3HG1      VAL   5  -4.241  -3.723  -3.190
   51   1HG2  VAL   5          1HG2      VAL   5  -2.253  -2.953  -6.201
   52   2HG2  VAL   5          2HG2      VAL   5  -0.796  -2.457  -5.341
   53   3HG2  VAL   5          3HG2      VAL   5  -2.219  -1.415  -5.337
   54    H    TYR   6           H        TYR   6  -3.591  -1.608  -1.190
   55    HA   TYR   6           HA       TYR   6  -3.618  -4.063   0.402
   56   1HB   TYR   6          2HB       TYR   6  -3.773  -2.547   2.468
   57   2HB   TYR   6          1HB       TYR   6  -2.191  -2.716   1.717
   58    HD1  TYR   6           HD1      TYR   6  -4.876  -0.417   2.561
   59    HD2  TYR   6           HD2      TYR   6  -1.285  -0.871   0.326
   60    HE1  TYR   6           HE1      TYR   6  -4.729   2.023   2.300
   61    HE2  TYR   6           HE2      TYR   6  -1.130   1.566   0.066
   62    HH   TYR   6           HH       TYR   6  -2.772   3.721   1.875
   63    H    GLY   7           H        GLY   7  -5.200  -0.962  -0.304
   64   1HA   GLY   7          2HA       GLY   7  -7.658  -1.669   0.943
   65   2HA   GLY   7          1HA       GLY   7  -7.405  -0.326  -0.162
   66    H    SER   8           H        SER   8  -8.001  -3.787   0.038
   67    HA   SER   8           HA       SER   8  -8.844  -5.326  -1.378
   68   1HB   SER   8          2HB       SER   8 -10.904  -4.620  -2.630
   69   2HB   SER   8          1HB       SER   8 -10.919  -4.240  -0.911
   70    HG   SER   8           HG       SER   8  -9.864  -2.220  -2.412
   71    H    LEU   9           H        LEU   9  -7.261  -5.963  -2.718
   72    HA   LEU   9           HA       LEU   9  -6.070  -4.482  -4.734
   73   1HB   LEU   9          2HB       LEU   9  -5.099  -6.504  -5.543
   74   2HB   LEU   9          1HB       LEU   9  -5.166  -6.593  -3.795
   75    HG   LEU   9           HG       LEU   9  -7.232  -7.918  -5.547
   76   1HD1  LEU   9          1HD1      LEU   9  -5.970  -9.985  -5.289
   77   2HD1  LEU   9          2HD1      LEU   9  -4.685  -9.107  -4.460
   78   3HD1  LEU   9          3HD1      LEU   9  -5.028  -8.773  -6.158
   79   1HD2  LEU   9          1HD2      LEU   9  -6.363  -8.361  -2.689
   80   2HD2  LEU   9          2HD2      LEU   9  -7.563  -9.322  -3.554
   81   3HD2  LEU   9          3HD2      LEU   9  -7.872  -7.618  -3.219
   82    H    ARG  10           H        ARG  10  -8.984  -6.453  -4.870
   83    HA   ARG  10           HA       ARG  10  -9.319  -6.418  -7.666
   84   1HB   ARG  10          2HB       ARG  10 -11.342  -6.589  -5.430
   85   2HB   ARG  10          1HB       ARG  10 -11.772  -6.722  -7.129
   86   1HG   ARG  10          2HG       ARG  10 -10.227  -8.656  -7.310
   87   2HG   ARG  10          1HG       ARG  10  -9.978  -8.560  -5.566
   88   1HD   ARG  10          2HD       ARG  10 -12.356  -8.927  -5.193
   89   2HD   ARG  10          1HD       ARG  10 -12.635  -8.973  -6.933
   90    HE   ARG  10           HE       ARG  10 -10.719 -10.908  -5.938
   91   1HH1  ARG  10          1HH1      ARG  10 -14.076 -10.272  -6.759
   92   2HH1  ARG  10          2HH1      ARG  10 -14.483 -11.959  -6.916
   93   1HH2  ARG  10          1HH2      ARG  10 -11.242 -13.097  -6.186
   94   2HH2  ARG  10          2HH2      ARG  10 -12.858 -13.570  -6.616
   95    H    HIS  11           H        HIS  11 -10.897  -4.401  -5.201
   96    HA   HIS  11           HA       HIS  11 -11.721  -2.301  -5.210
   97   1HB   HIS  11          2HB       HIS  11  -9.380  -1.706  -5.653
   98   2HB   HIS  11          1HB       HIS  11  -9.664  -1.857  -7.383
   99    HD1  HIS  11           HD1      HIS  11 -10.410   0.216  -8.569
  100    HD2  HIS  11           HD2      HIS  11 -10.925   0.483  -4.451
  101    HE1  HIS  11           HE1      HIS  11 -11.134   2.584  -8.129
  102    HE2  HIS  11           HE2      HIS  11 -11.594   2.675  -5.650
  103    H    LYS  12           H        LYS  12 -10.949  -2.275  -8.649
  104    HA   LYS  12           HA       LYS  12 -13.344  -2.988  -9.778
  105   1HB   LYS  12          2HB       LYS  12 -14.208  -1.043  -8.372
  106   2HB   LYS  12          1HB       LYS  12 -13.278   0.014  -9.426
  107   1HG   LYS  12          2HG       LYS  12 -14.587  -0.577 -11.313
  108   2HG   LYS  12          1HG       LYS  12 -15.373  -1.891 -10.435
  109   1HD   LYS  12          2HD       LYS  12 -16.295  -0.165  -8.869
  110   2HD   LYS  12          1HD       LYS  12 -15.673   1.068  -9.970
  111   1HE   LYS  12          2HE       LYS  12 -17.070   0.262 -11.745
  112   2HE   LYS  12          1HE       LYS  12 -17.581  -1.120 -10.775
  113   1HZ   LYS  12          1HZ       LYS  12 -18.601   0.441  -9.208
  114   2HZ   LYS  12          2HZ       LYS  12 -19.279   0.557 -10.760
  115   3HZ   LYS  12          3HZ       LYS  12 -18.183   1.737 -10.221
  116    H    GLN  13           H        GLN  13 -12.571  -3.457 -11.716
  117    HA   GLN  13           HA       GLN  13 -10.875  -1.479 -13.049
  118   1HB   GLN  13          2HB       GLN  13  -9.596  -3.302 -14.103
  119   2HB   GLN  13          1HB       GLN  13  -9.422  -3.271 -12.360
  120   1HG   GLN  13          2HG       GLN  13 -11.222  -5.146 -13.876
  121   2HG   GLN  13          1HG       GLN  13  -9.612  -5.542 -13.272
  122   1HE2  GLN  13          1HE2      GLN  13  -9.275  -5.413 -10.987
  123   2HE2  GLN  13          2HE2      GLN  13 -10.587  -5.683  -9.909
  124    H    GLY  14           H        GLY  14 -10.706  -3.105 -15.469
  125   1HA   GLY  14          2HA       GLY  14 -12.219  -4.074 -17.064
  126   2HA   GLY  14          1HA       GLY  14 -13.528  -3.197 -16.287
  127    H    ASN  15           H        ASN  15 -12.141  -0.691 -16.110
  128    HA   ASN  15           HA       ASN  15 -11.851   0.027 -18.939
  129   1HB   ASN  15          2HB       ASN  15 -13.435   1.818 -18.813
  130   2HB   ASN  15          1HB       ASN  15 -14.237   0.373 -18.216
  131   1HD2  ASN  15          1HD2      ASN  15 -14.722   0.212 -16.005
  132   2HD2  ASN  15          2HD2      ASN  15 -14.730   1.603 -14.973
  133    H    SER  16           H        SER  16 -11.444   0.897 -15.566
  134    HA   SER  16           HA       SER  16  -9.893   3.227 -16.087
  135   1HB   SER  16          2HB       SER  16  -9.961   1.612 -13.532
  136   2HB   SER  16          1HB       SER  16  -9.606   3.330 -13.716
  137    HG   SER  16           HG       SER  16 -11.711   3.203 -13.056
  138    H    HIS  17           H        HIS  17  -7.641   3.401 -15.121
  139    HA   HIS  17           HA       HIS  17  -5.898   1.600 -16.479
  140   1HB   HIS  17          2HB       HIS  17  -5.410   3.836 -14.519
  141   2HB   HIS  17          1HB       HIS  17  -4.103   2.904 -15.236
  142    HD1  HIS  17           HD1      HIS  17  -5.521   6.032 -15.633
  143    HD2  HIS  17           HD2      HIS  17  -4.711   2.944 -18.314
  144    HE1  HIS  17           HE1      HIS  17  -5.377   7.111 -17.905
  145    HE2  HIS  17           HE2      HIS  17  -4.978   5.216 -19.521
  146    H    TRP  18           H        TRP  18  -7.601   0.801 -13.924
  147    HA   TRP  18           HA       TRP  18  -5.600  -0.046 -12.060
  148   1HB   TRP  18          2HB       TRP  18  -7.981   0.580 -11.469
  149   2HB   TRP  18          1HB       TRP  18  -8.485  -0.952 -12.181
  150    HD1  TRP  18           HD1      TRP  18  -8.764  -2.808 -10.421
  151    HE1  TRP  18           HE1      TRP  18  -7.719  -3.361  -8.130
  152    HE3  TRP  18           HE3      TRP  18  -5.435   1.068 -10.079
  153    HZ2  TRP  18           HZ2      TRP  18  -5.757  -2.302  -6.419
  154    HZ3  TRP  18           HZ3      TRP  18  -4.003   1.215  -8.080
  155    HH2  TRP  18           HH2      TRP  18  -4.169  -0.437  -6.288
  156    H    MET  19           H        MET  19  -7.202  -1.430 -14.805
  157    HA   MET  19           HA       MET  19  -6.113  -4.086 -14.189
  158   1HB   MET  19          2HB       MET  19  -8.482  -3.993 -14.847
  159   2HB   MET  19          1HB       MET  19  -8.035  -3.215 -16.358
  160   1HG   MET  19          2HG       MET  19  -8.483  -5.528 -16.764
  161   2HG   MET  19          1HG       MET  19  -6.761  -5.228 -16.983
  162   1HE   MET  19          1HE       MET  19  -6.717  -8.862 -15.604
  163   2HE   MET  19          2HE       MET  19  -6.170  -7.769 -16.877
  164   3HE   MET  19          3HE       MET  19  -7.884  -8.160 -16.725
  165    H    THR  20           H        THR  20  -6.019  -1.497 -16.530
  166    HA   THR  20           HA       THR  20  -4.327  -2.925 -18.360
  167    HB   THR  20           HB       THR  20  -4.957   0.023 -18.395
  168    HG1  THR  20           HG1      THR  20  -6.910  -0.446 -19.237
  169   1HG2  THR  20          1HG2      THR  20  -4.389  -1.956 -20.609
  170   2HG2  THR  20          2HG2      THR  20  -3.251  -0.763 -19.981
  171   3HG2  THR  20          3HG2      THR  20  -4.712  -0.235 -20.815
  172    H    ASN  21           H        ASN  21  -2.168  -2.838 -18.505
  173    HA   ASN  21           HA       ASN  21   0.005  -2.179 -18.299
  174   1HB   ASN  21          2HB       ASN  21  -0.933   0.246 -16.765
  175   2HB   ASN  21          1HB       ASN  21   0.626   0.013 -17.544
  176   1HD2  ASN  21          1HD2      ASN  21  -1.532   2.035 -17.830
  177   2HD2  ASN  21          2HD2      ASN  21  -1.893   2.085 -19.522
  178    H    ALA  22           H        ALA  22  -1.959  -3.185 -15.989
  179    HA   ALA  22           HA       ALA  22  -0.073  -2.878 -13.767
  180   1HB   ALA  22          1HB       ALA  22  -1.893  -3.524 -12.318
  181   2HB   ALA  22          2HB       ALA  22  -2.912  -3.891 -13.709
  182   3HB   ALA  22          3HB       ALA  22  -2.426  -2.227 -13.387
  183    H    GLN  23           H        GLN  23   1.041  -4.537 -12.965
  184    HA   GLN  23           HA       GLN  23   0.156  -7.265 -13.566
  185   1HB   GLN  23          2HB       GLN  23   2.437  -7.994 -14.031
  186   2HB   GLN  23          1HB       GLN  23   1.950  -6.745 -15.166
  187   1HG   GLN  23          2HG       GLN  23   3.237  -5.097 -13.970
  188   2HG   GLN  23          1HG       GLN  23   3.650  -6.282 -12.730
  189   1HE2  GLN  23          1HE2      GLN  23   5.847  -6.054 -13.079
  190   2HE2  GLN  23          2HE2      GLN  23   6.635  -6.687 -14.485
  191    H    LEU  24           H        LEU  24   0.541  -8.754 -11.964
  192    HA   LEU  24           HA       LEU  24   1.030  -7.669  -9.335
  193   1HB   LEU  24          2HB       LEU  24  -0.701  -9.340  -9.627
  194   2HB   LEU  24          1HB       LEU  24   0.459 -10.476 -10.289
  195    HG   LEU  24           HG       LEU  24   1.595 -10.574  -8.095
  196   1HD1  LEU  24          1HD1      LEU  24   0.500  -9.626  -6.126
  197   2HD1  LEU  24          2HD1      LEU  24  -0.677  -8.826  -7.170
  198   3HD1  LEU  24          3HD1      LEU  24   1.025  -8.374  -7.250
  199   1HD2  LEU  24          1HD2      LEU  24  -0.140 -11.853  -6.940
  200   2HD2  LEU  24          2HD2      LEU  24  -0.113 -12.215  -8.664
  201   3HD2  LEU  24          3HD2      LEU  24  -1.362 -11.159  -8.005
  202    H    LEU  25           H        LEU  25   2.878  -7.711  -8.246
  203    HA   LEU  25           HA       LEU  25   5.189  -9.015  -9.460
  204   1HB   LEU  25          2HB       LEU  25   4.942  -7.090  -7.149
  205   2HB   LEU  25          1HB       LEU  25   6.457  -7.753  -7.718
  206    HG   LEU  25           HG       LEU  25   4.608  -5.992  -9.322
  207   1HD1  LEU  25          1HD1      LEU  25   7.282  -5.406  -8.063
  208   2HD1  LEU  25          2HD1      LEU  25   5.720  -4.798  -7.511
  209   3HD1  LEU  25          3HD1      LEU  25   6.351  -4.310  -9.085
  210   1HD2  LEU  25          1HD2      LEU  25   5.815  -7.572 -10.731
  211   2HD2  LEU  25          2HD2      LEU  25   7.338  -7.094  -9.982
  212   3HD2  LEU  25          3HD2      LEU  25   6.433  -5.936 -10.955
  213    H    GLY  26           H        GLY  26   3.411  -8.912  -6.400
  214   1HA   GLY  26          2HA       GLY  26   3.192 -11.540  -5.887
  215   2HA   GLY  26          1HA       GLY  26   4.844 -11.210  -5.373
  216    H    ASP  27           H        ASP  27   3.332 -12.099  -3.425
  217    HA   ASP  27           HA       ASP  27   2.030  -9.910  -2.054
  218   1HB   ASP  27          2HB       ASP  27   1.015 -11.982  -1.613
  219   2HB   ASP  27          1HB       ASP  27   2.559 -12.757  -1.339
  220    H    PHE  28           H        PHE  28   2.632  -9.016  -0.261
  221    HA   PHE  28           HA       PHE  28   5.198  -9.543   0.969
  222   1HB   PHE  28          2HB       PHE  28   5.820  -8.032  -0.874
  223   2HB   PHE  28          1HB       PHE  28   4.647  -6.852  -0.305
  224    HD1  PHE  28           HD1      PHE  28   7.078  -8.884   1.649
  225    HD2  PHE  28           HD2      PHE  28   5.914  -5.019   0.303
  226    HE1  PHE  28           HE1      PHE  28   8.803  -7.865   3.081
  227    HE2  PHE  28           HE2      PHE  28   7.635  -3.996   1.727
  228    HZ   PHE  28           HZ       PHE  28   9.078  -5.418   3.127
  229    H    SER  29           H        SER  29   3.898 -10.069   2.711
  230    HA   SER  29           HA       SER  29   2.145  -8.091   3.878
  231   1HB   SER  29          2HB       SER  29   3.050 -10.783   4.941
  232   2HB   SER  29          1HB       SER  29   1.725  -9.809   5.578
  233    HG   SER  29           HG       SER  29   1.864 -10.875   2.938
  234    H    ILE  30           H        ILE  30   2.714  -6.628   5.393
  235    HA   ILE  30           HA       ILE  30   5.497  -6.800   6.337
  236    HB   ILE  30           HB       ILE  30   5.437  -4.295   6.449
  237   1HG1  ILE  30          2HG1      ILE  30   2.902  -4.716   4.859
  238   2HG1  ILE  30          1HG1      ILE  30   3.038  -3.924   6.423
  239   1HG2  ILE  30          1HG2      ILE  30   6.583  -5.481   4.682
  240   2HG2  ILE  30          2HG2      ILE  30   5.832  -4.014   4.051
  241   3HG2  ILE  30          3HG2      ILE  30   5.085  -5.584   3.757
  242   1HD1  ILE  30          1HD1      ILE  30   4.306  -2.116   5.422
  243   2HD1  ILE  30          2HD1      ILE  30   2.765  -2.326   4.589
  244   3HD1  ILE  30          3HD1      ILE  30   4.254  -2.923   3.855
  245    H    ASP  31           H        ASP  31   5.855  -6.848   8.374
  246    HA   ASP  31           HA       ASP  31   3.676  -6.656  10.256
  247   1HB   ASP  31          2HB       ASP  31   5.428  -7.433  11.872
  248   2HB   ASP  31          1HB       ASP  31   5.174  -8.521  10.515
  249    H    ASN  32           H        ASN  32   3.849  -5.433  12.195
  250    HA   ASN  32           HA       ASN  32   4.109  -3.554  13.408
  251   1HB   ASN  32          2HB       ASN  32   6.630  -3.260  11.781
  252   2HB   ASN  32          1HB       ASN  32   6.169  -2.140  13.061
  253   1HD2  ASN  32          1HD2      ASN  32   7.303  -5.339  12.315
  254   2HD2  ASN  32          2HD2      ASN  32   7.689  -5.801  13.933
  255    H    TYR  33           H        TYR  33   2.580  -3.688  10.972
  256    HA   TYR  33           HA       TYR  33   2.146  -0.793  10.755
  257   1HB   TYR  33          2HB       TYR  33   1.938  -2.736   8.439
  258   2HB   TYR  33          1HB       TYR  33   1.405  -1.069   8.401
  259    HD1  TYR  33           HD1      TYR  33   2.960   0.725   8.103
  260    HD2  TYR  33           HD2      TYR  33   4.359  -3.269   8.505
  261    HE1  TYR  33           HE1      TYR  33   5.174   1.431   7.309
  262    HE2  TYR  33           HE2      TYR  33   6.582  -2.576   7.713
  263    HH   TYR  33           HH       TYR  33   7.560  -0.768   6.343
  264    H    GLN  34           H        GLN  34  -0.160  -0.359  10.016
  265    HA   GLN  34           HA       GLN  34  -1.991  -2.504  10.845
  266   1HB   GLN  34          2HB       GLN  34  -1.994   0.327  11.906
  267   2HB   GLN  34          1HB       GLN  34  -3.287  -0.838  12.171
  268   1HG   GLN  34          2HG       GLN  34  -1.911  -2.227  13.479
  269   2HG   GLN  34          1HG       GLN  34  -0.449  -1.388  12.969
  270   1HE2  GLN  34          1HE2      GLN  34  -1.445  -1.923  15.650
  271   2HE2  GLN  34          2HE2      GLN  34  -1.592  -0.373  16.420
  272    H    LEU  35           H        LEU  35  -4.015  -2.460   9.906
  273    HA   LEU  35           HA       LEU  35  -4.241  -0.689   7.564
  274   1HB   LEU  35          2HB       LEU  35  -4.155  -3.169   7.217
  275   2HB   LEU  35          1HB       LEU  35  -5.642  -3.310   8.133
  276    HG   LEU  35           HG       LEU  35  -6.668  -1.755   6.365
  277   1HD1  LEU  35          1HD1      LEU  35  -4.572  -1.011   5.365
  278   2HD1  LEU  35          2HD1      LEU  35  -5.603  -1.812   4.178
  279   3HD1  LEU  35          3HD1      LEU  35  -4.219  -2.665   4.863
  280   1HD2  LEU  35          1HD2      LEU  35  -7.187  -4.137   6.577
  281   2HD2  LEU  35          2HD2      LEU  35  -5.789  -4.534   5.579
  282   3HD2  LEU  35          3HD2      LEU  35  -7.143  -3.637   4.887
  283    H    TYR  36           H        TYR  36  -5.866   0.767   7.474
  284    HA   TYR  36           HA       TYR  36  -7.976   0.659   9.518
  285   1HB   TYR  36          2HB       TYR  36  -7.234   2.859   7.575
  286   2HB   TYR  36          1HB       TYR  36  -8.525   2.957   8.765
  287    HD1  TYR  36           HD1      TYR  36  -5.091   3.536   8.114
  288    HD2  TYR  36           HD2      TYR  36  -7.853   2.708  11.240
  289    HE1  TYR  36           HE1      TYR  36  -3.490   4.433   9.742
  290    HE2  TYR  36           HE2      TYR  36  -6.262   3.600  12.893
  291    HH   TYR  36           HH       TYR  36  -3.457   5.360  11.973
  292    H    SER  37           H        SER  37  -9.984   0.023   8.997
  293    HA   SER  37           HA       SER  37 -10.663  -0.084   6.140
  294   1HB   SER  37          2HB       SER  37 -12.382  -1.786   6.826
  295   2HB   SER  37          1HB       SER  37 -10.712  -2.291   7.076
  296    HG   SER  37           HG       SER  37 -11.061  -1.468   9.310
  297    H    LEU  38           H        LEU  38 -12.195   1.204   5.404
  298    HA   LEU  38           HA       LEU  38 -14.223   2.261   7.217
  299   1HB   LEU  38          2HB       LEU  38 -13.909   4.555   6.264
  300   2HB   LEU  38          1HB       LEU  38 -12.612   4.004   7.304
  301    HG   LEU  38           HG       LEU  38 -12.320   3.688   4.344
  302   1HD1  LEU  38          1HD1      LEU  38 -13.069   6.004   4.675
  303   2HD1  LEU  38          2HD1      LEU  38 -11.375   5.925   4.189
  304   3HD1  LEU  38          3HD1      LEU  38 -11.797   6.238   5.872
  305   1HD2  LEU  38          1HD2      LEU  38  -9.963   4.008   4.897
  306   2HD2  LEU  38          2HD2      LEU  38 -10.661   2.710   5.866
  307   3HD2  LEU  38          3HD2      LEU  38 -10.390   4.297   6.585
  308    H    GLY  39           H        GLY  39 -13.894   0.437   4.748
  309   1HA   GLY  39          2HA       GLY  39 -15.478  -0.236   3.208
  310   2HA   GLY  39          1HA       GLY  39 -16.437   1.173   3.629
  311    H    HIS  40           H        HIS  40 -15.230   3.309   2.890
  312    HA   HIS  40           HA       HIS  40 -15.550   3.321   0.109
  313   1HB   HIS  40          2HB       HIS  40 -15.798   5.262   1.751
  314   2HB   HIS  40          1HB       HIS  40 -14.051   5.437   1.649
  315    HD1  HIS  40           HD1      HIS  40 -14.695   7.877   0.701
  316    HD2  HIS  40           HD2      HIS  40 -15.622   4.643  -1.758
  317    HE1  HIS  40           HE1      HIS  40 -15.083   8.845  -1.588
  318    HE2  HIS  40           HE2      HIS  40 -15.784   6.896  -3.025
  319    H    TYR  41           H        TYR  41 -12.594   3.485   2.052
  320    HA   TYR  41           HA       TYR  41 -11.124   1.976   0.170
  321   1HB   TYR  41          2HB       TYR  41  -9.349   3.879  -0.141
  322   2HB   TYR  41          1HB       TYR  41 -10.737   3.786  -1.211
  323    HD1  TYR  41           HD1      TYR  41 -10.389   5.243   2.228
  324    HD2  TYR  41           HD2      TYR  41 -11.222   5.941  -1.883
  325    HE1  TYR  41           HE1      TYR  41 -10.911   7.582   2.743
  326    HE2  TYR  41           HE2      TYR  41 -11.742   8.291  -1.380
  327    HH   TYR  41           HH       TYR  41 -10.924   9.768   1.528
  328    HA   PRO  42           HA       PRO  42  -9.400   1.254   4.257
  329   1HB   PRO  42          2HB       PRO  42  -7.819  -0.702   2.685
  330   2HB   PRO  42          1HB       PRO  42  -8.785  -0.944   4.145
  331   1HG   PRO  42          2HG       PRO  42  -9.660  -1.807   1.781
  332   2HG   PRO  42          1HG       PRO  42 -10.777  -1.093   2.961
  333   1HD   PRO  42          2HD       PRO  42  -9.571   0.135   0.507
  334   2HD   PRO  42          1HD       PRO  42 -11.230   0.262   1.132
  335    H    GLY  43           H        GLY  43  -7.569   1.906   5.252
  336   1HA   GLY  43          2HA       GLY  43  -5.376   2.910   3.540
  337   2HA   GLY  43          1HA       GLY  43  -5.933   3.763   4.974
  338    H    ALA  44           H        ALA  44  -3.382   3.395   5.167
  339    HA   ALA  44           HA       ALA  44  -3.030   1.223   7.047
  340   1HB   ALA  44          1HB       ALA  44  -1.156   0.195   5.871
  341   2HB   ALA  44          2HB       ALA  44  -1.420   1.274   4.501
  342   3HB   ALA  44          3HB       ALA  44  -2.645   0.079   4.931
  343    H    VAL  45           H        VAL  45  -1.106   1.386   8.293
  344    HA   VAL  45           HA       VAL  45   0.663   3.660   7.895
  345    HB   VAL  45           HB       VAL  45   0.290   4.622  10.128
  346   1HG1  VAL  45          1HG1      VAL  45  -2.169   4.602   8.393
  347   2HG1  VAL  45          2HG1      VAL  45  -0.807   5.722   8.308
  348   3HG1  VAL  45          3HG1      VAL  45  -1.874   5.737   9.714
  349   1HG2  VAL  45          1HG2      VAL  45  -1.721   4.051  11.422
  350   2HG2  VAL  45          2HG2      VAL  45  -0.608   2.691  11.270
  351   3HG2  VAL  45          3HG2      VAL  45  -2.067   2.749  10.283
  352    HA   PRO  46           HA       PRO  46   3.360   1.030  10.365
  353   1HB   PRO  46          2HB       PRO  46   4.491   3.342  11.747
  354   2HB   PRO  46          1HB       PRO  46   5.257   2.255  10.589
  355   1HG   PRO  46          2HG       PRO  46   4.671   4.832  10.004
  356   2HG   PRO  46          1HG       PRO  46   4.670   3.544   8.783
  357   1HD   PRO  46          2HD       PRO  46   2.358   4.818  10.202
  358   2HD   PRO  46          1HD       PRO  46   2.508   4.332   8.500
  359    H    GLY  47           H        GLY  47   3.483   0.143  12.443
  360   1HA   GLY  47          2HA       GLY  47   2.780   1.322  14.846
  361   2HA   GLY  47          1HA       GLY  47   1.281   0.712  14.162
  362    H    ASN  48           H        ASN  48   0.746  -1.161  15.050
  363    HA   ASN  48           HA       ASN  48   2.804  -3.211  15.375
  364   1HB   ASN  48          2HB       ASN  48   0.751  -2.518  17.496
  365   2HB   ASN  48          1HB       ASN  48   1.879  -3.865  17.565
  366   1HD2  ASN  48          1HD2      ASN  48   4.107  -3.429  17.855
  367   2HD2  ASN  48          2HD2      ASN  48   4.628  -1.928  18.547
  368    H    GLY  49           H        GLY  49   2.018  -4.256  13.613
  369   1HA   GLY  49          2HA       GLY  49  -0.010  -6.162  14.021
  370   2HA   GLY  49          1HA       GLY  49  -0.662  -4.850  13.042
  371    H    THR  50           H        THR  50  -0.721  -7.042  11.657
  372    HA   THR  50           HA       THR  50   1.706  -6.909   9.979
  373    HB   THR  50           HB       THR  50  -0.081  -9.330  10.280
  374    HG1  THR  50           HG1      THR  50   1.896  -8.399  11.889
  375   1HG2  THR  50          1HG2      THR  50   1.720 -10.506   9.131
  376   2HG2  THR  50          2HG2      THR  50   2.650  -9.011   9.023
  377   3HG2  THR  50          3HG2      THR  50   1.131  -9.171   8.142
  378    H    VAL  51           H        VAL  51   1.302  -6.076   8.011
  379    HA   VAL  51           HA       VAL  51  -1.494  -6.091   7.103
  380    HB   VAL  51           HB       VAL  51   0.732  -4.181   6.372
  381   1HG1  VAL  51          1HG1      VAL  51  -0.730  -4.547   4.466
  382   2HG1  VAL  51          2HG1      VAL  51  -0.999  -2.941   5.146
  383   3HG1  VAL  51          3HG1      VAL  51  -2.146  -4.240   5.473
  384   1HG2  VAL  51          1HG2      VAL  51  -0.660  -2.517   7.524
  385   2HG2  VAL  51          2HG2      VAL  51  -0.148  -3.814   8.606
  386   3HG2  VAL  51          3HG2      VAL  51  -1.793  -3.794   7.970
  387    H    HIS  52           H        HIS  52  -1.805  -7.714   5.779
  388    HA   HIS  52           HA       HIS  52   0.139  -8.765   3.991
  389   1HB   HIS  52          2HB       HIS  52  -1.540 -10.290   4.547
  390   2HB   HIS  52          1HB       HIS  52  -2.815  -9.091   4.412
  391    HD1  HIS  52           HD1      HIS  52  -0.332 -10.609   1.916
  392    HD2  HIS  52           HD2      HIS  52  -4.366  -9.664   2.326
  393    HE1  HIS  52           HE1      HIS  52  -1.411 -11.290  -0.241
  394    HE2  HIS  52           HE2      HIS  52  -3.758 -10.414  -0.085
  395    H    GLY  53           H        GLY  53   0.813  -7.853   2.134
  396   1HA   GLY  53          2HA       GLY  53  -1.000  -5.909   0.857
  397   2HA   GLY  53          1HA       GLY  53   0.699  -5.549   1.116
  398    H    GLU  54           H        GLU  54  -1.042  -5.815  -1.303
  399    HA   GLU  54           HA       GLU  54   0.372  -7.939  -2.748
  400   1HB   GLU  54          2HB       GLU  54  -1.752  -6.115  -3.871
  401   2HB   GLU  54          1HB       GLU  54  -1.260  -7.695  -4.458
  402   1HG   GLU  54          2HG       GLU  54  -2.582  -7.339  -1.793
  403   2HG   GLU  54          1HG       GLU  54  -3.509  -7.488  -3.281
  404    H    VAL  55           H        VAL  55   2.354  -7.214  -3.435
  405    HA   VAL  55           HA       VAL  55   2.687  -4.418  -4.119
  406    HB   VAL  55           HB       VAL  55   4.663  -6.690  -4.450
  407   1HG1  VAL  55          1HG1      VAL  55   5.205  -4.814  -5.902
  408   2HG1  VAL  55          2HG1      VAL  55   6.348  -4.885  -4.558
  409   3HG1  VAL  55          3HG1      VAL  55   5.048  -3.695  -4.549
  410   1HG2  VAL  55          1HG2      VAL  55   4.034  -6.372  -2.126
  411   2HG2  VAL  55          2HG2      VAL  55   4.347  -4.640  -2.258
  412   3HG2  VAL  55          3HG2      VAL  55   5.679  -5.791  -2.396
  413    H    TYR  56           H        TYR  56   2.174  -3.585  -5.998
  414    HA   TYR  56           HA       TYR  56   2.002  -5.368  -8.342
  415   1HB   TYR  56          2HB       TYR  56   0.137  -3.296  -7.286
  416   2HB   TYR  56          1HB       TYR  56   0.290  -3.424  -9.032
  417    HD1  TYR  56           HD1      TYR  56  -0.597  -5.303 -10.216
  418    HD2  TYR  56           HD2      TYR  56  -0.821  -5.144  -5.975
  419    HE1  TYR  56           HE1      TYR  56  -2.239  -7.128 -10.243
  420    HE2  TYR  56           HE2      TYR  56  -2.467  -6.973  -5.989
  421    HH   TYR  56           HH       TYR  56  -3.103  -8.849  -8.774
  422    H    ARG  57           H        ARG  57   2.600  -4.581 -10.326
  423    HA   ARG  57           HA       ARG  57   3.952  -1.966 -10.357
  424   1HB   ARG  57          2HB       ARG  57   5.334  -3.951 -10.992
  425   2HB   ARG  57          1HB       ARG  57   4.222  -4.272 -12.310
  426   1HG   ARG  57          2HG       ARG  57   5.680  -1.661 -12.091
  427   2HG   ARG  57          1HG       ARG  57   6.421  -3.074 -12.835
  428   1HD   ARG  57          2HD       ARG  57   4.535  -3.192 -14.418
  429   2HD   ARG  57          1HD       ARG  57   3.854  -1.738 -13.690
  430    HE   ARG  57           HE       ARG  57   6.567  -1.530 -14.721
  431   1HH1  ARG  57          1HH1      ARG  57   3.146  -0.999 -15.298
  432   2HH1  ARG  57          2HH1      ARG  57   3.412   0.168 -16.559
  433   1HH2  ARG  57          1HH2      ARG  57   6.919  -0.015 -16.375
  434   2HH2  ARG  57          2HH2      ARG  57   5.566   0.723 -17.184
  435    H    ILE  58           H        ILE  58   2.559  -0.467 -10.998
  436    HA   ILE  58           HA       ILE  58   0.682  -1.145 -13.166
  437    HB   ILE  58           HB       ILE  58  -0.819   0.599 -12.330
  438   1HG1  ILE  58          2HG1      ILE  58   1.088   0.841  -9.993
  439   2HG1  ILE  58          1HG1      ILE  58   0.942   2.020 -11.288
  440   1HG2  ILE  58          1HG2      ILE  58  -0.029  -1.405 -10.218
  441   2HG2  ILE  58          2HG2      ILE  58  -1.148  -1.678 -11.554
  442   3HG2  ILE  58          3HG2      ILE  58  -1.561  -0.533 -10.277
  443   1HD1  ILE  58          1HD1      ILE  58  -1.234   1.256  -9.362
  444   2HD1  ILE  58          2HD1      ILE  58  -1.365   2.457 -10.648
  445   3HD1  ILE  58          3HD1      ILE  58  -0.257   2.722  -9.301
  446    H    ASP  59           H        ASP  59  -0.002   0.840 -14.408
  447    HA   ASP  59           HA       ASP  59   2.117   2.006 -15.738
  448   1HB   ASP  59          2HB       ASP  59  -0.060   1.917 -16.727
  449   2HB   ASP  59          1HB       ASP  59  -0.742   2.919 -15.451
  450    H    ASN  60           H        ASN  60   3.275   3.829 -15.573
  451    HA   ASN  60           HA       ASN  60   3.644   5.050 -13.066
  452   1HB   ASN  60          2HB       ASN  60   4.633   5.627 -15.840
  453   2HB   ASN  60          1HB       ASN  60   4.955   6.767 -14.533
  454   1HD2  ASN  60          1HD2      ASN  60   6.288   6.183 -12.856
  455   2HD2  ASN  60          2HD2      ASN  60   7.286   4.762 -12.900
  456    H    ALA  61           H        ALA  61   1.984   6.187 -16.016
  457    HA   ALA  61           HA       ALA  61   1.356   8.769 -15.042
  458   1HB   ALA  61          1HB       ALA  61  -0.254   8.862 -16.887
  459   2HB   ALA  61          2HB       ALA  61  -0.034   7.132 -17.159
  460   3HB   ALA  61          3HB       ALA  61   1.310   8.244 -17.419
  461    H    THR  62           H        THR  62  -0.265   5.663 -14.902
  462    HA   THR  62           HA       THR  62  -2.678   6.394 -13.740
  463    HB   THR  62           HB       THR  62  -1.035   3.916 -13.181
  464    HG1  THR  62           HG1      THR  62  -1.662   4.506 -15.446
  465   1HG2  THR  62          1HG2      THR  62  -3.182   2.869 -12.629
  466   2HG2  THR  62          2HG2      THR  62  -4.006   4.407 -12.887
  467   3HG2  THR  62          3HG2      THR  62  -2.860   4.235 -11.559
  468    H    LEU  63           H        LEU  63   0.518   6.232 -12.338
  469    HA   LEU  63           HA       LEU  63  -0.263   6.410  -9.611
  470   1HB   LEU  63          2HB       LEU  63   2.015   5.769 -10.128
  471   2HB   LEU  63          1HB       LEU  63   2.282   7.277 -10.987
  472    HG   LEU  63           HG       LEU  63   1.877   8.473  -8.792
  473   1HD1  LEU  63          1HD1      LEU  63   2.205   5.688  -7.686
  474   2HD1  LEU  63          2HD1      LEU  63   0.734   6.664  -7.627
  475   3HD1  LEU  63          3HD1      LEU  63   2.172   7.181  -6.747
  476   1HD2  LEU  63          1HD2      LEU  63   4.102   8.196  -9.720
  477   2HD2  LEU  63          2HD2      LEU  63   4.228   6.600  -8.978
  478   3HD2  LEU  63          3HD2      LEU  63   4.135   8.039  -7.963
  479    H    ALA  64           H        ALA  64   0.725   8.783 -12.055
  480    HA   ALA  64           HA       ALA  64   0.328  11.098 -10.537
  481   1HB   ALA  64          1HB       ALA  64  -0.164  10.744 -13.495
  482   2HB   ALA  64          2HB       ALA  64   1.393  11.095 -12.748
  483   3HB   ALA  64          3HB       ALA  64   0.087  12.277 -12.659
  484    H    GLU  65           H        GLU  65  -1.943   9.001 -12.171
  485    HA   GLU  65           HA       GLU  65  -4.207  10.747 -11.868
  486   1HB   GLU  65          2HB       GLU  65  -4.243   9.090 -13.621
  487   2HB   GLU  65          1HB       GLU  65  -4.001   7.790 -12.464
  488   1HG   GLU  65          2HG       GLU  65  -6.184   8.175 -11.515
  489   2HG   GLU  65          1HG       GLU  65  -6.432   9.563 -12.567
  490    H    LEU  66           H        LEU  66  -3.221   7.733 -10.248
  491    HA   LEU  66           HA       LEU  66  -5.266   7.730  -8.322
  492   1HB   LEU  66          2HB       LEU  66  -4.027   5.733  -8.875
  493   2HB   LEU  66          1HB       LEU  66  -2.529   6.456  -8.325
  494    HG   LEU  66           HG       LEU  66  -4.691   6.220  -6.304
  495   1HD1  LEU  66          1HD1      LEU  66  -3.142   3.832  -7.308
  496   2HD1  LEU  66          2HD1      LEU  66  -4.878   4.085  -7.484
  497   3HD1  LEU  66          3HD1      LEU  66  -4.176   3.871  -5.880
  498   1HD2  LEU  66          1HD2      LEU  66  -1.721   5.664  -6.293
  499   2HD2  LEU  66          2HD2      LEU  66  -2.780   5.630  -4.882
  500   3HD2  LEU  66          3HD2      LEU  66  -2.500   7.146  -5.741
  501    H    ASP  67           H        ASP  67  -2.035   9.124  -8.303
  502    HA   ASP  67           HA       ASP  67  -1.900   9.863  -5.600
  503   1HB   ASP  67          2HB       ASP  67   0.005   9.971  -7.214
  504   2HB   ASP  67          1HB       ASP  67  -0.747  11.378  -7.948
  505    H    ALA  68           H        ALA  68  -2.843  11.819  -8.409
  506    HA   ALA  68           HA       ALA  68  -3.662  14.107  -7.055
  507   1HB   ALA  68          1HB       ALA  68  -4.777  12.963  -9.608
  508   2HB   ALA  68          2HB       ALA  68  -3.335  13.971  -9.475
  509   3HB   ALA  68          3HB       ALA  68  -4.919  14.637  -9.069
  510    H    LEU  69           H        LEU  69  -5.326  11.089  -7.631
  511    HA   LEU  69           HA       LEU  69  -7.892  11.955  -6.779
  512   1HB   LEU  69          2HB       LEU  69  -6.602   9.300  -7.242
  513   2HB   LEU  69          1HB       LEU  69  -8.152   9.379  -6.429
  514    HG   LEU  69           HG       LEU  69  -7.588  10.488  -9.178
  515   1HD1  LEU  69          1HD1      LEU  69  -8.927   8.608  -9.984
  516   2HD1  LEU  69          2HD1      LEU  69  -9.053   7.988  -8.339
  517   3HD1  LEU  69          3HD1      LEU  69  -7.484   8.047  -9.141
  518   1HD2  LEU  69          1HD2      LEU  69  -9.334  11.707  -8.024
  519   2HD2  LEU  69          2HD2      LEU  69 -10.137  10.198  -7.596
  520   3HD2  LEU  69          3HD2      LEU  69 -10.041  10.698  -9.287
  521    H    ARG  70           H        ARG  70  -5.386   9.992  -5.099
  522    HA   ARG  70           HA       ARG  70  -7.087   9.976  -2.754
  523   1HB   ARG  70          2HB       ARG  70  -5.969   7.924  -3.483
  524   2HB   ARG  70          1HB       ARG  70  -4.402   8.669  -3.196
  525   1HG   ARG  70          2HG       ARG  70  -4.836   8.785  -0.840
  526   2HG   ARG  70          1HG       ARG  70  -6.487   8.214  -1.083
  527   1HD   ARG  70          2HD       ARG  70  -3.983   6.654  -1.702
  528   2HD   ARG  70          1HD       ARG  70  -4.989   6.440  -0.270
  529    HE   ARG  70           HE       ARG  70  -6.591   6.165  -2.570
  530   1HH1  ARG  70          1HH1      ARG  70  -4.055   4.483  -0.828
  531   2HH1  ARG  70          2HH1      ARG  70  -4.545   2.917  -1.375
  532   1HH2  ARG  70          1HH2      ARG  70  -7.243   4.115  -3.285
  533   2HH2  ARG  70          2HH2      ARG  70  -6.369   2.703  -2.785
  534    H    THR  71           H        THR  71  -4.775  12.127  -3.829
  535    HA   THR  71           HA       THR  71  -4.098  12.851  -1.059
  536    HB   THR  71           HB       THR  71  -2.371  14.341  -1.991
  537    HG1  THR  71           HG1      THR  71  -2.709  13.104  -4.510
  538   1HG2  THR  71          1HG2      THR  71  -0.834  12.586  -2.753
  539   2HG2  THR  71          2HG2      THR  71  -2.201  11.490  -2.960
  540   3HG2  THR  71          3HG2      THR  71  -1.770  12.068  -1.350
  541    H    ARG  72           H        ARG  72  -4.632  14.660  -4.069
  542    HA   ARG  72           HA       ARG  72  -5.539  17.017  -2.949
  543   1HB   ARG  72          2HB       ARG  72  -4.911  16.754  -5.298
  544   2HB   ARG  72          1HB       ARG  72  -6.309  15.743  -5.582
  545   1HG   ARG  72          2HG       ARG  72  -6.689  18.536  -4.605
  546   2HG   ARG  72          1HG       ARG  72  -6.310  18.241  -6.301
  547   1HD   ARG  72          2HD       ARG  72  -8.239  16.590  -6.288
  548   2HD   ARG  72          1HD       ARG  72  -8.684  17.278  -4.729
  549    HE   ARG  72           HE       ARG  72  -8.363  19.195  -6.886
  550   1HH1  ARG  72          1HH1      ARG  72 -10.559  17.205  -5.027
  551   2HH1  ARG  72          2HH1      ARG  72 -11.982  18.039  -5.566
  552   1HH2  ARG  72          1HH2      ARG  72 -10.230  20.301  -7.593
  553   2HH2  ARG  72          2HH2      ARG  72 -11.795  19.802  -7.024
  554    H    GLY  73           H        GLY  73  -7.277  14.066  -3.691
  555   1HA   GLY  73          2HA       GLY  73  -9.650  15.243  -2.386
  556   2HA   GLY  73          1HA       GLY  73  -9.765  14.127  -3.738
  557    H    GLY  74           H        GLY  74  -7.341  13.603  -1.304
  558   1HA   GLY  74          2HA       GLY  74  -9.010  11.448  -0.171
  559   2HA   GLY  74          1HA       GLY  74  -7.384  11.110  -0.742
  560    H    GLU  75           H        GLU  75  -6.356  13.680   0.253
  561    HA   GLU  75           HA       GLU  75  -5.599  14.740   2.112
  562   1HB   GLU  75          2HB       GLU  75  -8.026  14.463   2.816
  563   2HB   GLU  75          1HB       GLU  75  -7.494  13.060   3.713
  564   1HG   GLU  75          2HG       GLU  75  -7.677  14.990   5.158
  565   2HG   GLU  75          1HG       GLU  75  -5.997  14.466   5.035
  566    H    TYR  76           H        TYR  76  -4.759  11.932   1.159
  567    HA   TYR  76           HA       TYR  76  -3.271  11.186   3.600
  568   1HB   TYR  76          2HB       TYR  76  -3.810   9.339   1.272
  569   2HB   TYR  76          1HB       TYR  76  -3.244   8.914   2.884
  570    HD1  TYR  76           HD1      TYR  76  -5.100  10.254   4.660
  571    HD2  TYR  76           HD2      TYR  76  -5.852   8.330   0.947
  572    HE1  TYR  76           HE1      TYR  76  -7.429   9.876   5.338
  573    HE2  TYR  76           HE2      TYR  76  -8.177   7.934   1.610
  574    HH   TYR  76           HH       TYR  76  -9.582   9.441   4.358
  575    H    ALA  77           H        ALA  77  -1.062  10.226   3.138
  576    HA   ALA  77           HA       ALA  77   0.081  11.509   0.737
  577   1HB   ALA  77          1HB       ALA  77   2.069  12.098   1.998
  578   2HB   ALA  77          2HB       ALA  77   1.385  11.374   3.454
  579   3HB   ALA  77          3HB       ALA  77   0.636  12.807   2.745
  580    H    ARG  78           H        ARG  78   1.869  10.483  -0.205
  581    HA   ARG  78           HA       ARG  78   1.861   7.616   0.222
  582   1HB   ARG  78          2HB       ARG  78   3.460   7.757  -1.847
  583   2HB   ARG  78          1HB       ARG  78   1.729   7.981  -2.040
  584   1HG   ARG  78          2HG       ARG  78   1.999  10.373  -2.125
  585   2HG   ARG  78          1HG       ARG  78   3.725  10.220  -1.789
  586   1HD   ARG  78          2HD       ARG  78   4.202   9.427  -3.891
  587   2HD   ARG  78          1HD       ARG  78   2.581   8.776  -4.129
  588    HE   ARG  78           HE       ARG  78   1.809  11.049  -4.505
  589   1HH1  ARG  78          1HH1      ARG  78   5.285  10.547  -4.626
  590   2HH1  ARG  78          2HH1      ARG  78   5.564  11.913  -5.654
  591   1HH2  ARG  78          1HH2      ARG  78   2.180  12.810  -5.877
  592   2HH2  ARG  78          2HH2      ARG  78   3.810  13.204  -6.367
  593    H    GLN  79           H        GLN  79   3.311   6.542   1.257
  594    HA   GLN  79           HA       GLN  79   5.883   7.778   1.966
  595   1HB   GLN  79          2HB       GLN  79   4.261   6.751   3.710
  596   2HB   GLN  79          1HB       GLN  79   4.734   5.203   3.043
  597   1HG   GLN  79          2HG       GLN  79   7.064   5.665   3.611
  598   2HG   GLN  79          1HG       GLN  79   6.582   7.212   4.306
  599   1HE2  GLN  79          1HE2      GLN  79   4.719   4.258   4.591
  600   2HE2  GLN  79          2HE2      GLN  79   4.957   4.049   6.287
  601    H    LEU  80           H        LEU  80   7.648   7.077   0.832
  602    HA   LEU  80           HA       LEU  80   7.224   4.879  -1.012
  603   1HB   LEU  80          2HB       LEU  80   8.265   6.957  -1.812
  604   2HB   LEU  80          1HB       LEU  80   9.605   6.700  -0.706
  605    HG   LEU  80           HG       LEU  80  10.219   4.652  -1.888
  606   1HD1  LEU  80          1HD1      LEU  80   7.974   4.005  -2.623
  607   2HD1  LEU  80          2HD1      LEU  80   9.116   4.032  -3.968
  608   3HD1  LEU  80          3HD1      LEU  80   7.960   5.350  -3.764
  609   1HD2  LEU  80          1HD2      LEU  80   9.840   7.007  -3.731
  610   2HD2  LEU  80          2HD2      LEU  80  10.978   5.681  -3.965
  611   3HD2  LEU  80          3HD2      LEU  80  11.178   6.785  -2.604
  612    H    ILE  81           H        ILE  81   7.591   2.908  -0.379
  613    HA   ILE  81           HA       ILE  81   9.791   2.411   1.510
  614    HB   ILE  81           HB       ILE  81   8.594   0.288   2.066
  615   1HG1  ILE  81          2HG1      ILE  81   6.309   1.554   0.550
  616   2HG1  ILE  81          1HG1      ILE  81   7.249   0.195  -0.040
  617   1HG2  ILE  81          1HG2      ILE  81   6.912   1.380   3.477
  618   2HG2  ILE  81          2HG2      ILE  81   7.087   2.858   2.528
  619   3HG2  ILE  81          3HG2      ILE  81   8.443   2.257   3.484
  620   1HD1  ILE  81          1HD1      ILE  81   5.159  -0.565   0.887
  621   2HD1  ILE  81          2HD1      ILE  81   5.519   0.229   2.420
  622   3HD1  ILE  81          3HD1      ILE  81   6.502  -1.134   1.880
  623    H    GLN  82           H        GLN  82  11.360   1.055   0.957
  624    HA   GLN  82           HA       GLN  82  11.501   0.266  -1.835
  625   1HB   GLN  82          2HB       GLN  82  13.339   1.342  -0.185
  626   2HB   GLN  82          1HB       GLN  82  13.691  -0.355   0.092
  627   1HG   GLN  82          2HG       GLN  82  13.814   1.131  -2.518
  628   2HG   GLN  82          1HG       GLN  82  15.162   0.482  -1.589
  629   1HE2  GLN  82          1HE2      GLN  82  12.623  -0.187  -3.793
  630   2HE2  GLN  82          2HE2      GLN  82  13.052  -1.828  -4.131
  631    H    THR  83           H        THR  83  10.325  -1.620  -2.182
  632    HA   THR  83           HA       THR  83  10.646  -3.782  -0.233
  633    HB   THR  83           HB       THR  83   8.769  -4.823  -1.132
  634    HG1  THR  83           HG1      THR  83   8.809  -3.263  -3.505
  635   1HG2  THR  83          1HG2      THR  83   8.129  -2.678  -0.144
  636   2HG2  THR  83          2HG2      THR  83   7.051  -3.113  -1.473
  637   3HG2  THR  83          3HG2      THR  83   8.304  -1.896  -1.717
  638    HA   PRO  84           HA       PRO  84  13.536  -6.145  -2.626
  639   1HB   PRO  84          2HB       PRO  84  11.809  -8.529  -2.350
  640   2HB   PRO  84          1HB       PRO  84  13.465  -8.270  -1.795
  641   1HG   PRO  84          2HG       PRO  84  11.426  -8.342  -0.072
  642   2HG   PRO  84          1HG       PRO  84  12.791  -7.232   0.157
  643   1HD   PRO  84          2HD       PRO  84  10.045  -6.670  -0.906
  644   2HD   PRO  84          1HD       PRO  84  11.043  -5.705   0.203
  645    H    TYR  85           H        TYR  85  10.389  -5.633  -3.667
  646    HA   TYR  85           HA       TYR  85  10.957  -6.849  -6.291
  647   1HB   TYR  85          2HB       TYR  85   8.269  -6.210  -5.050
  648   2HB   TYR  85          1HB       TYR  85   8.520  -6.937  -6.636
  649    HD1  TYR  85           HD1      TYR  85   8.378  -7.515  -3.060
  650    HD2  TYR  85           HD2      TYR  85   9.450  -9.233  -6.799
  651    HE1  TYR  85           HE1      TYR  85   8.415  -9.741  -2.017
  652    HE2  TYR  85           HE2      TYR  85   9.482 -11.463  -5.769
  653    HH   TYR  85           HH       TYR  85   9.810 -12.431  -3.530
  654    H    GLY  86           H        GLY  86  11.173  -4.057  -4.731
  655   1HA   GLY  86          2HA       GLY  86  11.783  -2.191  -6.303
  656   2HA   GLY  86          1HA       GLY  86  10.192  -2.452  -7.005
  657    H    SER  87           H        SER  87  11.346  -0.069  -5.731
  658    HA   SER  87           HA       SER  87  10.154   0.324  -3.204
  659   1HB   SER  87          2HB       SER  87  10.766   2.442  -5.258
  660   2HB   SER  87          1HB       SER  87  10.709   2.627  -3.510
  661    HG   SER  87           HG       SER  87  12.769   1.874  -5.075
  662    H    ALA  88           H        ALA  88   8.094   0.596  -2.687
  663    HA   ALA  88           HA       ALA  88   6.200   1.255  -4.848
  664   1HB   ALA  88          1HB       ALA  88   5.993  -1.068  -4.115
  665   2HB   ALA  88          2HB       ALA  88   4.554  -0.138  -3.695
  666   3HB   ALA  88          3HB       ALA  88   5.746  -0.527  -2.454
  667    H    TRP  89           H        TRP  89   4.524   2.662  -4.391
  668    HA   TRP  89           HA       TRP  89   4.989   4.468  -2.182
  669   1HB   TRP  89          2HB       TRP  89   2.812   4.478  -4.288
  670   2HB   TRP  89          1HB       TRP  89   3.168   5.789  -3.175
  671    HD1  TRP  89           HD1      TRP  89   4.183   4.360  -6.469
  672    HE1  TRP  89           HE1      TRP  89   6.019   5.811  -7.499
  673    HE3  TRP  89           HE3      TRP  89   5.299   7.268  -2.416
  674    HZ2  TRP  89           HZ2      TRP  89   7.740   7.913  -6.715
  675    HZ3  TRP  89           HZ3      TRP  89   7.058   8.974  -2.640
  676    HH2  TRP  89           HH2      TRP  89   8.252   9.288  -4.745
  677    H    MET  90           H        MET  90   4.156   4.181  -0.229
  678    HA   MET  90           HA       MET  90   1.663   2.642   0.087
  679   1HB   MET  90          2HB       MET  90   3.702   1.921   1.351
  680   2HB   MET  90          1HB       MET  90   3.685   3.477   2.179
  681   1HG   MET  90          2HG       MET  90   1.450   2.936   3.071
  682   2HG   MET  90          1HG       MET  90   1.562   1.347   2.315
  683   1HE   MET  90          1HE       MET  90   1.091   0.177   4.608
  684   2HE   MET  90          2HE       MET  90   0.968   1.739   5.415
  685   3HE   MET  90          3HE       MET  90   2.003   0.479   6.087
  686    H    TYR  91           H        TYR  91  -0.140   3.901   0.245
  687    HA   TYR  91           HA       TYR  91   0.155   6.676   1.019
  688   1HB   TYR  91          2HB       TYR  91  -2.111   5.069  -0.104
  689   2HB   TYR  91          1HB       TYR  91  -2.417   6.644   0.626
  690    HD1  TYR  91           HD1      TYR  91  -2.202   8.562  -0.653
  691    HD2  TYR  91           HD2      TYR  91  -0.261   5.003  -1.945
  692    HE1  TYR  91           HE1      TYR  91  -1.549   9.683  -2.741
  693    HE2  TYR  91           HE2      TYR  91   0.395   6.114  -4.035
  694    HH   TYR  91           HH       TYR  91  -0.018   9.532  -4.520
  695    H    VAL  92           H        VAL  92   0.038   7.363   2.974
  696    HA   VAL  92           HA       VAL  92  -1.142   5.632   5.039
  697    HB   VAL  92           HB       VAL  92   1.237   7.465   5.017
  698   1HG1  VAL  92          1HG1      VAL  92   1.422   7.267   7.451
  699   2HG1  VAL  92          2HG1      VAL  92  -0.157   6.483   7.507
  700   3HG1  VAL  92          3HG1      VAL  92  -0.025   8.163   6.989
  701   1HG2  VAL  92          1HG2      VAL  92   2.329   5.534   5.967
  702   2HG2  VAL  92          2HG2      VAL  92   1.476   5.094   4.486
  703   3HG2  VAL  92          3HG2      VAL  92   0.784   4.685   6.062
  704    H    TYR  93           H        TYR  93  -2.550   6.369   6.459
  705    HA   TYR  93           HA       TYR  93  -4.118   8.598   6.289
  706   1HB   TYR  93          2HB       TYR  93  -4.943   7.342   7.979
  707   2HB   TYR  93          1HB       TYR  93  -3.372   6.657   8.344
  708    HD1  TYR  93           HD1      TYR  93  -2.380   7.134  10.364
  709    HD2  TYR  93           HD2      TYR  93  -5.271   9.857   8.835
  710    HE1  TYR  93           HE1      TYR  93  -2.201   8.468  12.419
  711    HE2  TYR  93           HE2      TYR  93  -5.098  11.197  10.890
  712    HH   TYR  93           HH       TYR  93  -2.592  10.864  13.084
  713    H    GLN  94           H        GLN  94  -3.653  10.713   6.324
  714    HA   GLN  94           HA       GLN  94  -1.050  11.478   7.418
  715   1HB   GLN  94          2HB       GLN  94  -1.866  11.846   4.943
  716   2HB   GLN  94          1HB       GLN  94  -2.634  13.269   5.636
  717   1HG   GLN  94          2HG       GLN  94  -0.417  13.724   4.675
  718   2HG   GLN  94          1HG       GLN  94  -0.532  14.110   6.386
  719   1HE2  GLN  94          1HE2      GLN  94  -0.258  10.813   5.285
  720   2HE2  GLN  94          2HE2      GLN  94   1.365  10.561   5.820
  721    H    ARG  95           H        ARG  95  -4.465  12.057   7.764
  722    HA   ARG  95           HA       ARG  95  -4.004  13.435  10.201
  723   1HB   ARG  95          2HB       ARG  95  -5.353  15.507   9.472
  724   2HB   ARG  95          1HB       ARG  95  -3.643  15.408   9.087
  725   1HG   ARG  95          2HG       ARG  95  -4.171  14.763   6.810
  726   2HG   ARG  95          1HG       ARG  95  -5.897  14.799   7.179
  727   1HD   ARG  95          2HD       ARG  95  -5.202  16.843   6.047
  728   2HD   ARG  95          1HD       ARG  95  -5.741  17.184   7.690
  729    HE   ARG  95           HE       ARG  95  -3.373  17.367   8.300
  730   1HH1  ARG  95          1HH1      ARG  95  -4.203  17.557   4.896
  731   2HH1  ARG  95          2HH1      ARG  95  -2.796  18.496   4.483
  732   1HH2  ARG  95          1HH2      ARG  95  -1.542  18.617   7.761
  733   2HH2  ARG  95          2HH2      ARG  95  -1.285  19.094   6.107
  734    HA   PRO  96           HA       PRO  96  -8.620  12.788   9.887
  735   1HB   PRO  96          2HB       PRO  96  -9.838  11.953   7.653
  736   2HB   PRO  96          1HB       PRO  96  -9.269  13.613   7.845
  737   1HG   PRO  96          2HG       PRO  96  -8.199  11.455   6.157
  738   2HG   PRO  96          1HG       PRO  96  -7.989  13.206   6.008
  739   1HD   PRO  96          2HD       PRO  96  -6.201  11.259   7.195
  740   2HD   PRO  96          1HD       PRO  96  -5.926  12.990   6.919
  741    H    VAL  97           H        VAL  97  -8.457  11.065  11.365
  742    HA   VAL  97           HA       VAL  97  -9.725   8.666  10.319
  743    HB   VAL  97           HB       VAL  97  -8.385   7.190  11.890
  744   1HG1  VAL  97          1HG1      VAL  97  -6.576   6.828  10.280
  745   2HG1  VAL  97          2HG1      VAL  97  -6.957   8.368   9.512
  746   3HG1  VAL  97          3HG1      VAL  97  -8.132   7.054   9.481
  747   1HG2  VAL  97          1HG2      VAL  97  -6.100   7.887  12.429
  748   2HG2  VAL  97          2HG2      VAL  97  -7.299   8.924  13.207
  749   3HG2  VAL  97          3HG2      VAL  97  -6.439   9.491  11.776
  750    H    ASP  98           H        ASP  98 -11.592   9.433  11.257
  751    HA   ASP  98           HA       ASP  98 -11.895  10.169  13.954
  752   1HB   ASP  98          2HB       ASP  98 -14.278   9.940  13.576
  753   2HB   ASP  98          1HB       ASP  98 -13.522  10.720  12.195
  754    H    GLY  99           H        GLY  99 -10.464   7.600  13.569
  755   1HA   GLY  99          2HA       GLY  99 -10.406   5.951  15.348
  756   2HA   GLY  99          1HA       GLY  99 -12.164   5.927  15.301
  757    H    LEU 100           H        LEU 100 -13.087   5.313  13.138
  758    HA   LEU 100           HA       LEU 100 -13.425   3.764  11.505
  759   1HB   LEU 100          2HB       LEU 100 -10.412   3.645  11.332
  760   2HB   LEU 100          1HB       LEU 100 -11.546   3.087  10.118
  761    HG   LEU 100           HG       LEU 100 -11.102   5.955  10.950
  762   1HD1  LEU 100          1HD1      LEU 100 -10.427   4.489   8.406
  763   2HD1  LEU 100          2HD1      LEU 100  -9.280   5.069   9.611
  764   3HD1  LEU 100          3HD1      LEU 100 -10.236   6.220   8.676
  765   1HD2  LEU 100          1HD2      LEU 100 -12.614   6.493   9.084
  766   2HD2  LEU 100          2HD2      LEU 100 -13.421   5.602  10.375
  767   3HD2  LEU 100          3HD2      LEU 100 -12.956   4.774   8.891
  768    H    LYS 101           H        LYS 101 -12.323   1.423  10.772
  769    HA   LYS 101           HA       LYS 101 -12.074  -0.086  13.283
  770   1HB   LYS 101          2HB       LYS 101 -13.990  -0.792  11.935
  771   2HB   LYS 101          1HB       LYS 101 -12.939  -1.039  10.546
  772   1HG   LYS 101          2HG       LYS 101 -11.799  -2.846  11.678
  773   2HG   LYS 101          1HG       LYS 101 -12.744  -2.563  13.141
  774   1HD   LYS 101          2HD       LYS 101 -13.932  -3.318  10.474
  775   2HD   LYS 101          1HD       LYS 101 -13.534  -4.478  11.744
  776   1HE   LYS 101          2HE       LYS 101 -15.469  -2.177  11.995
  777   2HE   LYS 101          1HE       LYS 101 -15.907  -3.871  11.780
  778   1HZ   LYS 101          1HZ       LYS 101 -14.663  -4.306  13.902
  779   2HZ   LYS 101          2HZ       LYS 101 -16.086  -3.403  14.070
  780   3HZ   LYS 101          3HZ       LYS 101 -14.580  -2.626  14.127
  781    H    LEU 102           H        LEU 102 -10.068  -0.581  13.768
  782    HA   LEU 102           HA       LEU 102  -8.028  -0.581  11.706
  783   1HB   LEU 102          2HB       LEU 102  -7.647   0.624  13.807
  784   2HB   LEU 102          1HB       LEU 102  -7.821  -0.867  14.705
  785    HG   LEU 102           HG       LEU 102  -5.707  -0.821  12.622
  786   1HD1  LEU 102          1HD1      LEU 102  -5.441   0.645  15.245
  787   2HD1  LEU 102          2HD1      LEU 102  -5.475   1.393  13.648
  788   3HD1  LEU 102          3HD1      LEU 102  -4.141   0.329  14.097
  789   1HD2  LEU 102          1HD2      LEU 102  -4.504  -2.100  14.321
  790   2HD2  LEU 102          2HD2      LEU 102  -6.095  -2.796  14.014
  791   3HD2  LEU 102          3HD2      LEU 102  -5.820  -1.830  15.463
  792    H    ILE 103           H        ILE 103  -7.268  -2.332  10.776
  793    HA   ILE 103           HA       ILE 103  -7.852  -4.953  11.970
  794    HB   ILE 103           HB       ILE 103  -7.009  -4.452   9.116
  795   1HG1  ILE 103          2HG1      ILE 103  -9.844  -4.762  10.126
  796   2HG1  ILE 103          1HG1      ILE 103  -9.138  -3.249   9.571
  797   1HG2  ILE 103          1HG2      ILE 103  -8.369  -6.782  10.466
  798   2HG2  ILE 103          2HG2      ILE 103  -6.692  -6.715   9.925
  799   3HG2  ILE 103          3HG2      ILE 103  -8.000  -6.671   8.744
  800   1HD1  ILE 103          1HD1      ILE 103  -9.552  -5.724   7.904
  801   2HD1  ILE 103          2HD1      ILE 103  -8.834  -4.214   7.344
  802   3HD1  ILE 103          3HD1      ILE 103 -10.524  -4.254   7.851
  803    H    GLU 104           H        GLU 104  -6.039  -5.018  13.348
  804    HA   GLU 104           HA       GLU 104  -3.392  -4.626  12.417
  805   1HB   GLU 104          2HB       GLU 104  -2.833  -6.097  14.487
  806   2HB   GLU 104          1HB       GLU 104  -3.507  -4.495  14.718
  807   1HG   GLU 104          2HG       GLU 104  -4.565  -5.968  16.245
  808   2HG   GLU 104          1HG       GLU 104  -5.742  -5.549  15.006
  809    H    SER 105           H        SER 105  -5.641  -7.065  11.916
  810    HA   SER 105           HA       SER 105  -3.880  -9.237  11.359
  811   1HB   SER 105          2HB       SER 105  -6.708  -8.720  10.405
  812   2HB   SER 105          1HB       SER 105  -5.851 -10.257  10.286
  813    HG   SER 105           HG       SER 105  -6.152  -8.971  12.795
  814    H    GLY 106           H        GLY 106  -4.884  -6.421   9.656
  815   1HA   GLY 106          2HA       GLY 106  -4.227  -5.517   7.668
  816   2HA   GLY 106          1HA       GLY 106  -2.888  -6.652   7.714
  817    H    ASP 107           H        ASP 107  -6.325  -7.490   7.529
  818    HA   ASP 107           HA       ASP 107  -6.032  -8.045   4.682
  819   1HB   ASP 107          2HB       ASP 107  -5.516 -10.161   5.962
  820   2HB   ASP 107          1HB       ASP 107  -7.170 -10.123   6.554
  821    H    TRP 108           H        TRP 108  -8.055  -8.195   3.584
  822    HA   TRP 108           HA       TRP 108  -9.907  -6.317   4.781
  823   1HB   TRP 108          2HB       TRP 108 -10.814  -6.920   2.196
  824   2HB   TRP 108          1HB       TRP 108  -9.896  -5.508   2.682
  825    HD1  TRP 108           HD1      TRP 108  -9.725  -8.266   0.286
  826    HE1  TRP 108           HE1      TRP 108  -7.319  -8.512  -0.632
  827    HE3  TRP 108           HE3      TRP 108  -7.321  -5.390   3.689
  828    HZ2  TRP 108           HZ2      TRP 108  -4.713  -7.568   0.051
  829    HZ3  TRP 108           HZ3      TRP 108  -4.922  -5.103   3.547
  830    HH2  TRP 108           HH2      TRP 108  -3.615  -6.166   1.756
  831    H    LEU 109           H        LEU 109  -9.701  -9.659   4.048
  832    HA   LEU 109           HA       LEU 109 -12.636  -9.917   4.080
  833   1HB   LEU 109          2HB       LEU 109 -10.640 -11.601   2.574
  834   2HB   LEU 109          1HB       LEU 109 -12.386 -11.781   2.530
  835    HG   LEU 109           HG       LEU 109 -10.995  -9.258   1.646
  836   1HD1  LEU 109          1HD1      LEU 109 -11.242 -10.031  -0.638
  837   2HD1  LEU 109          2HD1      LEU 109 -11.863 -11.580  -0.064
  838   3HD1  LEU 109          3HD1      LEU 109 -10.196 -11.114   0.281
  839   1HD2  LEU 109          1HD2      LEU 109 -13.350  -9.029   2.214
  840   2HD2  LEU 109          2HD2      LEU 109 -13.752 -10.358   1.128
  841   3HD2  LEU 109          3HD2      LEU 109 -13.102  -8.854   0.477
  842    H    ASP 110           H        ASP 110  -9.580 -11.150   5.215
  843    HA   ASP 110           HA       ASP 110 -10.755 -13.447   6.509
  844   1HB   ASP 110          2HB       ASP 110  -8.380 -13.390   5.657
  845   2HB   ASP 110          1HB       ASP 110  -8.002 -12.283   6.972
  846    H    ARG 111           H        ARG 111 -12.381 -12.150   7.611
  847    HA   ARG 111           HA       ARG 111 -11.363 -11.132  10.187
  848   1HB   ARG 111          2HB       ARG 111 -14.138 -10.537   9.251
  849   2HB   ARG 111          1HB       ARG 111 -13.099  -9.597  10.307
  850   1HG   ARG 111          2HG       ARG 111 -11.809  -8.825   8.425
  851   2HG   ARG 111          1HG       ARG 111 -12.726  -9.866   7.332
  852   1HD   ARG 111          2HD       ARG 111 -14.790  -8.611   8.243
  853   2HD   ARG 111          1HD       ARG 111 -13.624  -7.418   8.806
  854    HE   ARG 111           HE       ARG 111 -12.940  -7.643   6.234
  855   1HH1  ARG 111          1HH1      ARG 111 -16.072  -7.242   7.770
  856   2HH1  ARG 111          2HH1      ARG 111 -16.773  -6.441   6.390
  857   1HH2  ARG 111          1HH2      ARG 111 -13.871  -6.587   4.434
  858   2HH2  ARG 111          2HH2      ARG 111 -15.527  -6.059   4.508
  859    H    ASP 112           H        ASP 112 -14.164 -12.623   8.652
  860    HA   ASP 112           HA       ASP 112 -14.356 -14.626  10.715
  861   1HB   ASP 112          2HB       ASP 112 -15.767 -13.068  11.762
  862   2HB   ASP 112          1HB       ASP 112 -16.443 -12.517  10.234
  863    H    LYS 113           H        LYS 113 -14.081 -16.218   9.374
  864    HA   LYS 113           HA       LYS 113 -16.142 -16.666   7.317
  865   1HB   LYS 113          2HB       LYS 113 -14.487 -18.054   6.148
  866   2HB   LYS 113          1HB       LYS 113 -13.916 -16.403   6.326
  867   1HG   LYS 113          2HG       LYS 113 -12.528 -17.071   8.209
  868   2HG   LYS 113          1HG       LYS 113 -13.117 -18.726   8.064
  869   1HD   LYS 113          2HD       LYS 113 -10.942 -18.564   7.046
  870   2HD   LYS 113          1HD       LYS 113 -12.152 -18.822   5.789
  871   1HE   LYS 113          2HE       LYS 113 -12.049 -16.566   5.093
  872   2HE   LYS 113          1HE       LYS 113 -11.155 -16.085   6.534
  873   1HZ   LYS 113          1HZ       LYS 113  -9.740 -16.252   4.553
  874   2HZ   LYS 113          2HZ       LYS 113 -10.108 -17.903   4.433
  875   3HZ   LYS 113          3HZ       LYS 113  -9.259 -17.321   5.778
  Start of MODEL    4
    1   1H    MET   1          1HT       MET   1   5.975   2.927 -13.211
    2   2H    MET   1          2HT       MET   1   4.785   1.745 -12.964
    3   3H    MET   1          3HT       MET   1   6.412   1.386 -12.662
    4    HA   MET   1           HA       MET   1   6.473   2.954 -10.865
    5   1HB   MET   1          2HB       MET   1   4.740   4.461 -11.825
    6   2HB   MET   1          1HB       MET   1   3.515   3.287 -11.359
    7   1HG   MET   1          2HG       MET   1   3.694   5.120  -9.761
    8   2HG   MET   1          1HG       MET   1   4.092   3.566  -9.029
    9   1HE   MET   1          1HE       MET   1   5.446   7.013 -10.297
   10   2HE   MET   1          2HE       MET   1   6.270   5.894 -11.382
   11   3HE   MET   1          3HE       MET   1   7.190   6.794 -10.175
   12    H    ARG   2           H        ARG   2   6.164   2.093  -8.787
   13    HA   ARG   2           HA       ARG   2   4.739  -0.472  -8.734
   14   1HB   ARG   2          2HB       ARG   2   6.996   0.436  -6.944
   15   2HB   ARG   2          1HB       ARG   2   6.336  -1.180  -7.095
   16   1HG   ARG   2          2HG       ARG   2   7.291  -1.506  -9.209
   17   2HG   ARG   2          1HG       ARG   2   7.607   0.219  -9.412
   18   1HD   ARG   2          2HD       ARG   2   9.007  -0.295  -7.155
   19   2HD   ARG   2          1HD       ARG   2   9.150  -1.841  -7.994
   20    HE   ARG   2           HE       ARG   2  10.159  -0.659  -9.848
   21   1HH1  ARG   2          1HH1      ARG   2   9.840   1.147  -6.862
   22   2HH1  ARG   2          2HH1      ARG   2  11.110   2.264  -7.258
   23   1HH2  ARG   2          1HH2      ARG   2  11.820   0.840 -10.374
   24   2HH2  ARG   2          2HH2      ARG   2  12.217   2.103  -9.246
   25    H    ILE   3           H        ILE   3   3.102  -0.700  -7.316
   26    HA   ILE   3           HA       ILE   3   2.855   1.298  -5.173
   27    HB   ILE   3           HB       ILE   3   1.355   1.946  -7.021
   28   1HG1  ILE   3          2HG1      ILE   3  -0.135   0.908  -4.597
   29   2HG1  ILE   3          1HG1      ILE   3   0.739   2.434  -4.675
   30   1HG2  ILE   3          1HG2      ILE   3   0.012  -0.708  -6.530
   31   2HG2  ILE   3          2HG2      ILE   3   0.961  -0.274  -7.953
   32   3HG2  ILE   3          3HG2      ILE   3  -0.558   0.560  -7.618
   33   1HD1  ILE   3          1HD1      ILE   3  -1.655   2.761  -4.923
   34   2HD1  ILE   3          2HD1      ILE   3  -1.663   1.698  -6.331
   35   3HD1  ILE   3          3HD1      ILE   3  -0.792   3.231  -6.388
   36    H    PHE   4           H        PHE   4   1.851   0.601  -3.287
   37    HA   PHE   4           HA       PHE   4   1.723  -2.324  -3.017
   38   1HB   PHE   4          2HB       PHE   4   3.341  -1.104  -1.576
   39   2HB   PHE   4          1HB       PHE   4   2.008  -0.197  -0.878
   40    HD1  PHE   4           HD1      PHE   4   3.467  -3.572  -1.213
   41    HD2  PHE   4           HD2      PHE   4   0.722  -1.085   0.885
   42    HE1  PHE   4           HE1      PHE   4   3.187  -5.324   0.495
   43    HE2  PHE   4           HE2      PHE   4   0.438  -2.827   2.593
   44    HZ   PHE   4           HZ       PHE   4   1.672  -4.951   2.399
   45    H    VAL   5           H        VAL   5  -0.195  -3.240  -2.803
   46    HA   VAL   5           HA       VAL   5  -2.541  -1.593  -2.300
   47    HB   VAL   5           HB       VAL   5  -2.310  -4.530  -3.009
   48   1HG1  VAL   5          1HG1      VAL   5  -4.368  -4.010  -1.769
   49   2HG1  VAL   5          2HG1      VAL   5  -4.681  -4.479  -3.440
   50   3HG1  VAL   5          3HG1      VAL   5  -4.760  -2.778  -2.971
   51   1HG2  VAL   5          1HG2      VAL   5  -3.097  -3.827  -5.213
   52   2HG2  VAL   5          2HG2      VAL   5  -1.552  -3.088  -4.795
   53   3HG2  VAL   5          3HG2      VAL   5  -3.036  -2.142  -4.692
   54    H    TYR   6           H        TYR   6  -3.664  -1.613  -0.441
   55    HA   TYR   6           HA       TYR   6  -2.586  -3.289   1.719
   56   1HB   TYR   6          2HB       TYR   6  -3.204  -1.269   3.197
   57   2HB   TYR   6          1HB       TYR   6  -1.764  -1.147   2.197
   58    HD1  TYR   6           HD1      TYR   6  -5.194   0.042   2.694
   59    HD2  TYR   6           HD2      TYR   6  -1.695   0.372   0.298
   60    HE1  TYR   6           HE1      TYR   6  -6.080   2.103   1.693
   61    HE2  TYR   6           HE2      TYR   6  -2.573   2.436  -0.712
   62    HH   TYR   6           HH       TYR   6  -5.325   4.066   0.545
   63    H    GLY   7           H        GLY   7  -4.793  -4.139   0.248
   64   1HA   GLY   7          2HA       GLY   7  -6.516  -5.074   2.053
   65   2HA   GLY   7          1HA       GLY   7  -7.137  -3.446   1.830
   66    H    SER   8           H        SER   8  -7.336  -6.574   0.837
   67    HA   SER   8           HA       SER   8  -8.289  -7.707  -0.859
   68   1HB   SER   8          2HB       SER   8 -10.394  -6.735  -1.767
   69   2HB   SER   8          1HB       SER   8 -10.299  -6.712  -0.009
   70    HG   SER   8           HG       SER   8  -9.277  -4.433  -1.011
   71    H    LEU   9           H        LEU   9  -6.933  -8.087  -2.452
   72    HA   LEU   9           HA       LEU   9  -5.930  -6.203  -4.283
   73   1HB   LEU   9          2HB       LEU   9  -4.967  -8.021  -5.446
   74   2HB   LEU   9          1HB       LEU   9  -4.887  -8.387  -3.739
   75    HG   LEU   9           HG       LEU   9  -6.959  -9.546  -5.604
   76   1HD1  LEU   9          1HD1      LEU   9  -4.727 -10.225  -6.289
   77   2HD1  LEU   9          2HD1      LEU   9  -5.591 -11.578  -5.558
   78   3HD1  LEU   9          3HD1      LEU   9  -4.355 -10.718  -4.638
   79   1HD2  LEU   9          1HD2      LEU   9  -7.640  -9.573  -3.270
   80   2HD2  LEU   9          2HD2      LEU   9  -6.102 -10.300  -2.810
   81   3HD2  LEU   9          3HD2      LEU   9  -7.242 -11.204  -3.806
   82    H    ARG  10           H        ARG  10  -8.987  -6.637  -4.073
   83    HA   ARG  10           HA       ARG  10  -9.990  -7.438  -6.559
   84   1HB   ARG  10          2HB       ARG  10 -11.027  -5.348  -4.631
   85   2HB   ARG  10          1HB       ARG  10 -11.947  -6.009  -5.977
   86   1HG   ARG  10          2HG       ARG  10 -11.946  -8.184  -4.998
   87   2HG   ARG  10          1HG       ARG  10 -10.827  -7.668  -3.735
   88   1HD   ARG  10          2HD       ARG  10 -13.131  -7.809  -2.910
   89   2HD   ARG  10          1HD       ARG  10 -12.508  -6.165  -2.829
   90    HE   ARG  10           HE       ARG  10 -13.811  -5.816  -4.966
   91   1HH1  ARG  10          1HH1      ARG  10 -14.744  -8.222  -2.603
   92   2HH1  ARG  10          2HH1      ARG  10 -16.435  -8.141  -2.984
   93   1HH2  ARG  10          1HH2      ARG  10 -16.039  -5.662  -5.451
   94   2HH2  ARG  10          2HH2      ARG  10 -17.179  -6.668  -4.596
   95    H    HIS  11           H        HIS  11  -8.559  -4.476  -5.446
   96    HA   HIS  11           HA       HIS  11  -7.873  -2.572  -6.422
   97   1HB   HIS  11          2HB       HIS  11  -6.408  -2.843  -8.324
   98   2HB   HIS  11          1HB       HIS  11  -6.202  -4.190  -7.219
   99    HD1  HIS  11           HD1      HIS  11  -6.937  -6.545  -8.077
  100    HD2  HIS  11           HD2      HIS  11  -7.346  -3.492 -10.868
  101    HE1  HIS  11           HE1      HIS  11  -7.272  -7.688 -10.288
  102    HE2  HIS  11           HE2      HIS  11  -7.805  -5.818 -11.888
  103    H    LYS  12           H        LYS  12  -9.331  -1.075  -6.833
  104    HA   LYS  12           HA       LYS  12 -11.242  -1.259  -8.938
  105   1HB   LYS  12          2HB       LYS  12 -11.726   0.128  -7.016
  106   2HB   LYS  12          1HB       LYS  12 -10.291   1.102  -7.298
  107   1HG   LYS  12          2HG       LYS  12 -12.347   2.245  -7.984
  108   2HG   LYS  12          1HG       LYS  12 -11.243   1.982  -9.336
  109   1HD   LYS  12          2HD       LYS  12 -13.507   1.486 -10.027
  110   2HD   LYS  12          1HD       LYS  12 -12.561   0.000  -9.989
  111   1HE   LYS  12          2HE       LYS  12 -13.513  -0.495  -7.755
  112   2HE   LYS  12          1HE       LYS  12 -14.532   0.938  -7.903
  113   1HZ   LYS  12          1HZ       LYS  12 -15.750  -1.030  -8.541
  114   2HZ   LYS  12          2HZ       LYS  12 -14.572  -1.436  -9.689
  115   3HZ   LYS  12          3HZ       LYS  12 -15.517  -0.043  -9.901
  116    H    GLN  13           H        GLN  13 -10.880  -0.994 -11.042
  117    HA   GLN  13           HA       GLN  13  -8.364  -0.125 -12.037
  118   1HB   GLN  13          2HB       GLN  13 -10.981  -0.682 -13.431
  119   2HB   GLN  13          1HB       GLN  13  -9.531  -0.186 -14.284
  120   1HG   GLN  13          2HG       GLN  13  -9.550  -2.482 -14.518
  121   2HG   GLN  13          1HG       GLN  13  -8.410  -2.206 -13.207
  122   1HE2  GLN  13          1HE2      GLN  13 -11.903  -2.025 -12.844
  123   2HE2  GLN  13          2HE2      GLN  13 -12.048  -3.440 -11.862
  124    H    GLY  14           H        GLY  14  -7.804   1.948 -11.732
  125   1HA   GLY  14          2HA       GLY  14  -9.639   4.123 -12.159
  126   2HA   GLY  14          1HA       GLY  14  -7.899   4.254 -11.915
  127    H    ASN  15           H        ASN  15 -10.364   3.403 -14.286
  128    HA   ASN  15           HA       ASN  15 -10.521   3.696 -16.513
  129   1HB   ASN  15          2HB       ASN  15  -8.850   5.782 -15.776
  130   2HB   ASN  15          1HB       ASN  15  -7.926   4.944 -17.019
  131   1HD2  ASN  15          1HD2      ASN  15 -10.938   6.543 -16.286
  132   2HD2  ASN  15          2HD2      ASN  15 -11.362   6.903 -17.926
  133    H    SER  16           H        SER  16  -9.191   3.040 -18.594
  134    HA   SER  16           HA       SER  16  -8.207   0.444 -18.033
  135   1HB   SER  16          2HB       SER  16  -7.932   2.010 -20.616
  136   2HB   SER  16          1HB       SER  16  -7.786   0.261 -20.431
  137    HG   SER  16           HG       SER  16 -10.074   1.901 -20.301
  138    H    HIS  17           H        HIS  17  -6.826   3.515 -18.079
  139    HA   HIS  17           HA       HIS  17  -4.155   3.156 -18.669
  140   1HB   HIS  17          2HB       HIS  17  -5.450   5.269 -18.012
  141   2HB   HIS  17          1HB       HIS  17  -5.174   4.789 -16.343
  142    HD1  HIS  17           HD1      HIS  17  -3.896   7.085 -16.148
  143    HD2  HIS  17           HD2      HIS  17  -2.124   4.245 -18.622
  144    HE1  HIS  17           HE1      HIS  17  -1.537   7.883 -16.528
  145    HE2  HIS  17           HE2      HIS  17  -0.415   5.993 -17.764
  146    H    TRP  18           H        TRP  18  -5.992   1.927 -16.017
  147    HA   TRP  18           HA       TRP  18  -3.666   1.312 -14.401
  148   1HB   TRP  18          2HB       TRP  18  -5.813   2.003 -13.355
  149   2HB   TRP  18          1HB       TRP  18  -6.569   0.550 -13.996
  150    HD1  TRP  18           HD1      TRP  18  -5.950  -1.784 -12.811
  151    HE1  TRP  18           HE1      TRP  18  -4.926  -2.314 -10.509
  152    HE3  TRP  18           HE3      TRP  18  -4.156   2.856 -11.625
  153    HZ2  TRP  18           HZ2      TRP  18  -3.541  -0.953  -8.465
  154    HZ3  TRP  18           HZ3      TRP  18  -2.994   3.157  -9.475
  155    HH2  TRP  18           HH2      TRP  18  -2.694   1.291  -7.928
  156    H    MET  19           H        MET  19  -6.331  -0.635 -15.789
  157    HA   MET  19           HA       MET  19  -5.016  -3.057 -15.056
  158   1HB   MET  19          2HB       MET  19  -6.917  -4.191 -16.062
  159   2HB   MET  19          1HB       MET  19  -7.450  -2.862 -15.044
  160   1HG   MET  19          2HG       MET  19  -7.783  -1.478 -17.035
  161   2HG   MET  19          1HG       MET  19  -7.267  -2.826 -18.046
  162   1HE   MET  19          1HE       MET  19  -9.485  -2.682 -19.479
  163   2HE   MET  19          2HE       MET  19 -10.010  -1.307 -18.509
  164   3HE   MET  19          3HE       MET  19 -11.103  -2.662 -18.779
  165    H    THR  20           H        THR  20  -4.848  -1.131 -17.884
  166    HA   THR  20           HA       THR  20  -4.184  -3.335 -19.648
  167    HB   THR  20           HB       THR  20  -4.015  -0.372 -20.173
  168    HG1  THR  20           HG1      THR  20  -6.143  -0.910 -21.232
  169   1HG2  THR  20          1HG2      THR  20  -2.835  -1.887 -21.746
  170   2HG2  THR  20          2HG2      THR  20  -4.153  -0.985 -22.499
  171   3HG2  THR  20          3HG2      THR  20  -4.372  -2.686 -22.075
  172    H    ASN  21           H        ASN  21  -2.463  -3.408 -17.615
  173    HA   ASN  21           HA       ASN  21   0.066  -3.572 -18.496
  174   1HB   ASN  21          2HB       ASN  21   1.272  -1.549 -17.781
  175   2HB   ASN  21          1HB       ASN  21   0.113  -1.166 -19.048
  176   1HD2  ASN  21          1HD2      ASN  21  -1.562   0.187 -18.626
  177   2HD2  ASN  21          2HD2      ASN  21  -1.744   1.050 -17.137
  178    H    ALA  22           H        ALA  22  -2.161  -2.828 -16.046
  179    HA   ALA  22           HA       ALA  22  -0.770  -2.998 -13.683
  180   1HB   ALA  22          1HB       ALA  22  -3.413  -4.345 -14.235
  181   2HB   ALA  22          2HB       ALA  22  -3.198  -2.636 -13.847
  182   3HB   ALA  22          3HB       ALA  22  -2.782  -3.870 -12.659
  183    H    GLN  23           H        GLN  23   0.851  -4.345 -13.285
  184    HA   GLN  23           HA       GLN  23   0.496  -7.208 -13.881
  185   1HB   GLN  23          2HB       GLN  23   2.357  -6.152 -15.086
  186   2HB   GLN  23          1HB       GLN  23   3.036  -5.594 -13.565
  187   1HG   GLN  23          2HG       GLN  23   3.296  -7.966 -12.877
  188   2HG   GLN  23          1HG       GLN  23   2.760  -8.443 -14.486
  189   1HE2  GLN  23          1HE2      GLN  23   4.121  -8.120 -16.242
  190   2HE2  GLN  23          2HE2      GLN  23   5.798  -7.755 -16.055
  191    H    LEU  24           H        LEU  24   0.031  -8.369 -12.129
  192    HA   LEU  24           HA       LEU  24   0.535  -7.481  -9.474
  193   1HB   LEU  24          2HB       LEU  24  -1.337  -8.929  -9.911
  194   2HB   LEU  24          1HB       LEU  24  -0.293 -10.156 -10.597
  195    HG   LEU  24           HG       LEU  24   0.694 -10.563  -8.379
  196   1HD1  LEU  24          1HD1      LEU  24  -1.338  -8.566  -7.392
  197   2HD1  LEU  24          2HD1      LEU  24   0.409  -8.337  -7.426
  198   3HD1  LEU  24          3HD1      LEU  24  -0.298  -9.571  -6.383
  199   1HD2  LEU  24          1HD2      LEU  24  -2.318 -10.691  -8.407
  200   2HD2  LEU  24          2HD2      LEU  24  -1.246 -11.637  -7.376
  201   3HD2  LEU  24          3HD2      LEU  24  -1.224 -11.874  -9.124
  202    H    LEU  25           H        LEU  25   2.561  -7.257  -8.811
  203    HA   LEU  25           HA       LEU  25   4.731  -8.875  -9.701
  204   1HB   LEU  25          2HB       LEU  25   4.428  -6.895  -7.451
  205   2HB   LEU  25          1HB       LEU  25   5.942  -7.690  -7.821
  206    HG   LEU  25           HG       LEU  25   4.418  -5.860  -9.677
  207   1HD1  LEU  25          1HD1      LEU  25   6.968  -5.424  -8.127
  208   2HD1  LEU  25          2HD1      LEU  25   5.409  -4.661  -7.809
  209   3HD1  LEU  25          3HD1      LEU  25   6.275  -4.309  -9.306
  210   1HD2  LEU  25          1HD2      LEU  25   7.105  -7.201 -10.000
  211   2HD2  LEU  25          2HD2      LEU  25   6.429  -5.986 -11.085
  212   3HD2  LEU  25          3HD2      LEU  25   5.641  -7.555 -10.919
  213    H    GLY  26           H        GLY  26   2.718  -8.762  -6.820
  214   1HA   GLY  26          2HA       GLY  26   2.320 -11.277  -6.199
  215   2HA   GLY  26          1HA       GLY  26   4.019 -11.156  -5.758
  216    H    ASP  27           H        ASP  27   1.861 -11.742  -3.958
  217    HA   ASP  27           HA       ASP  27   1.411  -9.345  -2.441
  218   1HB   ASP  27          2HB       ASP  27   0.510 -10.934  -0.688
  219   2HB   ASP  27          1HB       ASP  27  -0.321 -10.914  -2.229
  220    H    PHE  28           H        PHE  28   2.226  -8.802  -0.521
  221    HA   PHE  28           HA       PHE  28   4.573 -10.162   0.508
  222   1HB   PHE  28          2HB       PHE  28   5.722  -9.012  -1.178
  223   2HB   PHE  28          1HB       PHE  28   4.700  -7.589  -1.038
  224    HD1  PHE  28           HD1      PHE  28   6.975  -9.545   1.217
  225    HD2  PHE  28           HD2      PHE  28   5.737  -5.746  -0.250
  226    HE1  PHE  28           HE1      PHE  28   8.666  -8.451   2.631
  227    HE2  PHE  28           HE2      PHE  28   7.422  -4.647   1.163
  228    HZ   PHE  28           HZ       PHE  28   8.882  -5.995   2.610
  229    H    SER  29           H        SER  29   4.320 -10.109   2.612
  230    HA   SER  29           HA       SER  29   2.643  -8.075   3.826
  231   1HB   SER  29          2HB       SER  29   3.997 -10.456   5.109
  232   2HB   SER  29          1HB       SER  29   2.704  -9.477   5.804
  233    HG   SER  29           HG       SER  29   2.341 -10.743   3.318
  234    H    ILE  30           H        ILE  30   3.295  -6.497   5.196
  235    HA   ILE  30           HA       ILE  30   6.178  -6.349   5.796
  236    HB   ILE  30           HB       ILE  30   5.799  -3.831   5.917
  237   1HG1  ILE  30          2HG1      ILE  30   3.339  -4.638   4.353
  238   2HG1  ILE  30          1HG1      ILE  30   3.380  -3.783   5.894
  239   1HG2  ILE  30          1HG2      ILE  30   6.149  -3.564   3.507
  240   2HG2  ILE  30          2HG2      ILE  30   5.643  -5.235   3.260
  241   3HG2  ILE  30          3HG2      ILE  30   7.106  -4.881   4.180
  242   1HD1  ILE  30          1HD1      ILE  30   4.505  -2.713   3.322
  243   2HD1  ILE  30          2HD1      ILE  30   4.342  -1.851   4.854
  244   3HD1  ILE  30          3HD1      ILE  30   2.903  -2.331   3.955
  245    H    ASP  31           H        ASP  31   6.772  -5.445   7.808
  246    HA   ASP  31           HA       ASP  31   4.705  -5.970   9.822
  247   1HB   ASP  31          2HB       ASP  31   6.747  -7.384   9.850
  248   2HB   ASP  31          1HB       ASP  31   7.711  -5.941  10.140
  249    H    ASN  32           H        ASN  32   4.523  -4.670  11.650
  250    HA   ASN  32           HA       ASN  32   4.492  -2.793  12.916
  251   1HB   ASN  32          2HB       ASN  32   6.721  -1.842  11.122
  252   2HB   ASN  32          1HB       ASN  32   6.098  -0.918  12.483
  253   1HD2  ASN  32          1HD2      ASN  32   8.004  -3.598  11.476
  254   2HD2  ASN  32          2HD2      ASN  32   8.650  -4.002  13.025
  255    H    TYR  33           H        TYR  33   2.759  -3.220  10.664
  256    HA   TYR  33           HA       TYR  33   1.889  -0.425  10.416
  257   1HB   TYR  33          2HB       TYR  33   1.862  -2.392   8.115
  258   2HB   TYR  33          1HB       TYR  33   1.128  -0.800   8.099
  259    HD1  TYR  33           HD1      TYR  33   4.278  -2.656   7.934
  260    HD2  TYR  33           HD2      TYR  33   2.492   1.202   7.944
  261    HE1  TYR  33           HE1      TYR  33   6.378  -1.688   7.095
  262    HE2  TYR  33           HE2      TYR  33   4.584   2.181   7.112
  263    HH   TYR  33           HH       TYR  33   6.816   1.784   6.802
  264    H    GLN  34           H        GLN  34  -0.246  -0.119  10.712
  265    HA   GLN  34           HA       GLN  34  -1.915  -2.522  11.102
  266   1HB   GLN  34          2HB       GLN  34  -2.110   0.211  12.389
  267   2HB   GLN  34          1HB       GLN  34  -3.306  -1.064  12.591
  268   1HG   GLN  34          2HG       GLN  34  -1.793  -2.434  13.763
  269   2HG   GLN  34          1HG       GLN  34  -0.414  -1.439  13.301
  270   1HE2  GLN  34          1HE2      GLN  34  -3.451  -0.080  14.317
  271   2HE2  GLN  34          2HE2      GLN  34  -2.888   0.565  15.821
  272    H    LEU  35           H        LEU  35  -4.180  -2.331  10.443
  273    HA   LEU  35           HA       LEU  35  -4.445  -0.468   8.174
  274   1HB   LEU  35          2HB       LEU  35  -4.091  -2.817   7.504
  275   2HB   LEU  35          1HB       LEU  35  -5.526  -3.276   8.402
  276    HG   LEU  35           HG       LEU  35  -6.876  -1.821   6.895
  277   1HD1  LEU  35          1HD1      LEU  35  -5.854  -1.069   4.800
  278   2HD1  LEU  35          2HD1      LEU  35  -4.278  -1.591   5.391
  279   3HD1  LEU  35          3HD1      LEU  35  -5.136  -0.283   6.206
  280   1HD2  LEU  35          1HD2      LEU  35  -6.799  -3.330   4.978
  281   2HD2  LEU  35          2HD2      LEU  35  -6.689  -4.230   6.491
  282   3HD2  LEU  35          3HD2      LEU  35  -5.241  -3.951   5.519
  283    H    TYR  36           H        TYR  36  -6.277   0.681   7.969
  284    HA   TYR  36           HA       TYR  36  -8.433   0.230   9.928
  285   1HB   TYR  36          2HB       TYR  36  -7.914   2.683   8.228
  286   2HB   TYR  36          1HB       TYR  36  -9.120   2.530   9.497
  287    HD1  TYR  36           HD1      TYR  36  -8.494   2.685  11.828
  288    HD2  TYR  36           HD2      TYR  36  -5.570   2.951   8.756
  289    HE1  TYR  36           HE1      TYR  36  -6.878   3.578  13.451
  290    HE2  TYR  36           HE2      TYR  36  -3.942   3.839  10.360
  291    HH   TYR  36           HH       TYR  36  -4.463   3.763  13.733
  292    H    SER  37           H        SER  37 -10.558   0.054   9.220
  293    HA   SER  37           HA       SER  37 -10.954  -0.106   6.302
  294   1HB   SER  37          2HB       SER  37 -12.539  -1.515   8.466
  295   2HB   SER  37          1HB       SER  37 -12.741  -1.706   6.726
  296    HG   SER  37           HG       SER  37 -10.177  -2.145   7.612
  297    H    LEU  38           H        LEU  38 -11.957   1.682   5.597
  298    HA   LEU  38           HA       LEU  38 -13.928   2.924   7.386
  299   1HB   LEU  38          2HB       LEU  38 -13.517   5.018   6.027
  300   2HB   LEU  38          1HB       LEU  38 -12.242   4.509   7.110
  301    HG   LEU  38           HG       LEU  38 -12.089   3.723   4.227
  302   1HD1  LEU  38          1HD1      LEU  38 -12.626   6.125   4.235
  303   2HD1  LEU  38          2HD1      LEU  38 -10.969   5.821   3.712
  304   3HD1  LEU  38          3HD1      LEU  38 -11.286   6.411   5.344
  305   1HD2  LEU  38          1HD2      LEU  38  -9.681   3.953   4.690
  306   2HD2  LEU  38          2HD2      LEU  38 -10.456   2.821   5.798
  307   3HD2  LEU  38          3HD2      LEU  38 -10.055   4.450   6.341
  308    H    GLY  39           H        GLY  39 -14.123   0.812   5.115
  309   1HA   GLY  39          2HA       GLY  39 -16.305   0.242   4.332
  310   2HA   GLY  39          1HA       GLY  39 -16.673   1.955   4.212
  311    H    HIS  40           H        HIS  40 -15.566   3.178   2.499
  312    HA   HIS  40           HA       HIS  40 -15.955   1.948   0.003
  313   1HB   HIS  40          2HB       HIS  40 -16.012   4.443   0.587
  314   2HB   HIS  40          1HB       HIS  40 -14.260   4.407   0.439
  315    HD1  HIS  40           HD1      HIS  40 -13.635   3.084  -2.089
  316    HD2  HIS  40           HD2      HIS  40 -17.074   5.377  -1.692
  317    HE1  HIS  40           HE1      HIS  40 -14.264   3.767  -4.427
  318    HE2  HIS  40           HE2      HIS  40 -16.354   5.152  -4.170
  319    H    TYR  41           H        TYR  41 -13.125   2.369   1.972
  320    HA   TYR  41           HA       TYR  41 -11.645   0.393   0.572
  321   1HB   TYR  41          2HB       TYR  41  -9.705   2.024   0.058
  322   2HB   TYR  41          1HB       TYR  41 -11.066   1.989  -1.055
  323    HD1  TYR  41           HD1      TYR  41  -9.700   3.881   1.859
  324    HD2  TYR  41           HD2      TYR  41 -12.191   3.956  -1.594
  325    HE1  TYR  41           HE1      TYR  41  -9.953   6.311   2.094
  326    HE2  TYR  41           HE2      TYR  41 -12.454   6.387  -1.358
  327    HH   TYR  41           HH       TYR  41 -10.481   8.262   0.530
  328    HA   PRO  42           HA       PRO  42  -9.531   0.616   4.488
  329   1HB   PRO  42          2HB       PRO  42  -7.148  -0.636   3.649
  330   2HB   PRO  42          1HB       PRO  42  -8.595  -1.431   4.266
  331   1HG   PRO  42          2HG       PRO  42  -7.578  -1.617   1.659
  332   2HG   PRO  42          1HG       PRO  42  -9.184  -2.133   2.195
  333   1HD   PRO  42          2HD       PRO  42  -8.359   0.364   0.795
  334   2HD   PRO  42          1HD       PRO  42  -9.874  -0.557   0.672
  335    H    GLY  43           H        GLY  43  -7.263   1.047   5.450
  336   1HA   GLY  43          2HA       GLY  43  -5.494   2.774   3.968
  337   2HA   GLY  43          1HA       GLY  43  -6.427   3.621   5.199
  338    H    ALA  44           H        ALA  44  -3.457   2.570   4.818
  339    HA   ALA  44           HA       ALA  44  -3.321   1.141   7.393
  340   1HB   ALA  44          1HB       ALA  44  -1.421   1.030   5.057
  341   2HB   ALA  44          2HB       ALA  44  -2.589  -0.210   5.515
  342   3HB   ALA  44          3HB       ALA  44  -1.228   0.154   6.575
  343    H    VAL  45           H        VAL  45  -1.390   1.492   8.695
  344    HA   VAL  45           HA       VAL  45   0.080   3.977   8.271
  345    HB   VAL  45           HB       VAL  45  -0.333   4.802  10.543
  346   1HG1  VAL  45          1HG1      VAL  45  -1.663   5.763   8.787
  347   2HG1  VAL  45          2HG1      VAL  45  -2.641   5.616  10.247
  348   3HG1  VAL  45          3HG1      VAL  45  -2.847   4.466   8.923
  349   1HG2  VAL  45          1HG2      VAL  45  -2.201   3.884  11.879
  350   2HG2  VAL  45          2HG2      VAL  45  -0.870   2.747  11.667
  351   3HG2  VAL  45          3HG2      VAL  45  -2.343   2.564  10.717
  352    HA   PRO  46           HA       PRO  46   3.267   1.651  10.404
  353   1HB   PRO  46          2HB       PRO  46   4.115   4.097  11.795
  354   2HB   PRO  46          1HB       PRO  46   4.997   3.123  10.616
  355   1HG   PRO  46          2HG       PRO  46   4.048   5.574  10.023
  356   2HG   PRO  46          1HG       PRO  46   4.124   4.274   8.818
  357   1HD   PRO  46          2HD       PRO  46   1.773   5.276  10.384
  358   2HD   PRO  46          1HD       PRO  46   1.870   4.799   8.675
  359    H    GLY  47           H        GLY  47   3.318   0.513  12.274
  360   1HA   GLY  47          2HA       GLY  47   2.724   1.495  14.833
  361   2HA   GLY  47          1HA       GLY  47   1.250   0.805  14.167
  362    H    ASN  48           H        ASN  48   0.930  -1.155  14.957
  363    HA   ASN  48           HA       ASN  48   3.203  -3.014  15.078
  364   1HB   ASN  48          2HB       ASN  48   1.391  -2.175  17.251
  365   2HB   ASN  48          1HB       ASN  48   1.639  -3.911  17.117
  366   1HD2  ASN  48          1HD2      ASN  48   4.129  -1.689  16.146
  367   2HD2  ASN  48          2HD2      ASN  48   5.196  -2.011  17.474
  368    H    GLY  49           H        GLY  49   2.439  -3.781  13.065
  369   1HA   GLY  49          2HA       GLY  49   0.664  -6.003  13.328
  370   2HA   GLY  49          1HA       GLY  49  -0.081  -4.697  12.412
  371    H    THR  50           H        THR  50   0.227  -6.983  11.070
  372    HA   THR  50           HA       THR  50   2.535  -6.415   9.334
  373    HB   THR  50           HB       THR  50   1.451  -9.162   9.983
  374    HG1  THR  50           HG1      THR  50   3.273  -7.573  11.226
  375   1HG2  THR  50          1HG2      THR  50   3.413  -9.973   8.747
  376   2HG2  THR  50          2HG2      THR  50   3.850  -8.313   8.347
  377   3HG2  THR  50          3HG2      THR  50   2.360  -9.009   7.713
  378    H    VAL  51           H        VAL  51   1.711  -5.578   7.526
  379    HA   VAL  51           HA       VAL  51  -1.011  -6.202   6.740
  380    HB   VAL  51           HB       VAL  51   0.981  -4.303   5.482
  381   1HG1  VAL  51          1HG1      VAL  51  -1.973  -4.670   4.963
  382   2HG1  VAL  51          2HG1      VAL  51  -0.662  -5.049   3.846
  383   3HG1  VAL  51          3HG1      VAL  51  -0.976  -3.374   4.301
  384   1HG2  VAL  51          1HG2      VAL  51   0.351  -3.600   7.716
  385   2HG2  VAL  51          2HG2      VAL  51  -1.356  -3.800   7.321
  386   3HG2  VAL  51          3HG2      VAL  51  -0.406  -2.551   6.517
  387    H    HIS  52           H        HIS  52  -1.409  -7.902   5.540
  388    HA   HIS  52           HA       HIS  52   0.633  -9.149   3.916
  389   1HB   HIS  52          2HB       HIS  52  -2.289  -9.820   4.351
  390   2HB   HIS  52          1HB       HIS  52  -1.165 -10.808   3.436
  391    HD1  HIS  52           HD1      HIS  52   0.171 -12.498   4.718
  392    HD2  HIS  52           HD2      HIS  52  -1.654  -9.692   7.192
  393    HE1  HIS  52           HE1      HIS  52   0.518 -13.331   7.065
  394    HE2  HIS  52           HE2      HIS  52  -0.392 -11.505   8.543
  395    H    GLY  53           H        GLY  53   0.620  -6.920   2.718
  396   1HA   GLY  53          2HA       GLY  53  -1.674  -6.450   1.024
  397   2HA   GLY  53          1HA       GLY  53  -0.234  -5.454   1.139
  398    H    GLU  54           H        GLU  54  -1.378  -5.912  -1.262
  399    HA   GLU  54           HA       GLU  54   0.300  -7.951  -2.550
  400   1HB   GLU  54          2HB       GLU  54  -2.159  -6.559  -3.630
  401   2HB   GLU  54          1HB       GLU  54  -1.293  -7.884  -4.394
  402   1HG   GLU  54          2HG       GLU  54  -2.985  -9.070  -3.463
  403   2HG   GLU  54          1HG       GLU  54  -1.870  -9.090  -2.101
  404    H    VAL  55           H        VAL  55   1.995  -7.270  -3.724
  405    HA   VAL  55           HA       VAL  55   2.275  -4.423  -4.254
  406    HB   VAL  55           HB       VAL  55   4.238  -6.638  -4.874
  407   1HG1  VAL  55          1HG1      VAL  55   5.894  -4.825  -4.896
  408   2HG1  VAL  55          2HG1      VAL  55   4.603  -3.652  -4.639
  409   3HG1  VAL  55          3HG1      VAL  55   4.654  -4.594  -6.129
  410   1HG2  VAL  55          1HG2      VAL  55   4.056  -4.865  -2.437
  411   2HG2  VAL  55          2HG2      VAL  55   5.377  -5.977  -2.797
  412   3HG2  VAL  55          3HG2      VAL  55   3.757  -6.605  -2.489
  413    H    TYR  56           H        TYR  56   1.965  -3.469  -6.160
  414    HA   TYR  56           HA       TYR  56   1.580  -5.189  -8.525
  415   1HB   TYR  56          2HB       TYR  56  -0.132  -3.037  -7.397
  416   2HB   TYR  56          1HB       TYR  56   0.014  -3.095  -9.147
  417    HD1  TYR  56           HD1      TYR  56  -1.118  -4.972  -6.169
  418    HD2  TYR  56           HD2      TYR  56  -1.084  -4.761 -10.417
  419    HE1  TYR  56           HE1      TYR  56  -2.884  -6.681  -6.265
  420    HE2  TYR  56           HE2      TYR  56  -2.844  -6.467 -10.526
  421    HH   TYR  56           HH       TYR  56  -3.762  -8.257  -9.164
  422    H    ARG  57           H        ARG  57   2.202  -4.389 -10.518
  423    HA   ARG  57           HA       ARG  57   3.763  -1.891 -10.485
  424   1HB   ARG  57          2HB       ARG  57   5.135  -3.842 -11.051
  425   2HB   ARG  57          1HB       ARG  57   4.010  -4.285 -12.328
  426   1HG   ARG  57          2HG       ARG  57   4.526  -2.047 -13.380
  427   2HG   ARG  57          1HG       ARG  57   5.849  -1.912 -12.221
  428   1HD   ARG  57          2HD       ARG  57   5.491  -4.196 -14.151
  429   2HD   ARG  57          1HD       ARG  57   6.526  -2.804 -14.445
  430    HE   ARG  57           HE       ARG  57   7.071  -4.285 -12.012
  431   1HH1  ARG  57          1HH1      ARG  57   7.816  -3.769 -15.381
  432   2HH1  ARG  57          2HH1      ARG  57   9.381  -4.523 -15.302
  433   1HH2  ARG  57          1HH2      ARG  57   9.154  -5.281 -11.868
  434   2HH2  ARG  57          2HH2      ARG  57  10.122  -5.412 -13.307
  435    H    ILE  58           H        ILE  58   2.770  -0.257 -11.436
  436    HA   ILE  58           HA       ILE  58   1.144  -0.759 -13.826
  437    HB   ILE  58           HB       ILE  58  -0.299   1.238 -12.988
  438   1HG1  ILE  58          2HG1      ILE  58  -0.627   1.009 -10.443
  439   2HG1  ILE  58          1HG1      ILE  58   0.963   0.264 -10.433
  440   1HG2  ILE  58          1HG2      ILE  58  -1.162  -0.983 -13.379
  441   2HG2  ILE  58          2HG2      ILE  58  -1.857  -0.311 -11.904
  442   3HG2  ILE  58          3HG2      ILE  58  -0.573  -1.517 -11.804
  443   1HD1  ILE  58          1HD1      ILE  58   1.919   2.297 -11.387
  444   2HD1  ILE  58          2HD1      ILE  58   1.109   2.597  -9.850
  445   3HD1  ILE  58          3HD1      ILE  58   0.323   3.048 -11.364
  446    H    ASP  59           H        ASP  59   0.833   1.274 -15.123
  447    HA   ASP  59           HA       ASP  59   3.231   2.479 -15.789
  448   1HB   ASP  59          2HB       ASP  59   1.406   2.584 -17.340
  449   2HB   ASP  59          1HB       ASP  59   0.406   3.473 -16.196
  450    H    ASN  60           H        ASN  60   4.221   4.433 -15.357
  451    HA   ASN  60           HA       ASN  60   4.227   5.258 -12.682
  452   1HB   ASN  60          2HB       ASN  60   5.311   6.591 -15.171
  453   2HB   ASN  60          1HB       ASN  60   5.571   7.231 -13.553
  454   1HD2  ASN  60          1HD2      ASN  60   7.756   6.971 -13.566
  455   2HD2  ASN  60          2HD2      ASN  60   8.528   5.415 -13.548
  456    H    ALA  61           H        ALA  61   2.753   6.729 -15.553
  457    HA   ALA  61           HA       ALA  61   1.857   9.072 -14.229
  458   1HB   ALA  61          1HB       ALA  61   0.548   9.491 -16.245
  459   2HB   ALA  61          2HB       ALA  61   0.867   7.849 -16.803
  460   3HB   ALA  61          3HB       ALA  61   2.193   9.002 -16.647
  461    H    THR  62           H        THR  62   0.458   5.896 -14.765
  462    HA   THR  62           HA       THR  62  -2.187   6.395 -14.075
  463    HB   THR  62           HB       THR  62  -0.642   3.924 -13.273
  464    HG1  THR  62           HG1      THR  62  -1.703   3.307 -15.467
  465   1HG2  THR  62          1HG2      THR  62  -3.551   4.369 -13.958
  466   2HG2  THR  62          2HG2      THR  62  -2.898   4.067 -12.348
  467   3HG2  THR  62          3HG2      THR  62  -2.813   2.811 -13.584
  468    H    LEU  63           H        LEU  63   0.637   5.946 -12.019
  469    HA   LEU  63           HA       LEU  63  -0.750   5.845  -9.543
  470   1HB   LEU  63          2HB       LEU  63   1.554   5.071  -9.693
  471   2HB   LEU  63          1HB       LEU  63   2.087   6.681 -10.148
  472    HG   LEU  63           HG       LEU  63   0.995   7.360  -7.857
  473   1HD1  LEU  63          1HD1      LEU  63   1.653   4.460  -7.400
  474   2HD1  LEU  63          2HD1      LEU  63   0.043   5.181  -7.370
  475   3HD1  LEU  63          3HD1      LEU  63   1.239   5.639  -6.154
  476   1HD2  LEU  63          1HD2      LEU  63   3.340   7.649  -8.423
  477   2HD2  LEU  63          2HD2      LEU  63   3.649   5.954  -8.041
  478   3HD2  LEU  63          3HD2      LEU  63   3.153   7.067  -6.768
  479    H    ALA  64           H        ALA  64   1.007   8.414 -11.233
  480    HA   ALA  64           HA       ALA  64   0.425  10.488  -9.446
  481   1HB   ALA  64          1HB       ALA  64   1.035  11.996 -11.252
  482   2HB   ALA  64          2HB       ALA  64   0.872  10.687 -12.422
  483   3HB   ALA  64          3HB       ALA  64   2.142  10.622 -11.200
  484    H    GLU  65           H        GLU  65  -1.479   8.985 -11.922
  485    HA   GLU  65           HA       GLU  65  -3.469  11.056 -12.068
  486   1HB   GLU  65          2HB       GLU  65  -3.122   9.570 -13.950
  487   2HB   GLU  65          1HB       GLU  65  -3.477   8.166 -12.958
  488   1HG   GLU  65          2HG       GLU  65  -5.754   8.653 -12.877
  489   2HG   GLU  65          1HG       GLU  65  -5.507  10.320 -13.391
  490    H    LEU  66           H        LEU  66  -3.317   7.845 -10.553
  491    HA   LEU  66           HA       LEU  66  -5.759   7.971  -9.175
  492   1HB   LEU  66          2HB       LEU  66  -4.564   5.889  -9.459
  493   2HB   LEU  66          1HB       LEU  66  -3.194   6.500  -8.559
  494    HG   LEU  66           HG       LEU  66  -5.815   6.346  -7.146
  495   1HD1  LEU  66          1HD1      LEU  66  -5.422   3.990  -6.597
  496   2HD1  LEU  66          2HD1      LEU  66  -4.070   3.954  -7.729
  497   3HD1  LEU  66          3HD1      LEU  66  -5.710   4.215  -8.322
  498   1HD2  LEU  66          1HD2      LEU  66  -4.387   5.799  -5.256
  499   2HD2  LEU  66          2HD2      LEU  66  -3.811   7.265  -6.048
  500   3HD2  LEU  66          3HD2      LEU  66  -2.978   5.735  -6.313
  501    H    ASP  67           H        ASP  67  -2.522   9.032  -8.345
  502    HA   ASP  67           HA       ASP  67  -2.952   9.817  -5.687
  503   1HB   ASP  67          2HB       ASP  67  -0.739   9.591  -6.882
  504   2HB   ASP  67          1HB       ASP  67  -1.085  11.116  -7.681
  505    H    ALA  68           H        ALA  68  -3.088  11.674  -8.704
  506    HA   ALA  68           HA       ALA  68  -3.788  14.148  -7.557
  507   1HB   ALA  68          1HB       ALA  68  -2.854  13.913  -9.811
  508   2HB   ALA  68          2HB       ALA  68  -4.359  14.833  -9.816
  509   3HB   ALA  68          3HB       ALA  68  -4.351  13.149 -10.344
  510    H    LEU  69           H        LEU  69  -5.660  11.340  -8.241
  511    HA   LEU  69           HA       LEU  69  -8.177  12.740  -8.011
  512   1HB   LEU  69          2HB       LEU  69  -7.339   9.933  -8.481
  513   2HB   LEU  69          1HB       LEU  69  -8.931  10.202  -7.792
  514    HG   LEU  69           HG       LEU  69  -7.945  11.363 -10.401
  515   1HD1  LEU  69          1HD1      LEU  69  -9.496   9.798 -11.449
  516   2HD1  LEU  69          2HD1      LEU  69  -9.896   9.120  -9.871
  517   3HD1  LEU  69          3HD1      LEU  69  -8.267   8.938 -10.522
  518   1HD2  LEU  69          1HD2      LEU  69 -10.650  11.430  -9.071
  519   2HD2  LEU  69          2HD2      LEU  69 -10.294  12.019 -10.695
  520   3HD2  LEU  69          3HD2      LEU  69  -9.558  12.797  -9.293
  521    H    ARG  70           H        ARG  70  -6.281  10.497  -6.036
  522    HA   ARG  70           HA       ARG  70  -8.254  10.398  -3.963
  523   1HB   ARG  70          2HB       ARG  70  -5.578   9.208  -4.434
  524   2HB   ARG  70          1HB       ARG  70  -6.087   9.351  -2.761
  525   1HG   ARG  70          2HG       ARG  70  -6.581   7.153  -3.797
  526   2HG   ARG  70          1HG       ARG  70  -7.998   7.973  -3.142
  527   1HD   ARG  70          2HD       ARG  70  -7.257   8.234  -6.036
  528   2HD   ARG  70          1HD       ARG  70  -8.172   6.839  -5.457
  529    HE   ARG  70           HE       ARG  70  -9.299   9.365  -4.651
  530   1HH1  ARG  70          1HH1      ARG  70  -9.213   6.983  -7.232
  531   2HH1  ARG  70          2HH1      ARG  70 -10.741   7.478  -7.903
  532   1HH2  ARG  70          1HH2      ARG  70 -11.285  10.012  -5.519
  533   2HH2  ARG  70          2HH2      ARG  70 -11.930   9.205  -6.925
  534    H    THR  71           H        THR  71  -5.002  11.835  -4.176
  535    HA   THR  71           HA       THR  71  -5.643  13.352  -1.728
  536    HB   THR  71           HB       THR  71  -4.028  11.656  -1.172
  537    HG1  THR  71           HG1      THR  71  -2.532  14.053  -1.455
  538   1HG2  THR  71          1HG2      THR  71  -2.318  12.753  -3.400
  539   2HG2  THR  71          2HG2      THR  71  -3.168  11.207  -3.410
  540   3HG2  THR  71          3HG2      THR  71  -1.853  11.486  -2.264
  541    H    ARG  72           H        ARG  72  -6.267  14.261  -4.183
  542    HA   ARG  72           HA       ARG  72  -4.600  15.771  -5.710
  543   1HB   ARG  72          2HB       ARG  72  -6.897  15.412  -6.250
  544   2HB   ARG  72          1HB       ARG  72  -7.430  16.257  -4.813
  545   1HG   ARG  72          2HG       ARG  72  -6.739  18.360  -5.719
  546   2HG   ARG  72          1HG       ARG  72  -5.990  17.561  -7.106
  547   1HD   ARG  72          2HD       ARG  72  -8.039  16.932  -8.011
  548   2HD   ARG  72          1HD       ARG  72  -8.888  17.146  -6.483
  549    HE   ARG  72           HE       ARG  72  -7.827  19.607  -7.463
  550   1HH1  ARG  72          1HH1      ARG  72 -10.440  17.308  -7.867
  551   2HH1  ARG  72          2HH1      ARG  72 -11.576  18.494  -8.441
  552   1HH2  ARG  72          1HH2      ARG  72  -9.341  21.181  -8.217
  553   2HH2  ARG  72          2HH2      ARG  72 -10.947  20.669  -8.643
  554    H    GLY  73           H        GLY  73  -6.068  16.732  -2.633
  555   1HA   GLY  73          2HA       GLY  73  -4.497  19.227  -2.788
  556   2HA   GLY  73          1HA       GLY  73  -6.050  19.096  -1.977
  557    H    GLY  74           H        GLY  74  -4.024  16.400  -1.550
  558   1HA   GLY  74          2HA       GLY  74  -2.517  15.893   0.197
  559   2HA   GLY  74          1HA       GLY  74  -2.889  17.444   0.935
  560    H    GLU  75           H        GLU  75  -4.023  14.181   0.412
  561    HA   GLU  75           HA       GLU  75  -5.804  14.467   2.753
  562   1HB   GLU  75          2HB       GLU  75  -6.978  14.339   0.505
  563   2HB   GLU  75          1HB       GLU  75  -6.341  12.708   0.357
  564   1HG   GLU  75          2HG       GLU  75  -8.596  12.589   1.134
  565   2HG   GLU  75          1HG       GLU  75  -7.520  12.106   2.446
  566    H    TYR  76           H        TYR  76  -3.406  12.655   1.046
  567    HA   TYR  76           HA       TYR  76  -3.359  10.675   3.217
  568   1HB   TYR  76          2HB       TYR  76  -2.954  10.090   0.273
  569   2HB   TYR  76          1HB       TYR  76  -2.731   8.934   1.580
  570    HD1  TYR  76           HD1      TYR  76  -5.181  10.756  -0.432
  571    HD2  TYR  76           HD2      TYR  76  -4.637   8.003   2.759
  572    HE1  TYR  76           HE1      TYR  76  -7.564  10.161  -0.543
  573    HE2  TYR  76           HE2      TYR  76  -7.016   7.402   2.653
  574    HH   TYR  76           HH       TYR  76  -9.114   8.365   1.892
  575    H    ALA  77           H        ALA  77  -1.242   9.542   3.328
  576    HA   ALA  77           HA       ALA  77   0.945  11.375   2.597
  577   1HB   ALA  77          1HB       ALA  77   0.657  11.120   5.011
  578   2HB   ALA  77          2HB       ALA  77   2.193  10.436   4.479
  579   3HB   ALA  77          3HB       ALA  77   0.837   9.373   4.852
  580    H    ARG  78           H        ARG  78   2.419  10.669   1.207
  581    HA   ARG  78           HA       ARG  78   2.201   7.955   0.196
  582   1HB   ARG  78          2HB       ARG  78   4.122  10.126  -0.657
  583   2HB   ARG  78          1HB       ARG  78   3.722   8.662  -1.539
  584   1HG   ARG  78          2HG       ARG  78   1.484   9.474  -1.949
  585   2HG   ARG  78          1HG       ARG  78   1.795  10.904  -0.959
  586   1HD   ARG  78          2HD       ARG  78   3.662  11.473  -2.516
  587   2HD   ARG  78          1HD       ARG  78   3.135  10.148  -3.547
  588    HE   ARG  78           HE       ARG  78   1.045  11.345  -3.893
  589   1HH1  ARG  78          1HH1      ARG  78   3.682  13.163  -2.443
  590   2HH1  ARG  78          2HH1      ARG  78   3.135  14.696  -3.065
  591   1HH2  ARG  78          1HH2      ARG  78   0.327  13.351  -4.712
  592   2HH2  ARG  78          2HH2      ARG  78   1.226  14.799  -4.340
  593    H    GLN  79           H        GLN  79   3.173   6.447   1.426
  594    HA   GLN  79           HA       GLN  79   5.861   7.046   2.465
  595   1HB   GLN  79          2HB       GLN  79   3.989   6.159   4.003
  596   2HB   GLN  79          1HB       GLN  79   4.197   4.631   3.163
  597   1HG   GLN  79          2HG       GLN  79   6.551   4.582   3.837
  598   2HG   GLN  79          1HG       GLN  79   6.326   6.096   4.709
  599   1HE2  GLN  79          1HE2      GLN  79   3.619   5.277   5.568
  600   2HE2  GLN  79          2HE2      GLN  79   3.868   4.130   6.835
  601    H    LEU  80           H        LEU  80   7.325   6.525   0.936
  602    HA   LEU  80           HA       LEU  80   6.868   4.314  -0.851
  603   1HB   LEU  80          2HB       LEU  80   8.047   6.357  -1.597
  604   2HB   LEU  80          1HB       LEU  80   9.347   6.000  -0.472
  605    HG   LEU  80           HG       LEU  80   9.761   3.874  -1.689
  606   1HD1  LEU  80          1HD1      LEU  80   7.789   5.001  -3.673
  607   2HD1  LEU  80          2HD1      LEU  80   7.535   3.587  -2.651
  608   3HD1  LEU  80          3HD1      LEU  80   8.784   3.561  -3.897
  609   1HD2  LEU  80          1HD2      LEU  80  10.853   4.899  -3.602
  610   2HD2  LEU  80          2HD2      LEU  80  11.064   5.894  -2.161
  611   3HD2  LEU  80          3HD2      LEU  80   9.887   6.358  -3.390
  612    H    ILE  81           H        ILE  81   7.134   2.319  -0.217
  613    HA   ILE  81           HA       ILE  81   9.117   1.738   1.877
  614    HB   ILE  81           HB       ILE  81   7.802  -0.326   2.289
  615   1HG1  ILE  81          2HG1      ILE  81   5.730   0.942   0.481
  616   2HG1  ILE  81          1HG1      ILE  81   6.770  -0.385  -0.018
  617   1HG2  ILE  81          1HG2      ILE  81   7.458   1.610   3.678
  618   2HG2  ILE  81          2HG2      ILE  81   5.898   0.840   3.380
  619   3HG2  ILE  81          3HG2      ILE  81   6.344   2.305   2.501
  620   1HD1  ILE  81          1HD1      ILE  81   4.748  -0.445   2.206
  621   2HD1  ILE  81          2HD1      ILE  81   5.818  -1.776   1.762
  622   3HD1  ILE  81          3HD1      ILE  81   4.597  -1.206   0.622
  623    H    GLN  82           H        GLN  82  10.354  -0.233   1.679
  624    HA   GLN  82           HA       GLN  82  10.946  -0.747  -1.141
  625   1HB   GLN  82          2HB       GLN  82  12.577  -0.689   1.326
  626   2HB   GLN  82          1HB       GLN  82  13.026  -1.892   0.125
  627   1HG   GLN  82          2HG       GLN  82  12.630   0.985  -0.614
  628   2HG   GLN  82          1HG       GLN  82  14.163   0.396   0.025
  629   1HE2  GLN  82          1HE2      GLN  82  12.188  -1.663  -1.955
  630   2HE2  GLN  82          2HE2      GLN  82  13.185  -1.621  -3.354
  631    H    THR  83           H        THR  83   9.919  -2.423  -1.936
  632    HA   THR  83           HA       THR  83   9.585  -4.833  -0.312
  633    HB   THR  83           HB       THR  83   7.922  -5.513  -1.797
  634    HG1  THR  83           HG1      THR  83   8.775  -3.727  -3.834
  635   1HG2  THR  83          1HG2      THR  83   7.206  -3.422  -0.755
  636   2HG2  THR  83          2HG2      THR  83   6.554  -3.550  -2.390
  637   3HG2  THR  83          3HG2      THR  83   7.940  -2.503  -2.072
  638    HA   PRO  84           HA       PRO  84  12.842  -7.041  -2.403
  639   1HB   PRO  84          2HB       PRO  84  11.068  -9.313  -2.992
  640   2HB   PRO  84          1HB       PRO  84  12.493  -9.242  -1.952
  641   1HG   PRO  84          2HG       PRO  84  10.011  -9.465  -0.942
  642   2HG   PRO  84          1HG       PRO  84  11.284  -8.544  -0.116
  643   1HD   PRO  84          2HD       PRO  84   9.005  -7.552  -1.792
  644   2HD   PRO  84          1HD       PRO  84   9.652  -6.902  -0.270
  645    H    TYR  85           H        TYR  85  10.086  -6.061  -4.022
  646    HA   TYR  85           HA       TYR  85  11.222  -6.876  -6.619
  647   1HB   TYR  85          2HB       TYR  85   8.310  -6.421  -5.922
  648   2HB   TYR  85          1HB       TYR  85   8.926  -6.827  -7.522
  649    HD1  TYR  85           HD1      TYR  85   7.597  -8.130  -4.521
  650    HD2  TYR  85           HD2      TYR  85  10.330  -9.041  -7.652
  651    HE1  TYR  85           HE1      TYR  85   7.440 -10.521  -3.953
  652    HE2  TYR  85           HE2      TYR  85  10.179 -11.432  -7.098
  653    HH   TYR  85           HH       TYR  85   7.797 -12.737  -5.112
  654    H    GLY  86           H        GLY  86  11.384  -4.427  -4.735
  655   1HA   GLY  86          2HA       GLY  86  12.253  -2.376  -5.806
  656   2HA   GLY  86          1HA       GLY  86  10.836  -2.431  -6.843
  657    H    SER  87           H        SER  87  11.622  -0.211  -5.208
  658    HA   SER  87           HA       SER  87  10.072  -0.112  -2.850
  659   1HB   SER  87          2HB       SER  87  10.346   2.416  -3.184
  660   2HB   SER  87          1HB       SER  87  11.815   1.464  -2.994
  661    HG   SER  87           HG       SER  87  11.914   2.979  -4.738
  662    H    ALA  88           H        ALA  88   7.993   0.330  -2.503
  663    HA   ALA  88           HA       ALA  88   6.331   1.088  -4.816
  664   1HB   ALA  88          1HB       ALA  88   4.577  -0.408  -3.974
  665   2HB   ALA  88          2HB       ALA  88   5.655  -0.939  -2.682
  666   3HB   ALA  88          3HB       ALA  88   6.053  -1.291  -4.365
  667    H    TRP  89           H        TRP  89   4.441   2.292  -4.319
  668    HA   TRP  89           HA       TRP  89   4.842   4.041  -2.047
  669   1HB   TRP  89          2HB       TRP  89   2.789   4.138  -4.268
  670   2HB   TRP  89          1HB       TRP  89   3.050   5.391  -3.065
  671    HD1  TRP  89           HD1      TRP  89   4.451   4.030  -6.284
  672    HE1  TRP  89           HE1      TRP  89   6.303   5.604  -7.104
  673    HE3  TRP  89           HE3      TRP  89   4.897   7.012  -2.154
  674    HZ2  TRP  89           HZ2      TRP  89   7.778   7.813  -6.141
  675    HZ3  TRP  89           HZ3      TRP  89   6.556   8.827  -2.178
  676    HH2  TRP  89           HH2      TRP  89   7.968   9.219  -4.134
  677    H    MET  90           H        MET  90   3.907   3.767  -0.166
  678    HA   MET  90           HA       MET  90   1.375   2.276   0.019
  679   1HB   MET  90          2HB       MET  90   3.442   1.561   1.340
  680   2HB   MET  90          1HB       MET  90   3.245   3.045   2.265
  681   1HG   MET  90          2HG       MET  90   1.051   2.309   3.004
  682   2HG   MET  90          1HG       MET  90   1.215   0.833   2.055
  683   1HE   MET  90          1HE       MET  90   1.585  -0.673   5.597
  684   2HE   MET  90          2HE       MET  90   0.860  -0.857   4.000
  685   3HE   MET  90          3HE       MET  90   0.439   0.530   5.006
  686    H    TYR  91           H        TYR  91  -0.443   3.459   0.407
  687    HA   TYR  91           HA       TYR  91  -0.135   6.268   1.119
  688   1HB   TYR  91          2HB       TYR  91  -2.444   4.648   0.078
  689   2HB   TYR  91          1HB       TYR  91  -2.695   6.249   0.760
  690    HD1  TYR  91           HD1      TYR  91  -1.754   4.391  -2.153
  691    HD2  TYR  91           HD2      TYR  91  -1.466   8.207  -0.304
  692    HE1  TYR  91           HE1      TYR  91  -1.221   5.401  -4.331
  693    HE2  TYR  91           HE2      TYR  91  -0.925   9.229  -2.475
  694    HH   TYR  91           HH       TYR  91  -0.313   8.800  -4.621
  695    H    VAL  92           H        VAL  92  -0.121   6.829   3.167
  696    HA   VAL  92           HA       VAL  92  -1.606   5.244   5.122
  697    HB   VAL  92           HB       VAL  92   0.538   7.340   5.367
  698   1HG1  VAL  92          1HG1      VAL  92   0.230   7.313   7.814
  699   2HG1  VAL  92          2HG1      VAL  92  -1.262   6.396   7.598
  700   3HG1  VAL  92          3HG1      VAL  92  -1.142   8.042   6.977
  701   1HG2  VAL  92          1HG2      VAL  92   1.148   4.966   5.147
  702   2HG2  VAL  92          2HG2      VAL  92   0.184   4.602   6.583
  703   3HG2  VAL  92          3HG2      VAL  92   1.615   5.627   6.715
  704    H    TYR  93           H        TYR  93  -3.504   5.862   5.898
  705    HA   TYR  93           HA       TYR  93  -4.769   8.207   4.814
  706   1HB   TYR  93          2HB       TYR  93  -6.022   6.096   5.123
  707   2HB   TYR  93          1HB       TYR  93  -5.786   6.215   6.863
  708    HD1  TYR  93           HD1      TYR  93  -7.701   6.835   7.992
  709    HD2  TYR  93           HD2      TYR  93  -6.962   8.525   4.161
  710    HE1  TYR  93           HE1      TYR  93  -9.775   8.148   8.174
  711    HE2  TYR  93           HE2      TYR  93  -9.030   9.837   4.330
  712    HH   TYR  93           HH       TYR  93 -10.768  10.174   7.248
  713    H    GLN  94           H        GLN  94  -4.947  10.041   5.563
  714    HA   GLN  94           HA       GLN  94  -3.782  10.704   8.124
  715   1HB   GLN  94          2HB       GLN  94  -4.930  12.483   5.971
  716   2HB   GLN  94          1HB       GLN  94  -3.926  12.962   7.309
  717   1HG   GLN  94          2HG       GLN  94  -3.078  11.240   5.012
  718   2HG   GLN  94          1HG       GLN  94  -2.654  12.932   5.258
  719   1HE2  GLN  94          1HE2      GLN  94  -2.039   9.665   6.162
  720   2HE2  GLN  94          2HE2      GLN  94  -0.627   9.966   7.115
  721    H    ARG  95           H        ARG  95  -5.293  12.991   8.721
  722    HA   ARG  95           HA       ARG  95  -7.263  13.793   9.558
  723   1HB   ARG  95          2HB       ARG  95  -8.587  11.460   8.150
  724   2HB   ARG  95          1HB       ARG  95  -9.389  12.893   8.765
  725   1HG   ARG  95          2HG       ARG  95  -7.312  12.955   6.599
  726   2HG   ARG  95          1HG       ARG  95  -9.042  12.830   6.289
  727   1HD   ARG  95          2HD       ARG  95  -9.333  14.949   7.588
  728   2HD   ARG  95          1HD       ARG  95  -7.574  15.089   7.634
  729    HE   ARG  95           HE       ARG  95  -8.530  14.714   4.976
  730   1HH1  ARG  95          1HH1      ARG  95  -8.195  17.138   7.491
  731   2HH1  ARG  95          2HH1      ARG  95  -8.119  18.466   6.368
  732   1HH2  ARG  95          1HH2      ARG  95  -8.456  16.449   3.513
  733   2HH2  ARG  95          2HH2      ARG  95  -8.272  18.076   4.115
  734    HA   PRO  96           HA       PRO  96  -8.201  11.382  13.259
  735   1HB   PRO  96          2HB       PRO  96 -10.935  11.685  13.463
  736   2HB   PRO  96          1HB       PRO  96  -9.754  12.866  14.036
  737   1HG   PRO  96          2HG       PRO  96 -11.317  12.832  11.488
  738   2HG   PRO  96          1HG       PRO  96 -10.932  14.199  12.549
  739   1HD   PRO  96          2HD       PRO  96  -9.597  13.784  10.266
  740   2HD   PRO  96          1HD       PRO  96  -8.779  14.400  11.716
  741    H    VAL  97           H        VAL  97  -8.493   9.254  13.560
  742    HA   VAL  97           HA       VAL  97  -9.828   7.752  11.423
  743    HB   VAL  97           HB       VAL  97  -8.589   5.789  12.281
  744   1HG1  VAL  97          1HG1      VAL  97  -6.892   8.194  11.617
  745   2HG1  VAL  97          2HG1      VAL  97  -7.640   7.085  10.466
  746   3HG1  VAL  97          3HG1      VAL  97  -6.356   6.516  11.534
  747   1HG2  VAL  97          1HG2      VAL  97  -8.363   6.472  14.617
  748   2HG2  VAL  97          2HG2      VAL  97  -7.283   7.781  14.139
  749   3HG2  VAL  97          3HG2      VAL  97  -6.788   6.104  13.913
  750    H    ASP  98           H        ASP  98 -10.849   9.026  14.113
  751    HA   ASP  98           HA       ASP  98 -11.856   6.983  15.733
  752   1HB   ASP  98          2HB       ASP  98 -12.772   9.803  15.208
  753   2HB   ASP  98          1HB       ASP  98 -13.596   8.752  16.352
  754    H    GLY  99           H        GLY  99 -13.396   5.524  15.421
  755   1HA   GLY  99          2HA       GLY  99 -15.668   4.999  14.906
  756   2HA   GLY  99          1HA       GLY  99 -15.623   6.206  13.632
  757    H    LEU 100           H        LEU 100 -12.805   4.835  13.112
  758    HA   LEU 100           HA       LEU 100 -13.890   3.118  11.038
  759   1HB   LEU 100          2HB       LEU 100 -10.992   3.691  11.638
  760   2HB   LEU 100          1HB       LEU 100 -11.655   3.036  10.157
  761    HG   LEU 100           HG       LEU 100 -12.015   5.847  11.189
  762   1HD1  LEU 100          1HD1      LEU 100 -10.788   6.452   9.147
  763   2HD1  LEU 100          2HD1      LEU 100 -10.535   4.739   8.810
  764   3HD1  LEU 100          3HD1      LEU 100  -9.824   5.470  10.250
  765   1HD2  LEU 100          1HD2      LEU 100 -13.119   4.560   8.698
  766   2HD2  LEU 100          2HD2      LEU 100 -13.205   6.276   9.099
  767   3HD2  LEU 100          3HD2      LEU 100 -14.051   5.093  10.098
  768    H    LYS 101           H        LYS 101 -13.033   0.951  10.685
  769    HA   LYS 101           HA       LYS 101 -12.733  -0.497  13.194
  770   1HB   LYS 101          2HB       LYS 101 -12.918  -1.566  10.366
  771   2HB   LYS 101          1HB       LYS 101 -12.987  -2.523  11.839
  772   1HG   LYS 101          2HG       LYS 101 -15.059  -1.283  12.464
  773   2HG   LYS 101          1HG       LYS 101 -15.010  -0.514  10.877
  774   1HD   LYS 101          2HD       LYS 101 -15.242  -3.474  11.426
  775   2HD   LYS 101          1HD       LYS 101 -16.525  -2.412  10.842
  776   1HE   LYS 101          2HE       LYS 101 -15.220  -1.973   8.811
  777   2HE   LYS 101          1HE       LYS 101 -13.958  -3.057   9.398
  778   1HZ   LYS 101          1HZ       LYS 101 -16.741  -3.778   8.655
  779   2HZ   LYS 101          2HZ       LYS 101 -15.668  -4.843   9.424
  780   3HZ   LYS 101          3HZ       LYS 101 -15.307  -4.253   7.876
  781    H    LEU 102           H        LEU 102 -10.792  -0.953  13.995
  782    HA   LEU 102           HA       LEU 102  -8.470  -0.656  12.231
  783   1HB   LEU 102          2HB       LEU 102  -8.452   0.679  14.263
  784   2HB   LEU 102          1HB       LEU 102  -8.680  -0.757  15.243
  785    HG   LEU 102           HG       LEU 102  -6.465  -1.578  14.576
  786   1HD1  LEU 102          1HD1      LEU 102  -4.941  -0.174  13.314
  787   2HD1  LEU 102          2HD1      LEU 102  -6.204   1.039  13.105
  788   3HD1  LEU 102          3HD1      LEU 102  -6.373  -0.549  12.355
  789   1HD2  LEU 102          1HD2      LEU 102  -6.462   1.246  15.635
  790   2HD2  LEU 102          2HD2      LEU 102  -5.132   0.097  15.775
  791   3HD2  LEU 102          3HD2      LEU 102  -6.664  -0.226  16.585
  792    H    ILE 103           H        ILE 103  -7.496  -2.365  11.454
  793    HA   ILE 103           HA       ILE 103  -7.853  -4.961  12.753
  794    HB   ILE 103           HB       ILE 103  -6.698  -4.436  10.007
  795   1HG1  ILE 103          2HG1      ILE 103  -9.545  -5.169  10.730
  796   2HG1  ILE 103          1HG1      ILE 103  -9.021  -3.606  10.112
  797   1HG2  ILE 103          1HG2      ILE 103  -7.787  -6.912  11.335
  798   2HG2  ILE 103          2HG2      ILE 103  -6.097  -6.575  10.960
  799   3HG2  ILE 103          3HG2      ILE 103  -7.261  -6.813   9.654
  800   1HD1  ILE 103          1HD1      ILE 103  -8.836  -6.224   8.636
  801   2HD1  ILE 103          2HD1      ILE 103  -8.360  -4.644   8.014
  802   3HD1  ILE 103          3HD1      ILE 103 -10.054  -4.976   8.379
  803    H    GLU 104           H        GLU 104  -6.366  -4.881  14.335
  804    HA   GLU 104           HA       GLU 104  -3.841  -3.639  14.184
  805   1HB   GLU 104          2HB       GLU 104  -4.813  -5.806  16.060
  806   2HB   GLU 104          1HB       GLU 104  -3.416  -4.769  16.325
  807   1HG   GLU 104          2HG       GLU 104  -4.713  -2.899  16.730
  808   2HG   GLU 104          1HG       GLU 104  -6.119  -3.570  15.904
  809    H    SER 105           H        SER 105  -4.976  -6.658  13.089
  810    HA   SER 105           HA       SER 105  -2.507  -8.093  13.342
  811   1HB   SER 105          2HB       SER 105  -3.670  -9.762  11.848
  812   2HB   SER 105          1HB       SER 105  -4.510  -9.382  13.350
  813    HG   SER 105           HG       SER 105  -5.555  -9.302  11.019
  814    H    GLY 106           H        GLY 106  -4.179  -6.436  10.699
  815   1HA   GLY 106          2HA       GLY 106  -2.901  -5.206   9.059
  816   2HA   GLY 106          1HA       GLY 106  -1.622  -6.399   9.232
  817    H    ASP 107           H        ASP 107  -4.639  -7.858   9.203
  818    HA   ASP 107           HA       ASP 107  -4.367  -8.490   6.339
  819   1HB   ASP 107          2HB       ASP 107  -5.537 -10.599   6.839
  820   2HB   ASP 107          1HB       ASP 107  -4.059 -10.450   7.780
  821    H    TRP 108           H        TRP 108  -6.633  -9.300   5.471
  822    HA   TRP 108           HA       TRP 108  -8.666  -7.397   6.393
  823   1HB   TRP 108          2HB       TRP 108  -9.581  -8.548   3.994
  824   2HB   TRP 108          1HB       TRP 108  -9.005  -6.908   4.234
  825    HD1  TRP 108           HD1      TRP 108  -8.283  -9.928   2.250
  826    HE1  TRP 108           HE1      TRP 108  -5.988  -9.657   1.064
  827    HE3  TRP 108           HE3      TRP 108  -6.534  -5.950   4.855
  828    HZ2  TRP 108           HZ2      TRP 108  -3.722  -7.943   1.267
  829    HZ3  TRP 108           HZ3      TRP 108  -4.338  -5.059   4.361
  830    HH2  TRP 108           HH2      TRP 108  -2.931  -6.022   2.592
  831    H    LEU 109           H        LEU 109  -7.982 -10.687   5.503
  832    HA   LEU 109           HA       LEU 109 -10.565 -11.574   6.562
  833   1HB   LEU 109          2HB       LEU 109  -9.085 -12.630   4.152
  834   2HB   LEU 109          1HB       LEU 109 -10.525 -13.364   4.838
  835    HG   LEU 109           HG       LEU 109 -10.427 -10.565   3.713
  836   1HD1  LEU 109          1HD1      LEU 109 -10.004 -12.200   1.958
  837   2HD1  LEU 109          2HD1      LEU 109 -11.600 -11.473   1.780
  838   3HD1  LEU 109          3HD1      LEU 109 -11.442 -13.102   2.441
  839   1HD2  LEU 109          1HD2      LEU 109 -12.171 -10.918   5.386
  840   2HD2  LEU 109          2HD2      LEU 109 -12.741 -12.333   4.503
  841   3HD2  LEU 109          3HD2      LEU 109 -12.866 -10.731   3.777
  842    H    ASP 110           H        ASP 110  -7.758 -11.385   7.649
  843    HA   ASP 110           HA       ASP 110  -6.209 -12.550   8.785
  844   1HB   ASP 110          2HB       ASP 110  -8.102 -13.056  10.214
  845   2HB   ASP 110          1HB       ASP 110  -8.557 -14.413   9.193
  846    H    ARG 111           H        ARG 111  -7.401 -15.688   8.312
  847    HA   ARG 111           HA       ARG 111  -5.516 -16.147   6.095
  848   1HB   ARG 111          2HB       ARG 111  -6.036 -18.103   8.327
  849   2HB   ARG 111          1HB       ARG 111  -4.700 -18.086   7.177
  850   1HG   ARG 111          2HG       ARG 111  -3.643 -16.312   8.239
  851   2HG   ARG 111          1HG       ARG 111  -5.105 -15.829   9.098
  852   1HD   ARG 111          2HD       ARG 111  -4.733 -18.365  10.019
  853   2HD   ARG 111          1HD       ARG 111  -3.070 -17.820   9.795
  854    HE   ARG 111           HE       ARG 111  -4.849 -16.007  11.214
  855   1HH1  ARG 111          1HH1      ARG 111  -2.315 -18.420  11.394
  856   2HH1  ARG 111          2HH1      ARG 111  -1.903 -18.043  13.038
  857   1HH2  ARG 111          1HH2      ARG 111  -4.309 -15.519  13.392
  858   2HH2  ARG 111          2HH2      ARG 111  -3.042 -16.422  14.179
  859    H    ASP 112           H        ASP 112  -8.554 -15.985   6.947
  860    HA   ASP 112           HA       ASP 112  -9.524 -18.333   5.502
  861   1HB   ASP 112          2HB       ASP 112 -10.829 -16.322   7.329
  862   2HB   ASP 112          1HB       ASP 112 -11.785 -17.370   6.290
  863    H    LYS 113           H        LYS 113  -8.467 -17.211   3.636
  864    HA   LYS 113           HA       LYS 113  -9.681 -14.782   2.677
  865   1HB   LYS 113          2HB       LYS 113  -7.707 -16.589   1.280
  866   2HB   LYS 113          1HB       LYS 113  -8.074 -14.919   0.870
  867   1HG   LYS 113          2HG       LYS 113  -7.166 -14.203   3.032
  868   2HG   LYS 113          1HG       LYS 113  -6.764 -15.875   3.404
  869   1HD   LYS 113          2HD       LYS 113  -5.694 -14.437   0.987
  870   2HD   LYS 113          1HD       LYS 113  -4.873 -14.436   2.544
  871   1HE   LYS 113          2HE       LYS 113  -3.846 -16.156   1.321
  872   2HE   LYS 113          1HE       LYS 113  -4.953 -16.975   2.418
  873   1HZ   LYS 113          1HZ       LYS 113  -4.963 -17.826   0.097
  874   2HZ   LYS 113          2HZ       LYS 113  -5.615 -16.343  -0.409
  875   3HZ   LYS 113          3HZ       LYS 113  -6.487 -17.336   0.656
  Start of MODEL    5
    1   1H    MET   1          1HT       MET   1   6.186   2.918 -13.226
    2   2H    MET   1          2HT       MET   1   4.858   1.875 -13.056
    3   3H    MET   1          3HT       MET   1   6.425   1.302 -12.775
    4    HA   MET   1           HA       MET   1   6.651   2.775 -10.892
    5   1HB   MET   1          2HB       MET   1   5.010   4.453 -11.836
    6   2HB   MET   1          1HB       MET   1   3.728   3.385 -11.280
    7   1HG   MET   1          2HG       MET   1   4.186   5.236  -9.734
    8   2HG   MET   1          1HG       MET   1   4.421   3.650  -8.999
    9   1HE   MET   1          1HE       MET   1   6.080   6.910 -10.332
   10   2HE   MET   1          2HE       MET   1   6.751   5.712 -11.441
   11   3HE   MET   1          3HE       MET   1   7.799   6.518 -10.274
   12    H    ARG   2           H        ARG   2   5.611   2.160  -8.692
   13    HA   ARG   2           HA       ARG   2   3.954  -0.201  -8.871
   14   1HB   ARG   2          2HB       ARG   2   5.450  -1.290  -7.127
   15   2HB   ARG   2          1HB       ARG   2   5.976  -1.340  -8.791
   16   1HG   ARG   2          2HG       ARG   2   6.996   0.695  -6.830
   17   2HG   ARG   2          1HG       ARG   2   7.724  -0.900  -7.007
   18   1HD   ARG   2          2HD       ARG   2   7.632  -0.102  -9.590
   19   2HD   ARG   2          1HD       ARG   2   7.831   1.447  -8.782
   20    HE   ARG   2           HE       ARG   2   9.743  -0.765  -8.846
   21   1HH1  ARG   2          1HH1      ARG   2   8.955   2.446  -7.662
   22   2HH1  ARG   2          2HH1      ARG   2  10.607   2.856  -7.305
   23   1HH2  ARG   2          1HH2      ARG   2  11.913  -0.215  -8.381
   24   2HH2  ARG   2          2HH2      ARG   2  12.272   1.347  -7.697
   25    H    ILE   3           H        ILE   3   2.727  -0.618  -7.059
   26    HA   ILE   3           HA       ILE   3   2.769   1.422  -4.951
   27    HB   ILE   3           HB       ILE   3   1.219   2.273  -6.609
   28   1HG1  ILE   3          2HG1      ILE   3  -0.312   1.057  -4.297
   29   2HG1  ILE   3          1HG1      ILE   3   0.620   2.547  -4.223
   30   1HG2  ILE   3          1HG2      ILE   3   0.726   0.220  -7.785
   31   2HG2  ILE   3          2HG2      ILE   3  -0.769   1.014  -7.295
   32   3HG2  ILE   3          3HG2      ILE   3  -0.182  -0.388  -6.401
   33   1HD1  ILE   3          1HD1      ILE   3  -1.733   3.029  -4.438
   34   2HD1  ILE   3          2HD1      ILE   3  -1.823   2.054  -5.906
   35   3HD1  ILE   3          3HD1      ILE   3  -0.876   3.543  -5.892
   36    H    PHE   4           H        PHE   4   1.851   0.751  -2.979
   37    HA   PHE   4           HA       PHE   4   1.684  -2.157  -2.723
   38   1HB   PHE   4          2HB       PHE   4   3.178  -0.854  -1.224
   39   2HB   PHE   4          1HB       PHE   4   1.775  -0.004  -0.594
   40    HD1  PHE   4           HD1      PHE   4   0.430  -0.951   1.106
   41    HD2  PHE   4           HD2      PHE   4   3.424  -3.293  -0.809
   42    HE1  PHE   4           HE1      PHE   4   0.152  -2.695   2.816
   43    HE2  PHE   4           HE2      PHE   4   3.153  -5.039   0.902
   44    HZ   PHE   4           HZ       PHE   4   1.515  -4.742   2.714
   45    H    VAL   5           H        VAL   5  -0.253  -3.030  -2.950
   46    HA   VAL   5           HA       VAL   5  -2.645  -1.556  -2.166
   47    HB   VAL   5           HB       VAL   5  -2.346  -4.250  -3.525
   48   1HG1  VAL   5          1HG1      VAL   5  -4.744  -4.125  -3.983
   49   2HG1  VAL   5          2HG1      VAL   5  -4.848  -2.621  -3.069
   50   3HG1  VAL   5          3HG1      VAL   5  -4.441  -4.125  -2.245
   51   1HG2  VAL   5          1HG2      VAL   5  -3.138  -1.554  -4.607
   52   2HG2  VAL   5          2HG2      VAL   5  -3.136  -3.064  -5.520
   53   3HG2  VAL   5          3HG2      VAL   5  -1.620  -2.394  -4.917
   54    H    TYR   6           H        TYR   6  -4.101  -2.380  -0.650
   55    HA   TYR   6           HA       TYR   6  -3.020  -4.370   1.206
   56   1HB   TYR   6          2HB       TYR   6  -4.286  -2.532   2.848
   57   2HB   TYR   6          1HB       TYR   6  -2.545  -2.701   2.645
   58    HD1  TYR   6           HD1      TYR   6  -5.460  -0.973   1.033
   59    HD2  TYR   6           HD2      TYR   6  -1.323  -0.852   2.022
   60    HE1  TYR   6           HE1      TYR   6  -5.322   1.314   0.143
   61    HE2  TYR   6           HE2      TYR   6  -1.170   1.433   1.132
   62    HH   TYR   6           HH       TYR   6  -2.341   2.875  -0.438
   63    H    GLY   7           H        GLY   7  -4.641  -5.563  -0.149
   64   1HA   GLY   7          2HA       GLY   7  -6.716  -6.606  -0.176
   65   2HA   GLY   7          1HA       GLY   7  -7.233  -5.552   1.137
   66    H    SER   8           H        SER   8  -9.241  -5.402  -0.128
   67    HA   SER   8           HA       SER   8 -10.671  -4.499  -1.638
   68   1HB   SER   8          2HB       SER   8 -10.377  -2.069  -2.052
   69   2HB   SER   8          1HB       SER   8 -10.215  -2.508  -0.356
   70    HG   SER   8           HG       SER   8  -7.802  -2.622  -1.483
   71    H    LEU   9           H        LEU   9  -8.245  -5.914  -2.735
   72    HA   LEU   9           HA       LEU   9  -7.632  -4.733  -5.245
   73   1HB   LEU   9          2HB       LEU   9  -6.510  -6.752  -5.780
   74   2HB   LEU   9          1HB       LEU   9  -6.234  -6.457  -4.078
   75    HG   LEU   9           HG       LEU   9  -8.307  -8.397  -5.103
   76   1HD1  LEU   9          1HD1      LEU   9  -5.494  -8.960  -4.178
   77   2HD1  LEU   9          2HD1      LEU   9  -6.074  -9.071  -5.840
   78   3HD1  LEU   9          3HD1      LEU   9  -6.712 -10.161  -4.609
   79   1HD2  LEU   9          1HD2      LEU   9  -8.136  -9.320  -2.825
   80   2HD2  LEU   9          2HD2      LEU   9  -8.723  -7.658  -2.840
   81   3HD2  LEU   9          3HD2      LEU   9  -7.051  -8.000  -2.389
   82    H    ARG  10           H        ARG  10 -10.447  -5.645  -4.172
   83    HA   ARG  10           HA       ARG  10 -11.621  -7.232  -6.184
   84   1HB   ARG  10          2HB       ARG  10 -12.837  -5.137  -4.367
   85   2HB   ARG  10          1HB       ARG  10 -13.766  -6.250  -5.359
   86   1HG   ARG  10          2HG       ARG  10 -11.816  -7.183  -3.274
   87   2HG   ARG  10          1HG       ARG  10 -13.513  -6.852  -2.920
   88   1HD   ARG  10          2HD       ARG  10 -12.497  -8.812  -4.975
   89   2HD   ARG  10          1HD       ARG  10 -13.100  -9.233  -3.372
   90    HE   ARG  10           HE       ARG  10 -15.271  -8.240  -4.121
   91   1HH1  ARG  10          1HH1      ARG  10 -12.971  -9.526  -6.446
   92   2HH1  ARG  10          2HH1      ARG  10 -14.184  -9.823  -7.660
   93   1HH2  ARG  10          1HH2      ARG  10 -16.859  -8.659  -5.717
   94   2HH2  ARG  10          2HH2      ARG  10 -16.378  -9.333  -7.243
   95    H    HIS  11           H        HIS  11 -11.214  -3.747  -5.786
   96    HA   HIS  11           HA       HIS  11 -12.564  -3.202  -8.299
   97   1HB   HIS  11          2HB       HIS  11 -12.847  -1.718  -6.301
   98   2HB   HIS  11          1HB       HIS  11 -11.154  -1.264  -6.452
   99    HD1  HIS  11           HD1      HIS  11 -10.605   0.585  -8.057
  100    HD2  HIS  11           HD2      HIS  11 -14.484  -0.830  -8.515
  101    HE1  HIS  11           HE1      HIS  11 -11.724   2.187  -9.640
  102    HE2  HIS  11           HE2      HIS  11 -14.116   1.397  -9.784
  103    H    LYS  12           H        LYS  12 -10.959  -4.504  -9.481
  104    HA   LYS  12           HA       LYS  12  -8.336  -3.318  -9.816
  105   1HB   LYS  12          2HB       LYS  12  -8.613  -5.765  -9.781
  106   2HB   LYS  12          1HB       LYS  12  -9.631  -5.672 -11.208
  107   1HG   LYS  12          2HG       LYS  12  -7.807  -4.997 -12.569
  108   2HG   LYS  12          1HG       LYS  12  -6.769  -4.758 -11.164
  109   1HD   LYS  12          2HD       LYS  12  -6.192  -6.830 -12.288
  110   2HD   LYS  12          1HD       LYS  12  -6.867  -7.174 -10.699
  111   1HE   LYS  12          2HE       LYS  12  -8.529  -7.233 -13.207
  112   2HE   LYS  12          1HE       LYS  12  -7.633  -8.640 -12.642
  113   1HZ   LYS  12          1HZ       LYS  12  -9.813  -8.858 -11.814
  114   2HZ   LYS  12          2HZ       LYS  12  -9.879  -7.251 -11.289
  115   3HZ   LYS  12          3HZ       LYS  12  -8.880  -8.359 -10.485
  116    H    GLN  13           H        GLN  13  -9.389  -1.294 -10.457
  117    HA   GLN  13           HA       GLN  13  -9.281  -0.821 -13.236
  118   1HB   GLN  13          2HB       GLN  13 -11.771  -1.809 -12.344
  119   2HB   GLN  13          1HB       GLN  13 -11.996  -0.080 -12.549
  120   1HG   GLN  13          2HG       GLN  13 -10.793  -1.780 -14.705
  121   2HG   GLN  13          1HG       GLN  13 -12.536  -1.607 -14.519
  122   1HE2  GLN  13          1HE2      GLN  13 -10.849  -0.807 -16.744
  123   2HE2  GLN  13          2HE2      GLN  13 -11.085   0.902 -16.936
  124    H    GLY  14           H        GLY  14 -10.835   1.478 -13.369
  125   1HA   GLY  14          2HA       GLY  14 -10.892   3.281 -11.327
  126   2HA   GLY  14          1HA       GLY  14  -9.211   3.301 -11.853
  127    H    ASN  15           H        ASN  15  -9.005   3.342 -14.306
  128    HA   ASN  15           HA       ASN  15 -11.201   4.752 -15.639
  129   1HB   ASN  15          2HB       ASN  15  -8.272   5.524 -15.796
  130   2HB   ASN  15          1HB       ASN  15  -9.501   6.108 -16.911
  131   1HD2  ASN  15          1HD2      ASN  15  -8.073   6.428 -13.822
  132   2HD2  ASN  15          2HD2      ASN  15  -9.027   7.765 -13.273
  133    H    SER  16           H        SER  16  -7.942   3.658 -16.461
  134    HA   SER  16           HA       SER  16  -8.850   1.393 -17.953
  135   1HB   SER  16          2HB       SER  16  -7.938   2.263 -20.147
  136   2HB   SER  16          1HB       SER  16  -9.427   3.043 -19.613
  137    HG   SER  16           HG       SER  16  -7.758   4.515 -20.345
  138    H    HIS  17           H        HIS  17  -6.305   3.750 -17.430
  139    HA   HIS  17           HA       HIS  17  -4.066   2.270 -18.184
  140   1HB   HIS  17          2HB       HIS  17  -4.318   4.420 -16.069
  141   2HB   HIS  17          1HB       HIS  17  -2.799   3.845 -16.745
  142    HD1  HIS  17           HD1      HIS  17  -1.980   5.033 -18.788
  143    HD2  HIS  17           HD2      HIS  17  -6.008   5.743 -18.050
  144    HE1  HIS  17           HE1      HIS  17  -2.687   6.751 -20.477
  145    HE2  HIS  17           HE2      HIS  17  -5.175   6.986 -20.160
  146    H    TRP  18           H        TRP  18  -6.057   1.884 -15.396
  147    HA   TRP  18           HA       TRP  18  -4.021   0.656 -13.794
  148   1HB   TRP  18          2HB       TRP  18  -6.009   1.786 -12.798
  149   2HB   TRP  18          1HB       TRP  18  -7.020   0.491 -13.436
  150    HD1  TRP  18           HD1      TRP  18  -7.133  -1.739 -12.058
  151    HE1  TRP  18           HE1      TRP  18  -6.108  -2.511  -9.824
  152    HE3  TRP  18           HE3      TRP  18  -3.800   2.072 -11.326
  153    HZ2  TRP  18           HZ2      TRP  18  -4.139  -1.628  -8.001
  154    HZ3  TRP  18           HZ3      TRP  18  -2.380   2.028  -9.317
  155    HH2  TRP  18           HH2      TRP  18  -2.548   0.217  -7.690
  156    H    MET  19           H        MET  19  -7.008  -0.675 -15.246
  157    HA   MET  19           HA       MET  19  -6.311  -3.336 -14.635
  158   1HB   MET  19          2HB       MET  19  -8.243  -3.993 -15.901
  159   2HB   MET  19          1HB       MET  19  -8.636  -2.536 -15.001
  160   1HG   MET  19          2HG       MET  19  -8.389  -1.193 -16.992
  161   2HG   MET  19          1HG       MET  19  -7.876  -2.605 -17.914
  162   1HE   MET  19          1HE       MET  19  -9.870  -4.823 -16.688
  163   2HE   MET  19          2HE       MET  19  -9.494  -4.702 -18.406
  164   3HE   MET  19          3HE       MET  19 -11.174  -4.771 -17.873
  165    H    THR  20           H        THR  20  -5.660  -1.348 -17.430
  166    HA   THR  20           HA       THR  20  -4.998  -3.575 -19.135
  167    HB   THR  20           HB       THR  20  -4.422  -0.642 -19.577
  168    HG1  THR  20           HG1      THR  20  -6.766  -2.197 -20.076
  169   1HG2  THR  20          1HG2      THR  20  -3.253  -2.145 -21.116
  170   2HG2  THR  20          2HG2      THR  20  -4.520  -1.251 -21.957
  171   3HG2  THR  20          3HG2      THR  20  -4.775  -2.939 -21.512
  172    H    ASN  21           H        ASN  21  -3.314  -1.471 -16.945
  173    HA   ASN  21           HA       ASN  21  -0.727  -2.292 -18.094
  174   1HB   ASN  21          2HB       ASN  21  -1.375   0.226 -16.543
  175   2HB   ASN  21          1HB       ASN  21   0.181  -0.180 -17.258
  176   1HD2  ASN  21          1HD2      ASN  21   0.513   0.214 -19.378
  177   2HD2  ASN  21          2HD2      ASN  21  -0.627   0.963 -20.429
  178    H    ALA  22           H        ALA  22  -2.511  -3.438 -15.858
  179    HA   ALA  22           HA       ALA  22  -0.806  -3.073 -13.523
  180   1HB   ALA  22          1HB       ALA  22  -3.344  -4.673 -13.800
  181   2HB   ALA  22          2HB       ALA  22  -3.244  -3.001 -13.250
  182   3HB   ALA  22          3HB       ALA  22  -2.504  -4.287 -12.298
  183    H    GLN  23           H        GLN  23   0.855  -4.331 -13.168
  184    HA   GLN  23           HA       GLN  23   0.669  -7.173 -13.934
  185   1HB   GLN  23          2HB       GLN  23   2.529  -6.127 -15.073
  186   2HB   GLN  23          1HB       GLN  23   3.104  -5.414 -13.571
  187   1HG   GLN  23          2HG       GLN  23   3.605  -7.628 -12.691
  188   2HG   GLN  23          1HG       GLN  23   3.000  -8.366 -14.172
  189   1HE2  GLN  23          1HE2      GLN  23   4.991  -9.356 -14.543
  190   2HE2  GLN  23          2HE2      GLN  23   6.360  -8.463 -15.113
  191    H    LEU  24           H        LEU  24   0.637  -8.622 -12.330
  192    HA   LEU  24           HA       LEU  24   0.687  -7.693  -9.603
  193   1HB   LEU  24          2HB       LEU  24  -0.937  -9.370 -10.223
  194   2HB   LEU  24          1HB       LEU  24   0.328 -10.441 -10.793
  195    HG   LEU  24           HG       LEU  24   1.151 -10.720  -8.501
  196   1HD1  LEU  24          1HD1      LEU  24  -1.183  -8.981  -7.718
  197   2HD1  LEU  24          2HD1      LEU  24   0.520  -8.535  -7.615
  198   3HD1  LEU  24          3HD1      LEU  24  -0.113  -9.839  -6.610
  199   1HD2  LEU  24          1HD2      LEU  24  -0.768 -11.971  -7.611
  200   2HD2  LEU  24          2HD2      LEU  24  -0.500 -12.283  -9.327
  201   3HD2  LEU  24          3HD2      LEU  24  -1.804 -11.211  -8.818
  202    H    LEU  25           H        LEU  25   2.625  -7.190  -8.832
  203    HA   LEU  25           HA       LEU  25   5.022  -8.544  -9.537
  204   1HB   LEU  25          2HB       LEU  25   4.393  -6.638  -7.279
  205   2HB   LEU  25          1HB       LEU  25   6.001  -7.235  -7.635
  206    HG   LEU  25           HG       LEU  25   4.314  -5.581  -9.516
  207   1HD1  LEU  25          1HD1      LEU  25   6.705  -4.829  -7.839
  208   2HD1  LEU  25          2HD1      LEU  25   5.049  -4.268  -7.610
  209   3HD1  LEU  25          3HD1      LEU  25   5.945  -3.805  -9.057
  210   1HD2  LEU  25          1HD2      LEU  25   5.827  -7.112 -10.676
  211   2HD2  LEU  25          2HD2      LEU  25   7.179  -6.503  -9.722
  212   3HD2  LEU  25          3HD2      LEU  25   6.350  -5.435 -10.854
  213    H    GLY  26           H        GLY  26   2.947  -8.571  -6.647
  214   1HA   GLY  26          2HA       GLY  26   2.629 -11.129  -6.144
  215   2HA   GLY  26          1HA       GLY  26   4.327 -10.974  -5.711
  216    H    ASP  27           H        ASP  27   2.543 -11.803  -3.817
  217    HA   ASP  27           HA       ASP  27   1.546  -9.668  -2.228
  218   1HB   ASP  27          2HB       ASP  27   2.349 -12.427  -1.308
  219   2HB   ASP  27          1HB       ASP  27   1.365 -11.292  -0.411
  220    H    PHE  28           H        PHE  28   2.363  -8.829  -0.357
  221    HA   PHE  28           HA       PHE  28   4.975  -9.566   0.613
  222   1HB   PHE  28          2HB       PHE  28   5.622  -8.055  -1.176
  223   2HB   PHE  28          1HB       PHE  28   4.501  -6.834  -0.593
  224    HD1  PHE  28           HD1      PHE  28   5.762  -5.027   0.020
  225    HD2  PHE  28           HD2      PHE  28   6.993  -8.909   1.251
  226    HE1  PHE  28           HE1      PHE  28   7.539  -4.022   1.391
  227    HE2  PHE  28           HE2      PHE  28   8.773  -7.913   2.626
  228    HZ   PHE  28           HZ       PHE  28   9.041  -5.462   2.702
  229    H    SER  29           H        SER  29   3.787 -10.075   2.442
  230    HA   SER  29           HA       SER  29   2.246  -8.087   3.819
  231   1HB   SER  29          2HB       SER  29   3.291 -10.729   4.868
  232   2HB   SER  29          1HB       SER  29   1.965  -9.775   5.533
  233    HG   SER  29           HG       SER  29   2.066 -11.280   3.152
  234    H    ILE  30           H        ILE  30   2.924  -6.675   5.339
  235    HA   ILE  30           HA       ILE  30   5.775  -6.830   6.061
  236    HB   ILE  30           HB       ILE  30   5.684  -4.330   6.280
  237   1HG1  ILE  30          2HG1      ILE  30   3.051  -4.732   4.851
  238   2HG1  ILE  30          1HG1      ILE  30   3.287  -3.998   6.432
  239   1HG2  ILE  30          1HG2      ILE  30   6.706  -5.465   4.377
  240   2HG2  ILE  30          2HG2      ILE  30   5.954  -3.944   3.895
  241   3HG2  ILE  30          3HG2      ILE  30   5.150  -5.473   3.544
  242   1HD1  ILE  30          1HD1      ILE  30   2.861  -2.326   4.710
  243   2HD1  ILE  30          2HD1      ILE  30   4.278  -2.883   3.814
  244   3HD1  ILE  30          3HD1      ILE  30   4.473  -2.143   5.403
  245    H    ASP  31           H        ASP  31   6.358  -6.670   8.105
  246    HA   ASP  31           HA       ASP  31   4.300  -6.944  10.103
  247   1HB   ASP  31          2HB       ASP  31   6.210  -7.391  11.615
  248   2HB   ASP  31          1HB       ASP  31   6.235  -8.416  10.188
  249    H    ASN  32           H        ASN  32   4.221  -5.715  12.027
  250    HA   ASN  32           HA       ASN  32   4.248  -3.880  13.343
  251   1HB   ASN  32          2HB       ASN  32   6.774  -3.343  11.794
  252   2HB   ASN  32          1HB       ASN  32   6.178  -2.219  13.010
  253   1HD2  ASN  32          1HD2      ASN  32   7.594  -5.338  12.427
  254   2HD2  ASN  32          2HD2      ASN  32   7.958  -5.700  14.083
  255    H    TYR  33           H        TYR  33   2.722  -3.925  10.858
  256    HA   TYR  33           HA       TYR  33   2.217  -1.029  10.832
  257   1HB   TYR  33          2HB       TYR  33   2.045  -2.867   8.438
  258   2HB   TYR  33          1HB       TYR  33   1.365  -1.258   8.484
  259    HD1  TYR  33           HD1      TYR  33   4.482  -3.188   8.371
  260    HD2  TYR  33           HD2      TYR  33   2.760   0.702   8.349
  261    HE1  TYR  33           HE1      TYR  33   6.620  -2.253   7.605
  262    HE2  TYR  33           HE2      TYR  33   4.899   1.650   7.592
  263    HH   TYR  33           HH       TYR  33   7.454  -0.257   6.430
  264    H    GLN  34           H        GLN  34  -0.091  -0.643   9.930
  265    HA   GLN  34           HA       GLN  34  -1.956  -2.692  10.887
  266   1HB   GLN  34          2HB       GLN  34  -1.780   0.153  11.880
  267   2HB   GLN  34          1HB       GLN  34  -3.208  -0.850  12.098
  268   1HG   GLN  34          2HG       GLN  34  -2.022  -2.386  13.468
  269   2HG   GLN  34          1HG       GLN  34  -0.476  -1.638  13.075
  270   1HE2  GLN  34          1HE2      GLN  34  -1.508   1.063  13.290
  271   2HE2  GLN  34          2HE2      GLN  34  -1.710   1.379  14.978
  272    H    LEU  35           H        LEU  35  -4.171  -2.310  10.194
  273    HA   LEU  35           HA       LEU  35  -4.322  -0.643   7.764
  274   1HB   LEU  35          2HB       LEU  35  -4.117  -3.080   7.306
  275   2HB   LEU  35          1HB       LEU  35  -5.589  -3.348   8.216
  276    HG   LEU  35           HG       LEU  35  -6.790  -1.899   6.551
  277   1HD1  LEU  35          1HD1      LEU  35  -5.712  -1.523   4.391
  278   2HD1  LEU  35          2HD1      LEU  35  -4.203  -2.173   5.028
  279   3HD1  LEU  35          3HD1      LEU  35  -4.869  -0.680   5.689
  280   1HD2  LEU  35          1HD2      LEU  35  -6.885  -3.638   4.834
  281   2HD2  LEU  35          2HD2      LEU  35  -6.907  -4.326   6.458
  282   3HD2  LEU  35          3HD2      LEU  35  -5.428  -4.374   5.499
  283    H    TYR  36           H        TYR  36  -5.976   0.764   7.711
  284    HA   TYR  36           HA       TYR  36  -7.951   0.692   9.857
  285   1HB   TYR  36          2HB       TYR  36  -7.291   2.762   7.766
  286   2HB   TYR  36          1HB       TYR  36  -8.632   2.928   8.894
  287    HD1  TYR  36           HD1      TYR  36  -5.066   3.212   8.428
  288    HD2  TYR  36           HD2      TYR  36  -8.175   3.087  11.329
  289    HE1  TYR  36           HE1      TYR  36  -3.533   4.161  10.093
  290    HE2  TYR  36           HE2      TYR  36  -6.652   4.040  13.011
  291    HH   TYR  36           HH       TYR  36  -4.232   4.210  13.419
  292    H    SER  37           H        SER  37 -10.095   0.431   9.629
  293    HA   SER  37           HA       SER  37 -11.119  -0.149   6.931
  294   1HB   SER  37          2HB       SER  37 -12.091  -1.162   9.613
  295   2HB   SER  37          1HB       SER  37 -12.868  -1.493   8.066
  296    HG   SER  37           HG       SER  37 -10.183  -2.054   8.110
  297    H    LEU  38           H        LEU  38 -12.092   1.640   6.215
  298    HA   LEU  38           HA       LEU  38 -14.097   2.861   7.983
  299   1HB   LEU  38          2HB       LEU  38 -13.833   4.920   6.516
  300   2HB   LEU  38          1HB       LEU  38 -12.552   4.573   7.658
  301    HG   LEU  38           HG       LEU  38 -12.257   3.643   4.832
  302   1HD1  LEU  38          1HD1      LEU  38 -11.228   5.798   4.262
  303   2HD1  LEU  38          2HD1      LEU  38 -11.746   6.450   5.816
  304   3HD1  LEU  38          3HD1      LEU  38 -12.947   5.969   4.617
  305   1HD2  LEU  38          1HD2      LEU  38 -10.308   4.679   6.894
  306   2HD2  LEU  38          2HD2      LEU  38  -9.901   4.010   5.313
  307   3HD2  LEU  38          3HD2      LEU  38 -10.623   2.978   6.548
  308    H    GLY  39           H        GLY  39 -13.825   0.767   5.597
  309   1HA   GLY  39          2HA       GLY  39 -15.614  -0.211   4.460
  310   2HA   GLY  39          1HA       GLY  39 -16.557   1.245   4.742
  311    H    HIS  40           H        HIS  40 -15.193   3.219   3.615
  312    HA   HIS  40           HA       HIS  40 -15.830   2.921   0.901
  313   1HB   HIS  40          2HB       HIS  40 -15.596   5.037   2.423
  314   2HB   HIS  40          1HB       HIS  40 -13.932   5.035   1.853
  315    HD1  HIS  40           HD1      HIS  40 -17.446   5.080   0.409
  316    HD2  HIS  40           HD2      HIS  40 -13.594   6.344  -0.494
  317    HE1  HIS  40           HE1      HIS  40 -17.662   6.469  -1.677
  318    HE2  HIS  40           HE2      HIS  40 -15.360   7.442  -2.024
  319    H    TYR  41           H        TYR  41 -12.675   3.077   2.504
  320    HA   TYR  41           HA       TYR  41 -11.523   1.154   0.784
  321   1HB   TYR  41          2HB       TYR  41  -9.625   2.835   0.050
  322   2HB   TYR  41          1HB       TYR  41 -11.077   2.643  -0.916
  323    HD1  TYR  41           HD1      TYR  41 -10.775   4.626   2.229
  324    HD2  TYR  41           HD2      TYR  41 -11.143   4.701  -2.007
  325    HE1  TYR  41           HE1      TYR  41 -11.172   7.049   2.309
  326    HE2  TYR  41           HE2      TYR  41 -11.543   7.122  -1.934
  327    HH   TYR  41           HH       TYR  41 -10.971   8.999   0.827
  328    HA   PRO  42           HA       PRO  42  -9.007   0.819   4.336
  329   1HB   PRO  42          2HB       PRO  42  -6.804  -0.395   2.943
  330   2HB   PRO  42          1HB       PRO  42  -8.074  -1.179   3.880
  331   1HG   PRO  42          2HG       PRO  42  -7.792  -1.417   1.160
  332   2HG   PRO  42          1HG       PRO  42  -9.318  -1.648   2.030
  333   1HD   PRO  42          2HD       PRO  42  -8.347   0.731   0.499
  334   2HD   PRO  42          1HD       PRO  42  -9.980   0.034   0.587
  335    H    GLY  43           H        GLY  43  -7.406   1.734   5.507
  336   1HA   GLY  43          2HA       GLY  43  -5.380   3.360   4.088
  337   2HA   GLY  43          1HA       GLY  43  -6.094   3.847   5.625
  338    H    ALA  44           H        ALA  44  -3.309   3.596   5.405
  339    HA   ALA  44           HA       ALA  44  -2.797   1.186   6.989
  340   1HB   ALA  44          1HB       ALA  44  -1.246   1.772   4.474
  341   2HB   ALA  44          2HB       ALA  44  -2.486   0.530   4.631
  342   3HB   ALA  44          3HB       ALA  44  -1.002   0.417   5.576
  343    H    VAL  45           H        VAL  45  -1.022   1.300   8.326
  344    HA   VAL  45           HA       VAL  45   0.750   3.600   8.266
  345    HB   VAL  45           HB       VAL  45   0.208   4.370  10.532
  346   1HG1  VAL  45          1HG1      VAL  45  -1.891   5.546  10.045
  347   2HG1  VAL  45          2HG1      VAL  45  -2.157   4.476   8.665
  348   3HG1  VAL  45          3HG1      VAL  45  -0.775   5.573   8.678
  349   1HG2  VAL  45          1HG2      VAL  45  -0.741   2.387  11.491
  350   2HG2  VAL  45          2HG2      VAL  45  -2.093   2.430  10.359
  351   3HG2  VAL  45          3HG2      VAL  45  -1.933   3.684  11.590
  352    HA   PRO  46           HA       PRO  46   3.262   0.726  10.653
  353   1HB   PRO  46          2HB       PRO  46   4.253   2.872  12.378
  354   2HB   PRO  46          1HB       PRO  46   5.126   1.912  11.180
  355   1HG   PRO  46          2HG       PRO  46   4.586   4.529  10.807
  356   2HG   PRO  46          1HG       PRO  46   4.642   3.372   9.464
  357   1HD   PRO  46          2HD       PRO  46   2.259   4.496  10.897
  358   2HD   PRO  46          1HD       PRO  46   2.507   4.242   9.155
  359    H    GLY  47           H        GLY  47   3.441  -0.273  12.730
  360   1HA   GLY  47          2HA       GLY  47   2.445   0.625  15.149
  361   2HA   GLY  47          1HA       GLY  47   1.071  -0.096  14.318
  362    H    ASN  48           H        ASN  48   0.724  -2.139  14.871
  363    HA   ASN  48           HA       ASN  48   2.978  -3.972  15.029
  364   1HB   ASN  48          2HB       ASN  48   2.656  -3.261  17.359
  365   2HB   ASN  48          1HB       ASN  48   0.952  -3.697  17.264
  366   1HD2  ASN  48          1HD2      ASN  48   1.045  -5.229  18.887
  367   2HD2  ASN  48          2HD2      ASN  48   1.876  -6.739  18.694
  368    H    GLY  49           H        GLY  49   2.213  -4.878  13.161
  369   1HA   GLY  49          2HA       GLY  49   0.487  -7.068  13.478
  370   2HA   GLY  49          1HA       GLY  49  -0.387  -5.776  12.662
  371    H    THR  50           H        THR  50   0.060  -8.185  11.390
  372    HA   THR  50           HA       THR  50   2.267  -7.649   9.532
  373    HB   THR  50           HB       THR  50   0.566 -10.140   9.604
  374    HG1  THR  50           HG1      THR  50   1.446 -10.117  11.618
  375   1HG2  THR  50          1HG2      THR  50   1.946  -9.800   7.605
  376   2HG2  THR  50          2HG2      THR  50   2.538 -11.158   8.562
  377   3HG2  THR  50          3HG2      THR  50   3.376  -9.607   8.619
  378    H    VAL  51           H        VAL  51   1.587  -6.276   7.972
  379    HA   VAL  51           HA       VAL  51  -1.182  -6.320   7.133
  380    HB   VAL  51           HB       VAL  51   1.117  -4.553   6.279
  381   1HG1  VAL  51          1HG1      VAL  51  -0.471  -4.797   4.432
  382   2HG1  VAL  51          2HG1      VAL  51  -0.561  -3.183   5.135
  383   3HG1  VAL  51          3HG1      VAL  51  -1.800  -4.378   5.514
  384   1HG2  VAL  51          1HG2      VAL  51  -1.308  -4.059   8.002
  385   2HG2  VAL  51          2HG2      VAL  51  -0.145  -2.829   7.507
  386   3HG2  VAL  51          3HG2      VAL  51   0.365  -4.157   8.549
  387    H    HIS  52           H        HIS  52  -1.728  -7.897   5.871
  388    HA   HIS  52           HA       HIS  52  -0.092  -9.021   3.837
  389   1HB   HIS  52          2HB       HIS  52  -1.728 -10.518   4.515
  390   2HB   HIS  52          1HB       HIS  52  -2.951  -9.266   4.686
  391    HD1  HIS  52           HD1      HIS  52  -1.216 -11.275   1.969
  392    HD2  HIS  52           HD2      HIS  52  -4.679  -9.074   2.621
  393    HE1  HIS  52           HE1      HIS  52  -2.566 -11.506  -0.139
  394    HE2  HIS  52           HE2      HIS  52  -4.444  -9.848   0.152
  395    H    GLY  53           H        GLY  53   0.569  -7.806   2.196
  396   1HA   GLY  53          2HA       GLY  53  -1.413  -6.032   0.926
  397   2HA   GLY  53          1HA       GLY  53   0.274  -5.584   1.123
  398    H    GLU  54           H        GLU  54  -1.434  -5.852  -1.254
  399    HA   GLU  54           HA       GLU  54   0.011  -7.932  -2.739
  400   1HB   GLU  54          2HB       GLU  54  -2.429  -6.322  -3.534
  401   2HB   GLU  54          1HB       GLU  54  -1.699  -7.609  -4.478
  402   1HG   GLU  54          2HG       GLU  54  -3.470  -8.702  -3.519
  403   2HG   GLU  54          1HG       GLU  54  -2.183  -9.065  -2.375
  404    H    VAL  55           H        VAL  55   1.888  -7.125  -3.543
  405    HA   VAL  55           HA       VAL  55   2.089  -4.306  -4.180
  406    HB   VAL  55           HB       VAL  55   4.164  -6.450  -4.667
  407   1HG1  VAL  55          1HG1      VAL  55   4.607  -4.432  -5.922
  408   2HG1  VAL  55          2HG1      VAL  55   5.745  -4.547  -4.577
  409   3HG1  VAL  55          3HG1      VAL  55   4.371  -3.446  -4.478
  410   1HG2  VAL  55          1HG2      VAL  55   3.522  -6.388  -2.310
  411   2HG2  VAL  55          2HG2      VAL  55   3.815  -4.648  -2.273
  412   3HG2  VAL  55          3HG2      VAL  55   5.155  -5.764  -2.545
  413    H    TYR  56           H        TYR  56   1.491  -3.476  -6.031
  414    HA   TYR  56           HA       TYR  56   1.412  -5.218  -8.405
  415   1HB   TYR  56          2HB       TYR  56  -0.540  -3.328  -7.277
  416   2HB   TYR  56          1HB       TYR  56  -0.279  -3.150  -9.008
  417    HD1  TYR  56           HD1      TYR  56  -1.084  -4.765 -10.552
  418    HD2  TYR  56           HD2      TYR  56  -1.413  -5.477  -6.370
  419    HE1  TYR  56           HE1      TYR  56  -2.627  -6.624 -10.998
  420    HE2  TYR  56           HE2      TYR  56  -2.953  -7.346  -6.803
  421    HH   TYR  56           HH       TYR  56  -3.478  -8.611  -9.979
  422    H    ARG  57           H        ARG  57   2.071  -4.431 -10.358
  423    HA   ARG  57           HA       ARG  57   3.546  -1.885 -10.305
  424   1HB   ARG  57          2HB       ARG  57   4.991  -3.748 -10.846
  425   2HB   ARG  57          1HB       ARG  57   3.868  -4.317 -12.074
  426   1HG   ARG  57          2HG       ARG  57   4.266  -2.168 -13.301
  427   2HG   ARG  57          1HG       ARG  57   5.548  -1.825 -12.139
  428   1HD   ARG  57          2HD       ARG  57   6.710  -3.855 -12.799
  429   2HD   ARG  57          1HD       ARG  57   5.409  -4.253 -13.920
  430    HE   ARG  57           HE       ARG  57   6.749  -1.695 -14.320
  431   1HH1  ARG  57          1HH1      ARG  57   6.362  -5.040 -15.299
  432   2HH1  ARG  57          2HH1      ARG  57   7.184  -4.817 -16.820
  433   1HH2  ARG  57          1HH2      ARG  57   7.796  -1.407 -16.326
  434   2HH2  ARG  57          2HH2      ARG  57   7.973  -2.750 -17.413
  435    H    ILE  58           H        ILE  58   2.892  -0.279 -11.567
  436    HA   ILE  58           HA       ILE  58   1.190  -0.829 -13.869
  437    HB   ILE  58           HB       ILE  58  -0.105   1.340 -13.143
  438   1HG1  ILE  58          2HG1      ILE  58  -0.547   1.216 -10.633
  439   2HG1  ILE  58          1HG1      ILE  58   0.913   0.245 -10.522
  440   1HG2  ILE  58          1HG2      ILE  58  -0.670  -1.367 -11.948
  441   2HG2  ILE  58          2HG2      ILE  58  -1.120  -0.826 -13.564
  442   3HG2  ILE  58          3HG2      ILE  58  -1.842  -0.065 -12.146
  443   1HD1  ILE  58          1HD1      ILE  58   2.233   2.075 -11.375
  444   2HD1  ILE  58          2HD1      ILE  58   1.302   2.591  -9.969
  445   3HD1  ILE  58          3HD1      ILE  58   0.780   3.051 -11.590
  446    H    ASP  59           H        ASP  59   1.041   1.111 -15.298
  447    HA   ASP  59           HA       ASP  59   3.497   2.202 -15.940
  448   1HB   ASP  59          2HB       ASP  59   1.951   2.380 -17.639
  449   2HB   ASP  59          1HB       ASP  59   0.669   2.926 -16.560
  450    H    ASN  60           H        ASN  60   4.570   4.125 -15.506
  451    HA   ASN  60           HA       ASN  60   4.479   5.116 -12.901
  452   1HB   ASN  60          2HB       ASN  60   5.587   6.407 -15.416
  453   2HB   ASN  60          1HB       ASN  60   5.835   7.054 -13.800
  454   1HD2  ASN  60          1HD2      ASN  60   7.799   6.172 -15.698
  455   2HD2  ASN  60          2HD2      ASN  60   8.693   4.899 -14.925
  456    H    ALA  61           H        ALA  61   3.144   6.543 -15.896
  457    HA   ALA  61           HA       ALA  61   2.210   8.925 -14.679
  458   1HB   ALA  61          1HB       ALA  61   2.654   8.752 -17.081
  459   2HB   ALA  61          2HB       ALA  61   1.006   9.296 -16.765
  460   3HB   ALA  61          3HB       ALA  61   1.308   7.626 -17.247
  461    H    THR  62           H        THR  62   0.759   5.795 -15.286
  462    HA   THR  62           HA       THR  62  -1.876   6.269 -14.560
  463    HB   THR  62           HB       THR  62  -0.202   3.821 -13.956
  464    HG1  THR  62           HG1      THR  62  -0.345   4.578 -16.220
  465   1HG2  THR  62          1HG2      THR  62  -2.353   2.618 -14.014
  466   2HG2  THR  62          2HG2      THR  62  -3.197   4.157 -14.189
  467   3HG2  THR  62          3HG2      THR  62  -2.299   3.805 -12.712
  468    H    LEU  63           H        LEU  63   0.974   5.821 -12.552
  469    HA   LEU  63           HA       LEU  63  -0.385   5.634 -10.068
  470   1HB   LEU  63          2HB       LEU  63   2.092   5.075 -10.736
  471   2HB   LEU  63          1HB       LEU  63   2.382   6.752 -10.321
  472    HG   LEU  63           HG       LEU  63   2.844   5.013  -8.518
  473   1HD1  LEU  63          1HD1      LEU  63   0.940   7.244  -7.852
  474   2HD1  LEU  63          2HD1      LEU  63   2.691   7.384  -8.017
  475   3HD1  LEU  63          3HD1      LEU  63   2.004   6.406  -6.721
  476   1HD2  LEU  63          1HD2      LEU  63   0.860   3.655  -8.894
  477   2HD2  LEU  63          2HD2      LEU  63  -0.161   4.997  -8.372
  478   3HD2  LEU  63          3HD2      LEU  63   0.942   4.234  -7.229
  479    H    ALA  64           H        ALA  64   1.074   8.264 -11.901
  480    HA   ALA  64           HA       ALA  64   0.438  10.350 -10.102
  481   1HB   ALA  64          1HB       ALA  64   2.090  10.633 -11.863
  482   2HB   ALA  64          2HB       ALA  64   0.820  11.847 -12.010
  483   3HB   ALA  64          3HB       ALA  64   0.840  10.452 -13.091
  484    H    GLU  65           H        GLU  65  -1.439   8.578 -12.426
  485    HA   GLU  65           HA       GLU  65  -3.598  10.454 -12.594
  486   1HB   GLU  65          2HB       GLU  65  -3.340   8.748 -14.312
  487   2HB   GLU  65          1HB       GLU  65  -3.523   7.473 -13.115
  488   1HG   GLU  65          2HG       GLU  65  -5.822   8.102 -12.736
  489   2HG   GLU  65          1HG       GLU  65  -5.655   9.480 -13.818
  490    H    LEU  66           H        LEU  66  -3.034   7.501 -10.726
  491    HA   LEU  66           HA       LEU  66  -5.406   7.653  -9.198
  492   1HB   LEU  66          2HB       LEU  66  -3.963   5.625  -9.534
  493   2HB   LEU  66          1HB       LEU  66  -2.795   6.335  -8.440
  494    HG   LEU  66           HG       LEU  66  -5.598   5.929  -7.476
  495   1HD1  LEU  66          1HD1      LEU  66  -3.505   3.765  -7.652
  496   2HD1  LEU  66          2HD1      LEU  66  -5.026   3.813  -8.543
  497   3HD1  LEU  66          3HD1      LEU  66  -5.037   3.652  -6.786
  498   1HD2  LEU  66          1HD2      LEU  66  -4.433   5.527  -5.356
  499   2HD2  LEU  66          2HD2      LEU  66  -4.003   7.092  -6.049
  500   3HD2  LEU  66          3HD2      LEU  66  -2.882   5.735  -6.173
  501    H    ASP  67           H        ASP  67  -2.173   8.948  -8.784
  502    HA   ASP  67           HA       ASP  67  -2.314   9.932  -6.181
  503   1HB   ASP  67          2HB       ASP  67  -0.240   9.986  -7.409
  504   2HB   ASP  67          1HB       ASP  67  -0.937  11.009  -8.652
  505    H    ALA  68           H        ALA  68  -3.060  11.621  -9.209
  506    HA   ALA  68           HA       ALA  68  -3.994  13.978  -8.012
  507   1HB   ALA  68          1HB       ALA  68  -4.742  12.862 -10.709
  508   2HB   ALA  68          2HB       ALA  68  -3.264  13.758 -10.358
  509   3HB   ALA  68          3HB       ALA  68  -4.835  14.548 -10.195
  510    H    LEU  69           H        LEU  69  -5.518  10.916  -8.561
  511    HA   LEU  69           HA       LEU  69  -8.194  11.953  -8.208
  512   1HB   LEU  69          2HB       LEU  69  -7.026   9.259  -8.744
  513   2HB   LEU  69          1HB       LEU  69  -8.681   9.396  -8.188
  514    HG   LEU  69           HG       LEU  69  -7.582  10.702 -10.675
  515   1HD1  LEU  69          1HD1      LEU  69  -8.871   9.055 -11.897
  516   2HD1  LEU  69          2HD1      LEU  69  -9.403   8.316 -10.387
  517   3HD1  LEU  69          3HD1      LEU  69  -7.701   8.251 -10.849
  518   1HD2  LEU  69          1HD2      LEU  69  -9.962  11.153 -11.143
  519   2HD2  LEU  69          2HD2      LEU  69  -9.385  11.978  -9.694
  520   3HD2  LEU  69          3HD2      LEU  69 -10.370  10.524  -9.545
  521    H    ARG  70           H        ARG  70  -6.073   9.721  -6.357
  522    HA   ARG  70           HA       ARG  70  -8.181   9.417  -4.387
  523   1HB   ARG  70          2HB       ARG  70  -6.685   7.515  -5.251
  524   2HB   ARG  70          1HB       ARG  70  -5.446   8.179  -4.196
  525   1HG   ARG  70          2HG       ARG  70  -6.929   7.926  -2.279
  526   2HG   ARG  70          1HG       ARG  70  -8.158   7.244  -3.332
  527   1HD   ARG  70          2HD       ARG  70  -6.694   5.366  -3.856
  528   2HD   ARG  70          1HD       ARG  70  -5.423   6.069  -2.854
  529    HE   ARG  70           HE       ARG  70  -7.997   5.465  -1.606
  530   1HH1  ARG  70          1HH1      ARG  70  -4.622   4.667  -2.016
  531   2HH1  ARG  70          2HH1      ARG  70  -4.543   3.662  -0.600
  532   1HH2  ARG  70          1HH2      ARG  70  -7.911   4.159   0.272
  533   2HH2  ARG  70          2HH2      ARG  70  -6.427   3.377   0.709
  534    H    THR  71           H        THR  71  -6.203  11.785  -4.802
  535    HA   THR  71           HA       THR  71  -5.654  13.508  -3.370
  536    HB   THR  71           HB       THR  71  -6.728  11.988  -1.437
  537    HG1  THR  71           HG1      THR  71  -6.642  14.203  -1.306
  538   1HG2  THR  71          1HG2      THR  71  -3.860  12.227  -0.550
  539   2HG2  THR  71          2HG2      THR  71  -4.501  10.743  -1.252
  540   3HG2  THR  71          3HG2      THR  71  -5.190  11.374   0.243
  541    H    ARG  72           H        ARG  72  -3.841  14.308  -3.728
  542    HA   ARG  72           HA       ARG  72  -1.443  12.713  -4.039
  543   1HB   ARG  72          2HB       ARG  72  -1.875  14.343  -5.713
  544   2HB   ARG  72          1HB       ARG  72  -2.154  15.601  -4.525
  545   1HG   ARG  72          2HG       ARG  72   0.195  15.602  -3.942
  546   2HG   ARG  72          1HG       ARG  72   0.488  14.278  -5.075
  547   1HD   ARG  72          2HD       ARG  72   0.099  15.609  -6.934
  548   2HD   ARG  72          1HD       ARG  72  -0.782  16.818  -6.003
  549    HE   ARG  72           HE       ARG  72   1.639  17.054  -4.943
  550   1HH1  ARG  72          1HH1      ARG  72   0.704  16.690  -8.292
  551   2HH1  ARG  72          2HH1      ARG  72   1.943  17.751  -8.895
  552   1HH2  ARG  72          1HH2      ARG  72   3.295  18.437  -5.722
  553   2HH2  ARG  72          2HH2      ARG  72   3.415  18.753  -7.429
  554    H    GLY  73           H        GLY  73  -2.893  14.824  -1.741
  555   1HA   GLY  73          2HA       GLY  73  -1.133  14.282   0.325
  556   2HA   GLY  73          1HA       GLY  73  -0.538  15.732  -0.468
  557    H    GLY  74           H        GLY  74  -3.831  14.604   0.202
  558   1HA   GLY  74          2HA       GLY  74  -4.223  16.989   1.889
  559   2HA   GLY  74          1HA       GLY  74  -5.355  16.627   0.593
  560    H    GLU  75           H        GLU  75  -5.935  14.104   0.712
  561    HA   GLU  75           HA       GLU  75  -7.302  13.738   3.224
  562   1HB   GLU  75          2HB       GLU  75  -8.025  13.071   0.783
  563   2HB   GLU  75          1HB       GLU  75  -7.074  11.628   1.099
  564   1HG   GLU  75          2HG       GLU  75  -9.257  11.027   1.637
  565   2HG   GLU  75          1HG       GLU  75  -8.496  11.352   3.195
  566    H    TYR  76           H        TYR  76  -4.544  12.409   1.525
  567    HA   TYR  76           HA       TYR  76  -3.606  11.107   3.975
  568   1HB   TYR  76          2HB       TYR  76  -3.545   9.674   1.308
  569   2HB   TYR  76          1HB       TYR  76  -3.077   9.030   2.874
  570    HD1  TYR  76           HD1      TYR  76  -5.625   9.202   0.457
  571    HD2  TYR  76           HD2      TYR  76  -5.000   8.899   4.653
  572    HE1  TYR  76           HE1      TYR  76  -7.886   8.278   0.716
  573    HE2  TYR  76           HE2      TYR  76  -7.260   7.977   4.928
  574    HH   TYR  76           HH       TYR  76  -9.387   7.970   3.768
  575    H    ALA  77           H        ALA  77  -1.280  10.433   3.702
  576    HA   ALA  77           HA       ALA  77   0.084  11.977   1.587
  577   1HB   ALA  77          1HB       ALA  77   1.187  11.151   4.271
  578   2HB   ALA  77          2HB       ALA  77   0.642  12.772   3.839
  579   3HB   ALA  77          3HB       ALA  77   2.043  12.066   3.032
  580    H    ARG  78           H        ARG  78   1.898  10.954   0.565
  581    HA   ARG  78           HA       ARG  78   1.531   8.075   0.389
  582   1HB   ARG  78          2HB       ARG  78   2.908  10.120  -1.309
  583   2HB   ARG  78          1HB       ARG  78   3.347   8.424  -1.473
  584   1HG   ARG  78          2HG       ARG  78   0.952   7.911  -1.898
  585   2HG   ARG  78          1HG       ARG  78   0.630   9.645  -1.891
  586   1HD   ARG  78          2HD       ARG  78   2.804   8.669  -3.658
  587   2HD   ARG  78          1HD       ARG  78   1.149   8.285  -4.127
  588    HE   ARG  78           HE       ARG  78   0.701  10.588  -4.388
  589   1HH1  ARG  78          1HH1      ARG  78   4.032   9.988  -3.492
  590   2HH1  ARG  78          2HH1      ARG  78   4.595  11.510  -4.086
  591   1HH2  ARG  78          1HH2      ARG  78   1.416  12.546  -5.196
  592   2HH2  ARG  78          2HH2      ARG  78   3.100  12.991  -5.076
  593    H    GLN  79           H        GLN  79   2.766   6.663   1.383
  594    HA   GLN  79           HA       GLN  79   5.396   7.522   2.390
  595   1HB   GLN  79          2HB       GLN  79   3.711   6.533   4.019
  596   2HB   GLN  79          1HB       GLN  79   3.894   5.012   3.154
  597   1HG   GLN  79          2HG       GLN  79   6.357   5.151   3.630
  598   2HG   GLN  79          1HG       GLN  79   6.000   6.510   4.691
  599   1HE2  GLN  79          1HE2      GLN  79   3.445   5.276   5.517
  600   2HE2  GLN  79          2HE2      GLN  79   3.883   4.031   6.629
  601    H    LEU  80           H        LEU  80   7.116   6.840   1.288
  602    HA   LEU  80           HA       LEU  80   6.741   4.728  -0.688
  603   1HB   LEU  80          2HB       LEU  80   7.844   6.855  -1.333
  604   2HB   LEU  80          1HB       LEU  80   9.140   6.491  -0.207
  605    HG   LEU  80           HG       LEU  80   9.684   4.465  -1.498
  606   1HD1  LEU  80          1HD1      LEU  80   8.685   4.153  -3.718
  607   2HD1  LEU  80          2HD1      LEU  80   7.570   5.480  -3.398
  608   3HD1  LEU  80          3HD1      LEU  80   7.487   4.006  -2.432
  609   1HD2  LEU  80          1HD2      LEU  80   9.606   7.003  -3.127
  610   2HD2  LEU  80          2HD2      LEU  80  10.648   5.612  -3.430
  611   3HD2  LEU  80          3HD2      LEU  80  10.850   6.562  -1.955
  612    H    ILE  81           H        ILE  81   7.113   2.716  -0.119
  613    HA   ILE  81           HA       ILE  81   9.186   2.187   1.905
  614    HB   ILE  81           HB       ILE  81   7.998   0.054   2.361
  615   1HG1  ILE  81          2HG1      ILE  81   5.581   1.173   1.007
  616   2HG1  ILE  81          1HG1      ILE  81   6.756   0.309   0.035
  617   1HG2  ILE  81          1HG2      ILE  81   7.679   1.948   3.821
  618   2HG2  ILE  81          2HG2      ILE  81   6.139   1.105   3.625
  619   3HG2  ILE  81          3HG2      ILE  81   6.444   2.607   2.749
  620   1HD1  ILE  81          1HD1      ILE  81   6.487  -1.656   1.470
  621   2HD1  ILE  81          2HD1      ILE  81   4.961  -1.154   0.740
  622   3HD1  ILE  81          3HD1      ILE  81   5.296  -0.778   2.430
  623    H    GLN  82           H        GLN  82  10.534   0.389   1.612
  624    HA   GLN  82           HA       GLN  82  11.089  -0.072  -1.215
  625   1HB   GLN  82          2HB       GLN  82  12.903   0.649   0.294
  626   2HB   GLN  82          1HB       GLN  82  12.667  -0.797   1.263
  627   1HG   GLN  82          2HG       GLN  82  14.575  -1.101  -0.146
  628   2HG   GLN  82          1HG       GLN  82  13.284  -2.167  -0.695
  629   1HE2  GLN  82          1HE2      GLN  82  12.308  -1.794  -2.659
  630   2HE2  GLN  82          2HE2      GLN  82  12.945  -0.693  -3.825
  631    H    THR  83           H        THR  83   9.948  -1.739  -2.081
  632    HA   THR  83           HA       THR  83   9.725  -4.193  -0.476
  633    HB   THR  83           HB       THR  83   7.928  -4.851  -1.784
  634    HG1  THR  83           HG1      THR  83   8.578  -3.060  -3.894
  635   1HG2  THR  83          1HG2      THR  83   6.495  -2.898  -2.212
  636   2HG2  THR  83          2HG2      THR  83   7.901  -1.844  -2.044
  637   3HG2  THR  83          3HG2      THR  83   7.325  -2.773  -0.659
  638    HA   PRO  84           HA       PRO  84  12.807  -6.403  -2.818
  639   1HB   PRO  84          2HB       PRO  84  11.460  -8.692  -3.564
  640   2HB   PRO  84          1HB       PRO  84  12.200  -8.437  -1.981
  641   1HG   PRO  84          2HG       PRO  84   9.344  -8.131  -2.807
  642   2HG   PRO  84          1HG       PRO  84  10.014  -8.809  -1.311
  643   1HD   PRO  84          2HD       PRO  84   8.982  -6.335  -1.394
  644   2HD   PRO  84          1HD       PRO  84  10.392  -6.719  -0.386
  645    H    TYR  85           H        TYR  85   9.774  -5.586  -4.191
  646    HA   TYR  85           HA       TYR  85  10.615  -6.275  -6.914
  647   1HB   TYR  85          2HB       TYR  85   7.975  -5.046  -6.130
  648   2HB   TYR  85          1HB       TYR  85   8.353  -6.006  -7.555
  649    HD1  TYR  85           HD1      TYR  85   7.222  -6.060  -4.133
  650    HD2  TYR  85           HD2      TYR  85   8.734  -8.485  -7.285
  651    HE1  TYR  85           HE1      TYR  85   6.396  -8.066  -2.978
  652    HE2  TYR  85           HE2      TYR  85   7.910 -10.497  -6.137
  653    HH   TYR  85           HH       TYR  85   5.801 -10.318  -3.394
  654    H    GLY  86           H        GLY  86  11.000  -3.816  -4.814
  655   1HA   GLY  86          2HA       GLY  86  12.096  -1.790  -5.750
  656   2HA   GLY  86          1HA       GLY  86  10.743  -1.716  -6.874
  657    H    SER  87           H        SER  87  11.456   0.404  -5.147
  658    HA   SER  87           HA       SER  87   9.946   0.443  -2.779
  659   1HB   SER  87          2HB       SER  87  10.893   2.679  -4.556
  660   2HB   SER  87          1HB       SER  87  10.217   2.918  -2.951
  661    HG   SER  87           HG       SER  87  12.185   2.633  -2.285
  662    H    ALA  88           H        ALA  88   7.836   0.543  -2.465
  663    HA   ALA  88           HA       ALA  88   6.116   1.276  -4.744
  664   1HB   ALA  88          1HB       ALA  88   4.406  -0.155  -3.721
  665   2HB   ALA  88          2HB       ALA  88   5.538  -0.571  -2.432
  666   3HB   ALA  88          3HB       ALA  88   5.879  -1.049  -4.095
  667    H    TRP  89           H        TRP  89   4.295   2.539  -4.376
  668    HA   TRP  89           HA       TRP  89   4.610   4.419  -2.201
  669   1HB   TRP  89          2HB       TRP  89   2.665   4.337  -4.516
  670   2HB   TRP  89          1HB       TRP  89   2.767   5.645  -3.350
  671    HD1  TRP  89           HD1      TRP  89   4.270   4.419  -6.526
  672    HE1  TRP  89           HE1      TRP  89   6.131   6.022  -7.261
  673    HE3  TRP  89           HE3      TRP  89   4.687   7.198  -2.264
  674    HZ2  TRP  89           HZ2      TRP  89   7.598   8.184  -6.187
  675    HZ3  TRP  89           HZ3      TRP  89   6.341   9.018  -2.194
  676    HH2  TRP  89           HH2      TRP  89   7.768   9.501  -4.116
  677    H    MET  90           H        MET  90   3.605   4.224  -0.320
  678    HA   MET  90           HA       MET  90   1.031   2.801  -0.196
  679   1HB   MET  90          2HB       MET  90   3.013   3.548   1.955
  680   2HB   MET  90          1HB       MET  90   1.420   2.888   2.294
  681   1HG   MET  90          2HG       MET  90   2.039   0.867   1.013
  682   2HG   MET  90          1HG       MET  90   3.660   1.534   0.820
  683   1HE   MET  90          1HE       MET  90   0.990   0.193   3.369
  684   2HE   MET  90          2HE       MET  90   1.312   1.820   3.968
  685   3HE   MET  90          3HE       MET  90   1.824   0.417   4.906
  686    H    TYR  91           H        TYR  91  -0.506   3.790   1.496
  687    HA   TYR  91           HA       TYR  91  -0.368   6.722   1.410
  688   1HB   TYR  91          2HB       TYR  91  -2.744   4.963   0.804
  689   2HB   TYR  91          1HB       TYR  91  -2.920   6.657   1.254
  690    HD1  TYR  91           HD1      TYR  91  -1.537   4.368  -1.302
  691    HD2  TYR  91           HD2      TYR  91  -2.489   8.393  -0.310
  692    HE1  TYR  91           HE1      TYR  91  -1.147   5.028  -3.637
  693    HE2  TYR  91           HE2      TYR  91  -2.104   9.065  -2.643
  694    HH   TYR  91           HH       TYR  91  -1.836   6.869  -5.180
  695    H    VAL  92           H        VAL  92  -0.300   7.549   3.369
  696    HA   VAL  92           HA       VAL  92  -1.273   5.906   5.602
  697    HB   VAL  92           HB       VAL  92   0.889   7.975   5.389
  698   1HG1  VAL  92          1HG1      VAL  92  -0.450   7.155   7.974
  699   2HG1  VAL  92          2HG1      VAL  92  -0.471   8.768   7.259
  700   3HG1  VAL  92          3HG1      VAL  92   1.046   8.080   7.839
  701   1HG2  VAL  92          1HG2      VAL  92   2.146   6.284   6.618
  702   2HG2  VAL  92          2HG2      VAL  92   1.430   5.612   5.153
  703   3HG2  VAL  92          3HG2      VAL  92   0.697   5.283   6.728
  704    H    TYR  93           H        TYR  93  -2.737   6.502   6.905
  705    HA   TYR  93           HA       TYR  93  -4.657   8.387   6.365
  706   1HB   TYR  93          2HB       TYR  93  -5.613   7.350   8.105
  707   2HB   TYR  93          1HB       TYR  93  -4.159   6.407   8.242
  708    HD1  TYR  93           HD1      TYR  93  -5.838   9.438   9.586
  709    HD2  TYR  93           HD2      TYR  93  -2.743   6.567  10.102
  710    HE1  TYR  93           HE1      TYR  93  -5.437  10.283  11.860
  711    HE2  TYR  93           HE2      TYR  93  -2.337   7.400  12.376
  712    HH   TYR  93           HH       TYR  93  -4.464   9.390  14.014
  713    H    GLN  94           H        GLN  94  -4.610  10.544   6.391
  714    HA   GLN  94           HA       GLN  94  -2.563  11.834   8.063
  715   1HB   GLN  94          2HB       GLN  94  -2.570  11.868   5.382
  716   2HB   GLN  94          1HB       GLN  94  -3.617  13.251   5.675
  717   1HG   GLN  94          2HG       GLN  94  -1.507  14.188   5.531
  718   2HG   GLN  94          1HG       GLN  94  -1.782  14.055   7.261
  719   1HE2  GLN  94          1HE2      GLN  94  -1.322  11.024   6.938
  720   2HE2  GLN  94          2HE2      GLN  94   0.400  10.901   6.923
  721    H    ARG  95           H        ARG  95  -5.750  11.287   7.913
  722    HA   ARG  95           HA       ARG  95  -6.367  13.789   9.315
  723   1HB   ARG  95          2HB       ARG  95  -8.249  12.403   7.388
  724   2HB   ARG  95          1HB       ARG  95  -8.579  13.875   8.292
  725   1HG   ARG  95          2HG       ARG  95  -6.720  14.976   7.067
  726   2HG   ARG  95          1HG       ARG  95  -6.561  13.518   6.087
  727   1HD   ARG  95          2HD       ARG  95  -7.884  14.984   4.817
  728   2HD   ARG  95          1HD       ARG  95  -9.006  13.813   5.506
  729    HE   ARG  95           HE       ARG  95  -8.665  16.278   7.007
  730   1HH1  ARG  95          1HH1      ARG  95 -10.537  14.491   4.639
  731   2HH1  ARG  95          2HH1      ARG  95 -11.942  15.510   4.808
  732   1HH2  ARG  95          1HH2      ARG  95 -10.512  17.620   7.218
  733   2HH2  ARG  95          2HH2      ARG  95 -11.924  17.285   6.256
  734    HA   PRO  96           HA       PRO  96  -7.577  11.598  12.857
  735   1HB   PRO  96          2HB       PRO  96 -10.305  12.483  12.909
  736   2HB   PRO  96          1HB       PRO  96  -8.948  13.059  13.874
  737   1HG   PRO  96          2HG       PRO  96 -10.106  14.178  11.405
  738   2HG   PRO  96          1HG       PRO  96  -9.187  14.989  12.684
  739   1HD   PRO  96          2HD       PRO  96  -8.123  14.534  10.265
  740   2HD   PRO  96          1HD       PRO  96  -7.142  14.415  11.743
  741    H    VAL  97           H        VAL  97  -7.872   9.500  12.907
  742    HA   VAL  97           HA       VAL  97 -10.087   8.281  11.414
  743    HB   VAL  97           HB       VAL  97  -8.888   6.117  11.903
  744   1HG1  VAL  97          1HG1      VAL  97  -8.699   7.146   9.736
  745   2HG1  VAL  97          2HG1      VAL  97  -7.129   6.487  10.205
  746   3HG1  VAL  97          3HG1      VAL  97  -7.429   8.223  10.316
  747   1HG2  VAL  97          1HG2      VAL  97  -7.590   6.851  13.824
  748   2HG2  VAL  97          2HG2      VAL  97  -6.702   7.990  12.812
  749   3HG2  VAL  97          3HG2      VAL  97  -6.521   6.254  12.554
  750    H    ASP  98           H        ASP  98  -9.927   9.634  14.209
  751    HA   ASP  98           HA       ASP  98 -10.423   7.708  16.175
  752   1HB   ASP  98          2HB       ASP  98 -11.252  10.599  15.941
  753   2HB   ASP  98          1HB       ASP  98 -11.624   9.619  17.350
  754    H    GLY  99           H        GLY  99 -11.849   6.132  15.611
  755   1HA   GLY  99          2HA       GLY  99 -14.305   5.800  16.154
  756   2HA   GLY  99          1HA       GLY  99 -14.576   6.989  14.889
  757    H    LEU 100           H        LEU 100 -12.035   5.512  13.681
  758    HA   LEU 100           HA       LEU 100 -13.641   3.679  12.087
  759   1HB   LEU 100          2HB       LEU 100 -10.744   4.486  11.829
  760   2HB   LEU 100          1HB       LEU 100 -11.625   3.493  10.684
  761    HG   LEU 100           HG       LEU 100 -12.194   6.392  11.314
  762   1HD1  LEU 100          1HD1      LEU 100 -11.397   6.821   9.066
  763   2HD1  LEU 100          2HD1      LEU 100 -11.068   5.104   8.829
  764   3HD1  LEU 100          3HD1      LEU 100 -10.140   6.027  10.015
  765   1HD2  LEU 100          1HD2      LEU 100 -13.804   6.261   9.492
  766   2HD2  LEU 100          2HD2      LEU 100 -14.221   5.136  10.786
  767   3HD2  LEU 100          3HD2      LEU 100 -13.465   4.539   9.308
  768    H    LYS 101           H        LYS 101 -12.663   1.539  11.536
  769    HA   LYS 101           HA       LYS 101 -11.816   0.243  14.002
  770   1HB   LYS 101          2HB       LYS 101 -12.746  -0.847  11.346
  771   2HB   LYS 101          1HB       LYS 101 -12.145  -1.871  12.643
  772   1HG   LYS 101          2HG       LYS 101 -14.550  -0.063  12.769
  773   2HG   LYS 101          1HG       LYS 101 -14.563  -1.823  12.650
  774   1HD   LYS 101          2HD       LYS 101 -13.449  -0.202  14.941
  775   2HD   LYS 101          1HD       LYS 101 -14.970  -1.097  14.948
  776   1HE   LYS 101          2HE       LYS 101 -13.747  -3.190  14.642
  777   2HE   LYS 101          1HE       LYS 101 -12.223  -2.303  14.595
  778   1HZ   LYS 101          1HZ       LYS 101 -12.694  -1.536  16.873
  779   2HZ   LYS 101          2HZ       LYS 101 -12.542  -3.216  16.771
  780   3HZ   LYS 101          3HZ       LYS 101 -14.079  -2.514  16.907
  781    H    LEU 102           H        LEU 102  -9.868  -0.541  14.377
  782    HA   LEU 102           HA       LEU 102  -7.838  -0.200  12.278
  783   1HB   LEU 102          2HB       LEU 102  -7.490   1.117  14.300
  784   2HB   LEU 102          1HB       LEU 102  -7.588  -0.329  15.286
  785    HG   LEU 102           HG       LEU 102  -5.517  -1.168  14.220
  786   1HD1  LEU 102          1HD1      LEU 102  -4.166   0.462  12.926
  787   2HD1  LEU 102          2HD1      LEU 102  -5.586   1.506  12.843
  788   3HD1  LEU 102          3HD1      LEU 102  -5.618  -0.091  12.092
  789   1HD2  LEU 102          1HD2      LEU 102  -5.407   0.071  16.322
  790   2HD2  LEU 102          2HD2      LEU 102  -5.287   1.586  15.427
  791   3HD2  LEU 102          3HD2      LEU 102  -3.994   0.392  15.318
  792    H    ILE 103           H        ILE 103  -7.519  -2.075  11.232
  793    HA   ILE 103           HA       ILE 103  -7.782  -4.608  12.591
  794    HB   ILE 103           HB       ILE 103  -6.842  -4.060   9.768
  795   1HG1  ILE 103          2HG1      ILE 103  -9.576  -4.852  10.798
  796   2HG1  ILE 103          1HG1      ILE 103  -9.146  -3.291  10.102
  797   1HG2  ILE 103          1HG2      ILE 103  -6.105  -6.224  10.631
  798   2HG2  ILE 103          2HG2      ILE 103  -7.329  -6.427   9.377
  799   3HG2  ILE 103          3HG2      ILE 103  -7.766  -6.619  11.074
  800   1HD1  ILE 103          1HD1      ILE 103 -10.340  -4.679   8.506
  801   2HD1  ILE 103          2HD1      ILE 103  -9.115  -5.936   8.662
  802   3HD1  ILE 103          3HD1      ILE 103  -8.689  -4.374   7.963
  803    H    GLU 104           H        GLU 104  -6.191  -4.473  14.127
  804    HA   GLU 104           HA       GLU 104  -3.459  -3.973  13.582
  805   1HB   GLU 104          2HB       GLU 104  -4.743  -5.526  15.839
  806   2HB   GLU 104          1HB       GLU 104  -3.077  -4.959  15.807
  807   1HG   GLU 104          2HG       GLU 104  -3.782  -2.674  15.829
  808   2HG   GLU 104          1HG       GLU 104  -5.469  -3.144  15.634
  809    H    SER 105           H        SER 105  -5.467  -6.515  12.766
  810    HA   SER 105           HA       SER 105  -3.602  -8.670  12.822
  811   1HB   SER 105          2HB       SER 105  -5.965  -8.358  10.960
  812   2HB   SER 105          1HB       SER 105  -5.207  -9.858  11.492
  813    HG   SER 105           HG       SER 105  -7.224  -9.230  12.579
  814    H    GLY 106           H        GLY 106  -4.254  -6.023  10.676
  815   1HA   GLY 106          2HA       GLY 106  -2.816  -5.165   9.066
  816   2HA   GLY 106          1HA       GLY 106  -1.852  -6.628   9.175
  817    H    ASP 107           H        ASP 107  -4.696  -7.970   8.817
  818    HA   ASP 107           HA       ASP 107  -4.401  -8.078   5.900
  819   1HB   ASP 107          2HB       ASP 107  -4.383 -10.157   7.501
  820   2HB   ASP 107          1HB       ASP 107  -6.126  -9.950   7.474
  821    H    TRP 108           H        TRP 108  -6.087  -7.626   4.536
  822    HA   TRP 108           HA       TRP 108  -8.208  -5.991   5.493
  823   1HB   TRP 108          2HB       TRP 108  -7.293  -5.654   3.258
  824   2HB   TRP 108          1HB       TRP 108  -7.767  -7.282   2.788
  825    HD1  TRP 108           HD1      TRP 108 -10.007  -7.461   1.561
  826    HE1  TRP 108           HE1      TRP 108 -12.074  -5.940   1.253
  827    HE3  TRP 108           HE3      TRP 108  -8.708  -3.664   4.731
  828    HZ2  TRP 108           HZ2      TRP 108 -13.014  -3.467   2.233
  829    HZ3  TRP 108           HZ3      TRP 108 -10.244  -1.764   4.993
  830    HH2  TRP 108           HH2      TRP 108 -12.355  -1.669   3.769
  831    H    LEU 109           H        LEU 109  -7.842  -9.374   4.754
  832    HA   LEU 109           HA       LEU 109 -10.684  -9.884   4.807
  833   1HB   LEU 109          2HB       LEU 109  -8.305 -11.743   4.718
  834   2HB   LEU 109          1HB       LEU 109  -9.970 -12.291   4.712
  835    HG   LEU 109           HG       LEU 109  -9.284 -12.369   2.464
  836   1HD1  LEU 109          1HD1      LEU 109 -11.479 -11.379   2.740
  837   2HD1  LEU 109          2HD1      LEU 109 -10.658 -10.706   1.331
  838   3HD1  LEU 109          3HD1      LEU 109 -10.759  -9.772   2.824
  839   1HD2  LEU 109          1HD2      LEU 109  -8.199  -9.574   2.741
  840   2HD2  LEU 109          2HD2      LEU 109  -8.193 -10.554   1.274
  841   3HD2  LEU 109          3HD2      LEU 109  -7.240 -11.052   2.674
  842    H    ASP 110           H        ASP 110  -7.925 -10.214   6.930
  843    HA   ASP 110           HA       ASP 110  -7.685 -10.451   9.161
  844   1HB   ASP 110          2HB       ASP 110  -9.054  -8.495   9.356
  845   2HB   ASP 110          1HB       ASP 110 -10.527  -9.439   9.152
  846    H    ARG 111           H        ARG 111 -11.093 -11.334   9.187
  847    HA   ARG 111           HA       ARG 111 -10.707 -13.753  10.584
  848   1HB   ARG 111          2HB       ARG 111 -13.085 -14.239   9.602
  849   2HB   ARG 111          1HB       ARG 111 -12.881 -12.954  10.783
  850   1HG   ARG 111          2HG       ARG 111 -12.626 -12.205   7.931
  851   2HG   ARG 111          1HG       ARG 111 -14.239 -12.632   8.516
  852   1HD   ARG 111          2HD       ARG 111 -14.273 -10.875  10.052
  853   2HD   ARG 111          1HD       ARG 111 -12.519 -10.691  10.024
  854    HE   ARG 111           HE       ARG 111 -13.656 -10.151   7.476
  855   1HH1  ARG 111          1HH1      ARG 111 -13.293  -8.743  10.668
  856   2HH1  ARG 111          2HH1      ARG 111 -13.238  -7.114  10.068
  857   1HH2  ARG 111          1HH2      ARG 111 -13.560  -7.993   6.706
  858   2HH2  ARG 111          2HH2      ARG 111 -13.384  -6.690   7.840
  859    H    ASP 112           H        ASP 112 -10.900 -12.912   7.210
  860    HA   ASP 112           HA       ASP 112 -10.187 -13.893   5.316
  861   1HB   ASP 112          2HB       ASP 112  -8.133 -14.022   6.788
  862   2HB   ASP 112          1HB       ASP 112  -8.558 -15.701   7.072
  863    H    LYS 113           H        LYS 113 -12.033 -14.826   4.561
  864    HA   LYS 113           HA       LYS 113 -12.373 -17.691   5.126
  865   1HB   LYS 113          2HB       LYS 113 -14.541 -17.421   3.948
  866   2HB   LYS 113          1HB       LYS 113 -14.399 -16.518   5.443
  867   1HG   LYS 113          2HG       LYS 113 -13.834 -14.506   4.030
  868   2HG   LYS 113          1HG       LYS 113 -14.310 -15.470   2.628
  869   1HD   LYS 113          2HD       LYS 113 -16.528 -15.781   3.569
  870   2HD   LYS 113          1HD       LYS 113 -16.060 -14.889   5.017
  871   1HE   LYS 113          2HE       LYS 113 -15.623 -12.905   3.563
  872   2HE   LYS 113          1HE       LYS 113 -16.282 -13.817   2.204
  873   1HZ   LYS 113          1HZ       LYS 113 -18.023 -12.495   3.052
  874   2HZ   LYS 113          2HZ       LYS 113 -17.700 -12.939   4.657
  875   3HZ   LYS 113          3HZ       LYS 113 -18.348 -14.077   3.579
  Start of MODEL    6
    1   1H    MET   1          1HT       MET   1   5.631   4.015 -13.271
    2   2H    MET   1          2HT       MET   1   4.113   3.536 -12.686
    3   3H    MET   1          3HT       MET   1   5.268   2.371 -13.090
    4    HA   MET   1           HA       MET   1   6.713   3.222 -11.350
    5   1HB   MET   1          2HB       MET   1   5.375   5.468 -11.429
    6   2HB   MET   1          1HB       MET   1   4.337   4.674 -10.253
    7   1HG   MET   1          2HG       MET   1   6.136   4.443  -8.710
    8   2HG   MET   1          1HG       MET   1   7.307   4.973  -9.917
    9   1HE   MET   1          1HE       MET   1   6.246   8.740 -10.393
   10   2HE   MET   1          2HE       MET   1   5.624   7.356 -11.293
   11   3HE   MET   1          3HE       MET   1   7.345   7.468 -10.924
   12    H    ARG   2           H        ARG   2   6.202   2.530  -8.919
   13    HA   ARG   2           HA       ARG   2   4.318   0.289  -9.099
   14   1HB   ARG   2          2HB       ARG   2   5.871  -0.877  -7.508
   15   2HB   ARG   2          1HB       ARG   2   6.491  -0.652  -9.129
   16   1HG   ARG   2          2HG       ARG   2   7.151   1.302  -6.972
   17   2HG   ARG   2          1HG       ARG   2   8.013  -0.231  -7.087
   18   1HD   ARG   2          2HD       ARG   2   8.931   0.294  -9.157
   19   2HD   ARG   2          1HD       ARG   2   7.727   1.541  -9.482
   20    HE   ARG   2           HE       ARG   2   9.211   2.291  -7.223
   21   1HH1  ARG   2          1HH1      ARG   2   9.750   1.745 -10.634
   22   2HH1  ARG   2          2HH1      ARG   2  10.865   3.066 -10.814
   23   1HH2  ARG   2          1HH2      ARG   2  10.705   4.012  -7.426
   24   2HH2  ARG   2          2HH2      ARG   2  11.444   4.330  -8.964
   25    H    ILE   3           H        ILE   3   3.140  -0.273  -7.280
   26    HA   ILE   3           HA       ILE   3   3.186   1.616  -5.042
   27    HB   ILE   3           HB       ILE   3   1.612   2.585  -6.606
   28   1HG1  ILE   3          2HG1      ILE   3   0.164   1.213  -4.327
   29   2HG1  ILE   3          1HG1      ILE   3   1.050   2.729  -4.218
   30   1HG2  ILE   3          1HG2      ILE   3  -0.422   1.363  -7.307
   31   2HG2  ILE   3          2HG2      ILE   3   0.245  -0.102  -6.586
   32   3HG2  ILE   3          3HG2      ILE   3   1.066   0.663  -7.946
   33   1HD1  ILE   3          1HD1      ILE   3  -1.434   2.239  -5.840
   34   2HD1  ILE   3          2HD1      ILE   3  -0.540   3.756  -5.770
   35   3HD1  ILE   3          3HD1      ILE   3  -1.330   3.130  -4.323
   36    H    PHE   4           H        PHE   4   2.181   0.845  -3.136
   37    HA   PHE   4           HA       PHE   4   1.960  -2.073  -3.034
   38   1HB   PHE   4          2HB       PHE   4   3.520  -0.952  -1.466
   39   2HB   PHE   4          1HB       PHE   4   2.173  -0.045  -0.791
   40    HD1  PHE   4           HD1      PHE   4   3.573  -3.431  -1.206
   41    HD2  PHE   4           HD2      PHE   4   0.810  -0.965   0.879
   42    HE1  PHE   4           HE1      PHE   4   3.184  -5.242   0.408
   43    HE2  PHE   4           HE2      PHE   4   0.413  -2.771   2.502
   44    HZ   PHE   4           HZ       PHE   4   1.602  -4.914   2.268
   45    H    VAL   5           H        VAL   5  -0.011  -2.893  -3.181
   46    HA   VAL   5           HA       VAL   5  -2.322  -1.286  -2.330
   47    HB   VAL   5           HB       VAL   5  -2.355  -3.841  -3.953
   48   1HG1  VAL   5          1HG1      VAL   5  -4.473  -3.258  -2.900
   49   2HG1  VAL   5          2HG1      VAL   5  -4.567  -3.081  -4.653
   50   3HG1  VAL   5          3HG1      VAL   5  -4.405  -1.654  -3.628
   51   1HG2  VAL   5          1HG2      VAL   5  -2.576  -2.441  -5.947
   52   2HG2  VAL   5          2HG2      VAL   5  -1.031  -2.178  -5.140
   53   3HG2  VAL   5          3HG2      VAL   5  -2.331  -0.999  -4.963
   54    H    TYR   6           H        TYR   6  -4.041  -2.450  -1.134
   55    HA   TYR   6           HA       TYR   6  -3.294  -4.914   0.172
   56   1HB   TYR   6          2HB       TYR   6  -3.867  -3.709   2.456
   57   2HB   TYR   6          1HB       TYR   6  -2.230  -3.721   1.819
   58    HD1  TYR   6           HD1      TYR   6  -1.279  -1.683   0.811
   59    HD2  TYR   6           HD2      TYR   6  -5.131  -1.661   2.619
   60    HE1  TYR   6           HE1      TYR   6  -1.211   0.768   0.904
   61    HE2  TYR   6           HE2      TYR   6  -5.072   0.797   2.714
   62    HH   TYR   6           HH       TYR   6  -3.181   2.596   2.770
   63    H    GLY   7           H        GLY   7  -5.028  -6.127   0.096
   64   1HA   GLY   7          2HA       GLY   7  -7.174  -6.807   0.632
   65   2HA   GLY   7          1HA       GLY   7  -7.525  -5.177   1.192
   66    H    SER   8           H        SER   8  -8.145  -3.589  -0.330
   67    HA   SER   8           HA       SER   8  -9.695  -4.617  -2.512
   68   1HB   SER   8          2HB       SER   8  -9.096  -1.768  -1.690
   69   2HB   SER   8          1HB       SER   8 -10.262  -2.235  -2.928
   70    HG   SER   8           HG       SER   8 -10.550  -3.508  -0.492
   71    H    LEU   9           H        LEU   9  -7.982  -5.622  -3.716
   72    HA   LEU   9           HA       LEU   9  -5.930  -4.022  -4.905
   73   1HB   LEU   9          2HB       LEU   9  -5.180  -5.978  -5.990
   74   2HB   LEU   9          1HB       LEU   9  -5.709  -6.470  -4.395
   75    HG   LEU   9           HG       LEU   9  -7.419  -6.802  -6.861
   76   1HD1  LEU   9          1HD1      LEU   9  -5.568  -8.803  -5.574
   77   2HD1  LEU   9          2HD1      LEU   9  -5.335  -8.035  -7.143
   78   3HD1  LEU   9          3HD1      LEU   9  -6.696  -9.127  -6.890
   79   1HD2  LEU   9          1HD2      LEU   9  -8.540  -8.510  -5.461
   80   2HD2  LEU   9          2HD2      LEU   9  -8.685  -6.881  -4.807
   81   3HD2  LEU   9          3HD2      LEU   9  -7.535  -8.015  -4.098
   82    H    ARG  10           H        ARG  10  -9.189  -4.760  -5.710
   83    HA   ARG  10           HA       ARG  10  -8.877  -4.275  -8.539
   84   1HB   ARG  10          2HB       ARG  10 -11.318  -4.570  -6.792
   85   2HB   ARG  10          1HB       ARG  10 -11.405  -4.258  -8.519
   86   1HG   ARG  10          2HG       ARG  10 -10.173  -6.355  -8.926
   87   2HG   ARG  10          1HG       ARG  10 -10.189  -6.667  -7.188
   88   1HD   ARG  10          2HD       ARG  10 -12.633  -6.315  -8.919
   89   2HD   ARG  10          1HD       ARG  10 -11.983  -7.861  -8.377
   90    HE   ARG  10           HE       ARG  10 -12.377  -6.914  -6.045
   91   1HH1  ARG  10          1HH1      ARG  10 -14.356  -6.115  -8.820
   92   2HH1  ARG  10          2HH1      ARG  10 -15.772  -5.787  -7.879
   93   1HH2  ARG  10          1HH2      ARG  10 -14.245  -6.487  -4.798
   94   2HH2  ARG  10          2HH2      ARG  10 -15.716  -5.998  -5.588
   95    H    HIS  11           H        HIS  11 -10.434  -2.522  -5.854
   96    HA   HIS  11           HA       HIS  11 -11.519  -0.520  -5.838
   97   1HB   HIS  11          2HB       HIS  11 -10.013   1.431  -6.212
   98   2HB   HIS  11          1HB       HIS  11  -9.357   0.212  -5.134
   99    HD1  HIS  11           HD1      HIS  11  -8.817   1.803  -8.476
  100    HD2  HIS  11           HD2      HIS  11  -7.023  -1.049  -6.048
  101    HE1  HIS  11           HE1      HIS  11  -6.540   1.417  -9.463
  102    HE2  HIS  11           HE2      HIS  11  -5.595  -0.498  -8.130
  103    H    LYS  12           H        LYS  12 -13.064  -1.053  -7.358
  104    HA   LYS  12           HA       LYS  12 -14.296  -0.936  -9.236
  105   1HB   LYS  12          2HB       LYS  12 -13.913   1.509  -9.141
  106   2HB   LYS  12          1HB       LYS  12 -12.457   1.297 -10.105
  107   1HG   LYS  12          2HG       LYS  12 -13.864   0.347 -11.920
  108   2HG   LYS  12          1HG       LYS  12 -15.290   0.731 -10.957
  109   1HD   LYS  12          2HD       LYS  12 -13.244   2.741 -11.888
  110   2HD   LYS  12          1HD       LYS  12 -14.785   2.428 -12.687
  111   1HE   LYS  12          2HE       LYS  12 -15.969   3.091 -10.645
  112   2HE   LYS  12          1HE       LYS  12 -14.424   3.421  -9.862
  113   1HZ   LYS  12          1HZ       LYS  12 -13.991   5.091 -11.588
  114   2HZ   LYS  12          2HZ       LYS  12 -15.371   5.453 -10.679
  115   3HZ   LYS  12          3HZ       LYS  12 -15.532   4.816 -12.241
  116    H    GLN  13           H        GLN  13 -11.552   0.130 -11.059
  117    HA   GLN  13           HA       GLN  13 -10.374  -0.809 -12.704
  118   1HB   GLN  13          2HB       GLN  13  -9.405  -2.238 -11.089
  119   2HB   GLN  13          1HB       GLN  13 -10.828  -3.256 -11.032
  120   1HG   GLN  13          2HG       GLN  13  -9.158  -3.013 -13.508
  121   2HG   GLN  13          1HG       GLN  13  -8.740  -4.129 -12.212
  122   1HE2  GLN  13          1HE2      GLN  13 -11.583  -4.637 -11.604
  123   2HE2  GLN  13          2HE2      GLN  13 -12.153  -5.658 -12.861
  124    H    GLY  14           H        GLY  14 -10.631  -1.616 -14.776
  125   1HA   GLY  14          2HA       GLY  14 -12.091  -3.267 -16.080
  126   2HA   GLY  14          1HA       GLY  14 -13.418  -2.343 -15.393
  127    H    ASN  15           H        ASN  15 -11.465   0.041 -15.675
  128    HA   ASN  15           HA       ASN  15 -11.413   0.376 -18.552
  129   1HB   ASN  15          2HB       ASN  15 -12.566   2.631 -18.370
  130   2HB   ASN  15          1HB       ASN  15 -13.593   1.213 -18.244
  131   1HD2  ASN  15          1HD2      ASN  15 -15.186   2.379 -17.217
  132   2HD2  ASN  15          2HD2      ASN  15 -15.059   2.869 -15.563
  133    H    SER  16           H        SER  16 -10.571   1.527 -15.359
  134    HA   SER  16           HA       SER  16  -8.725   3.499 -16.104
  135   1HB   SER  16          2HB       SER  16  -8.301   1.677 -13.746
  136   2HB   SER  16          1HB       SER  16  -7.996   3.410 -13.881
  137    HG   SER  16           HG       SER  16 -10.093   3.828 -13.587
  138    H    HIS  17           H        HIS  17  -6.326   3.288 -15.913
  139    HA   HIS  17           HA       HIS  17  -5.300   1.433 -17.754
  140   1HB   HIS  17          2HB       HIS  17  -3.826   2.994 -15.621
  141   2HB   HIS  17          1HB       HIS  17  -3.071   2.180 -16.982
  142    HD1  HIS  17           HD1      HIS  17  -4.944   5.267 -16.043
  143    HD2  HIS  17           HD2      HIS  17  -3.364   3.476 -19.461
  144    HE1  HIS  17           HE1      HIS  17  -4.944   7.052 -17.817
  145    HE2  HIS  17           HE2      HIS  17  -3.742   6.015 -19.778
  146    H    TRP  18           H        TRP  18  -6.040   1.121 -14.471
  147    HA   TRP  18           HA       TRP  18  -4.148  -0.657 -13.483
  148   1HB   TRP  18          2HB       TRP  18  -5.955   0.633 -12.242
  149   2HB   TRP  18          1HB       TRP  18  -7.071  -0.638 -12.732
  150    HD1  TRP  18           HD1      TRP  18  -7.222  -2.674 -11.157
  151    HE1  TRP  18           HE1      TRP  18  -5.882  -3.520  -9.123
  152    HE3  TRP  18           HE3      TRP  18  -3.326   0.631 -11.326
  153    HZ2  TRP  18           HZ2      TRP  18  -3.481  -2.868  -7.779
  154    HZ3  TRP  18           HZ3      TRP  18  -1.550   0.451  -9.635
  155    HH2  TRP  18           HH2      TRP  18  -1.626  -1.262  -7.900
  156    H    MET  19           H        MET  19  -6.854  -1.236 -15.613
  157    HA   MET  19           HA       MET  19  -6.905  -4.079 -15.114
  158   1HB   MET  19          2HB       MET  19  -8.959  -2.896 -15.727
  159   2HB   MET  19          1HB       MET  19  -8.246  -2.430 -17.266
  160   1HG   MET  19          2HG       MET  19  -8.072  -4.830 -17.857
  161   2HG   MET  19          1HG       MET  19  -8.916  -5.223 -16.360
  162   1HE   MET  19          1HE       MET  19 -10.771  -2.872 -19.866
  163   2HE   MET  19          2HE       MET  19  -9.149  -3.566 -19.890
  164   3HE   MET  19          3HE       MET  19  -9.513  -2.208 -18.824
  165    H    THR  20           H        THR  20  -5.384  -1.921 -17.396
  166    HA   THR  20           HA       THR  20  -4.911  -4.075 -19.289
  167    HB   THR  20           HB       THR  20  -4.158  -1.159 -19.530
  168    HG1  THR  20           HG1      THR  20  -6.495  -2.589 -20.361
  169   1HG2  THR  20          1HG2      THR  20  -2.948  -2.673 -21.055
  170   2HG2  THR  20          2HG2      THR  20  -4.066  -1.624 -21.927
  171   3HG2  THR  20          3HG2      THR  20  -4.490  -3.309 -21.631
  172    H    ASN  21           H        ASN  21  -2.941  -1.691 -17.480
  173    HA   ASN  21           HA       ASN  21  -0.551  -3.044 -18.503
  174   1HB   ASN  21          2HB       ASN  21  -0.884  -0.339 -17.199
  175   2HB   ASN  21          1HB       ASN  21   0.651  -1.002 -17.745
  176   1HD2  ASN  21          1HD2      ASN  21  -0.742   1.411 -18.591
  177   2HD2  ASN  21          2HD2      ASN  21  -0.985   1.242 -20.300
  178    H    ALA  22           H        ALA  22  -2.348  -3.617 -15.968
  179    HA   ALA  22           HA       ALA  22  -0.637  -3.280 -13.735
  180   1HB   ALA  22          1HB       ALA  22  -2.866  -5.278 -14.095
  181   2HB   ALA  22          2HB       ALA  22  -3.057  -3.623 -13.516
  182   3HB   ALA  22          3HB       ALA  22  -2.131  -4.788 -12.569
  183    H    GLN  23           H        GLN  23   1.230  -4.179 -13.472
  184    HA   GLN  23           HA       GLN  23   1.624  -6.977 -14.284
  185   1HB   GLN  23          2HB       GLN  23   3.271  -5.333 -15.164
  186   2HB   GLN  23          1HB       GLN  23   3.682  -4.892 -13.513
  187   1HG   GLN  23          2HG       GLN  23   4.406  -7.237 -13.133
  188   2HG   GLN  23          1HG       GLN  23   4.131  -7.552 -14.845
  189   1HE2  GLN  23          1HE2      GLN  23   6.593  -7.747 -13.345
  190   2HE2  GLN  23          2HE2      GLN  23   7.707  -6.653 -14.097
  191    H    LEU  24           H        LEU  24   1.455  -8.430 -12.707
  192    HA   LEU  24           HA       LEU  24   1.363  -7.544  -9.953
  193   1HB   LEU  24          2HB       LEU  24  -0.242  -9.214 -10.703
  194   2HB   LEU  24          1HB       LEU  24   1.060 -10.294 -11.166
  195    HG   LEU  24           HG       LEU  24   1.734 -10.496  -8.807
  196   1HD1  LEU  24          1HD1      LEU  24  -0.690  -8.786  -8.261
  197   2HD1  LEU  24          2HD1      LEU  24   0.994  -8.324  -8.007
  198   3HD1  LEU  24          3HD1      LEU  24   0.280  -9.618  -7.045
  199   1HD2  LEU  24          1HD2      LEU  24   0.170 -12.098  -9.771
  200   2HD2  LEU  24          2HD2      LEU  24  -1.184 -11.074  -9.291
  201   3HD2  LEU  24          3HD2      LEU  24  -0.165 -11.824  -8.061
  202    H    LEU  25           H        LEU  25   3.309  -6.973  -9.276
  203    HA   LEU  25           HA       LEU  25   5.733  -8.293  -9.864
  204   1HB   LEU  25          2HB       LEU  25   4.962  -6.462  -7.587
  205   2HB   LEU  25          1HB       LEU  25   6.599  -6.974  -7.922
  206    HG   LEU  25           HG       LEU  25   4.865  -5.318  -9.755
  207   1HD1  LEU  25          1HD1      LEU  25   6.453  -3.530  -9.264
  208   2HD1  LEU  25          2HD1      LEU  25   7.287  -4.581  -8.119
  209   3HD1  LEU  25          3HD1      LEU  25   5.625  -4.077  -7.805
  210   1HD2  LEU  25          1HD2      LEU  25   6.373  -6.767 -11.010
  211   2HD2  LEU  25          2HD2      LEU  25   7.737  -6.197 -10.050
  212   3HD2  LEU  25          3HD2      LEU  25   6.884  -5.083 -11.118
  213    H    GLY  26           H        GLY  26   3.494  -8.439  -7.138
  214   1HA   GLY  26          2HA       GLY  26   3.338 -11.053  -6.688
  215   2HA   GLY  26          1HA       GLY  26   4.915 -10.703  -5.989
  216    H    ASP  27           H        ASP  27   2.491 -11.644  -4.650
  217    HA   ASP  27           HA       ASP  27   1.447  -9.497  -3.096
  218   1HB   ASP  27          2HB       ASP  27   1.636 -12.330  -2.110
  219   2HB   ASP  27          1HB       ASP  27   0.434 -11.118  -1.709
  220    H    PHE  28           H        PHE  28   2.035  -8.836  -1.064
  221    HA   PHE  28           HA       PHE  28   4.434  -9.865   0.179
  222   1HB   PHE  28          2HB       PHE  28   5.425  -8.486  -1.537
  223   2HB   PHE  28          1HB       PHE  28   4.361  -7.147  -1.141
  224    HD1  PHE  28           HD1      PHE  28   6.455  -9.323   1.058
  225    HD2  PHE  28           HD2      PHE  28   5.686  -5.422  -0.462
  226    HE1  PHE  28           HE1      PHE  28   8.165  -8.400   2.568
  227    HE2  PHE  28           HE2      PHE  28   7.391  -4.494   1.044
  228    HZ   PHE  28           HZ       PHE  28   8.625  -5.977   2.568
  229    H    SER  29           H        SER  29   3.870  -9.926   2.232
  230    HA   SER  29           HA       SER  29   2.087  -7.860   3.293
  231   1HB   SER  29          2HB       SER  29   2.885 -10.508   4.533
  232   2HB   SER  29          1HB       SER  29   1.604  -9.425   5.083
  233    HG   SER  29           HG       SER  29   1.355 -10.084   2.449
  234    H    ILE  30           H        ILE  30   2.753  -6.454   4.854
  235    HA   ILE  30           HA       ILE  30   5.580  -6.700   5.639
  236    HB   ILE  30           HB       ILE  30   5.683  -4.255   5.762
  237   1HG1  ILE  30          2HG1      ILE  30   2.871  -4.382   4.655
  238   2HG1  ILE  30          1HG1      ILE  30   3.364  -3.696   6.201
  239   1HG2  ILE  30          1HG2      ILE  30   5.656  -3.834   3.354
  240   2HG2  ILE  30          2HG2      ILE  30   4.723  -5.312   3.108
  241   3HG2  ILE  30          3HG2      ILE  30   6.371  -5.401   3.733
  242   1HD1  ILE  30          1HD1      ILE  30   4.187  -2.659   3.497
  243   2HD1  ILE  30          2HD1      ILE  30   4.581  -1.945   5.060
  244   3HD1  ILE  30          3HD1      ILE  30   2.906  -1.986   4.507
  245    H    ASP  31           H        ASP  31   6.184  -6.263   7.710
  246    HA   ASP  31           HA       ASP  31   4.001  -6.500   9.649
  247   1HB   ASP  31          2HB       ASP  31   5.845  -8.190   9.618
  248   2HB   ASP  31          1HB       ASP  31   6.975  -6.912  10.043
  249    H    ASN  32           H        ASN  32   4.194  -5.335  11.676
  250    HA   ASN  32           HA       ASN  32   4.440  -3.495  12.976
  251   1HB   ASN  32          2HB       ASN  32   6.645  -2.715  11.060
  252   2HB   ASN  32          1HB       ASN  32   6.271  -1.875  12.559
  253   1HD2  ASN  32          1HD2      ASN  32   7.694  -4.656  11.117
  254   2HD2  ASN  32          2HD2      ASN  32   8.409  -5.306  12.552
  255    H    TYR  33           H        TYR  33   2.674  -3.637  10.597
  256    HA   TYR  33           HA       TYR  33   2.039  -0.767  10.632
  257   1HB   TYR  33          2HB       TYR  33   1.906  -2.550   8.196
  258   2HB   TYR  33          1HB       TYR  33   1.157  -0.969   8.297
  259    HD1  TYR  33           HD1      TYR  33   2.488   1.051   8.254
  260    HD2  TYR  33           HD2      TYR  33   4.335  -2.771   8.018
  261    HE1  TYR  33           HE1      TYR  33   4.566   2.112   7.489
  262    HE2  TYR  33           HE2      TYR  33   6.419  -1.722   7.252
  263    HH   TYR  33           HH       TYR  33   7.192   0.312   6.219
  264    H    GLN  34           H        GLN  34  -0.116  -0.268  10.795
  265    HA   GLN  34           HA       GLN  34  -1.908  -2.570  11.197
  266   1HB   GLN  34          2HB       GLN  34  -1.700   0.033  12.691
  267   2HB   GLN  34          1HB       GLN  34  -3.161  -0.948  12.751
  268   1HG   GLN  34          2HG       GLN  34  -1.969  -2.783  13.708
  269   2HG   GLN  34          1HG       GLN  34  -0.424  -1.969  13.464
  270   1HE2  GLN  34          1HE2      GLN  34  -3.329  -2.095  15.367
  271   2HE2  GLN  34          2HE2      GLN  34  -2.751  -1.114  16.669
  272    H    LEU  35           H        LEU  35  -4.077  -2.350  10.558
  273    HA   LEU  35           HA       LEU  35  -4.332  -0.531   8.268
  274   1HB   LEU  35          2HB       LEU  35  -4.457  -3.123   8.124
  275   2HB   LEU  35          1HB       LEU  35  -6.061  -2.929   8.798
  276    HG   LEU  35           HG       LEU  35  -6.593  -1.419   6.841
  277   1HD1  LEU  35          1HD1      LEU  35  -4.005  -2.563   5.808
  278   2HD1  LEU  35          2HD1      LEU  35  -4.305  -0.871   6.212
  279   3HD1  LEU  35          3HD1      LEU  35  -5.169  -1.626   4.870
  280   1HD2  LEU  35          1HD2      LEU  35  -6.959  -3.262   5.300
  281   2HD2  LEU  35          2HD2      LEU  35  -7.326  -3.763   6.951
  282   3HD2  LEU  35          3HD2      LEU  35  -5.812  -4.259   6.195
  283    H    TYR  36           H        TYR  36  -6.005   0.894   8.134
  284    HA   TYR  36           HA       TYR  36  -8.001   0.909  10.298
  285   1HB   TYR  36          2HB       TYR  36  -7.185   3.111   8.389
  286   2HB   TYR  36          1HB       TYR  36  -8.472   3.243   9.579
  287    HD1  TYR  36           HD1      TYR  36  -5.168   4.028   8.923
  288    HD2  TYR  36           HD2      TYR  36  -7.653   2.613  12.069
  289    HE1  TYR  36           HE1      TYR  36  -3.544   4.859  10.562
  290    HE2  TYR  36           HE2      TYR  36  -6.033   3.440  13.727
  291    HH   TYR  36           HH       TYR  36  -3.708   4.044  13.899
  292    H    SER  37           H        SER  37 -10.103   0.601   9.808
  293    HA   SER  37           HA       SER  37 -10.795   0.456   6.958
  294   1HB   SER  37          2HB       SER  37 -12.583  -1.166   7.658
  295   2HB   SER  37          1HB       SER  37 -10.940  -1.756   7.897
  296    HG   SER  37           HG       SER  37 -11.198  -0.985  10.129
  297    H    LEU  38           H        LEU  38 -12.226   1.876   6.277
  298    HA   LEU  38           HA       LEU  38 -14.324   2.729   8.131
  299   1HB   LEU  38          2HB       LEU  38 -14.291   4.998   7.066
  300   2HB   LEU  38          1HB       LEU  38 -12.922   4.633   8.094
  301    HG   LEU  38           HG       LEU  38 -12.724   4.324   5.109
  302   1HD1  LEU  38          1HD1      LEU  38 -13.556   6.586   5.581
  303   2HD1  LEU  38          2HD1      LEU  38 -11.891   6.606   4.999
  304   3HD1  LEU  38          3HD1      LEU  38 -12.228   6.828   6.715
  305   1HD2  LEU  38          1HD2      LEU  38 -10.361   4.734   5.539
  306   2HD2  LEU  38          2HD2      LEU  38 -10.936   3.379   6.513
  307   3HD2  LEU  38          3HD2      LEU  38 -10.696   4.961   7.256
  308    H    GLY  39           H        GLY  39 -13.821   0.848   5.793
  309   1HA   GLY  39          2HA       GLY  39 -15.464  -0.218   4.546
  310   2HA   GLY  39          1HA       GLY  39 -16.511   1.170   4.775
  311    H    HIS  40           H        HIS  40 -15.346   3.236   3.690
  312    HA   HIS  40           HA       HIS  40 -15.432   2.487   0.882
  313   1HB   HIS  40          2HB       HIS  40 -16.625   4.503   2.179
  314   2HB   HIS  40          1HB       HIS  40 -15.149   5.330   1.692
  315    HD1  HIS  40           HD1      HIS  40 -18.354   4.033   0.417
  316    HD2  HIS  40           HD2      HIS  40 -14.828   5.595  -1.144
  317    HE1  HIS  40           HE1      HIS  40 -18.866   4.598  -1.983
  318    HE2  HIS  40           HE2      HIS  40 -16.771   5.694  -2.857
  319    H    TYR  41           H        TYR  41 -13.038   2.728   3.077
  320    HA   TYR  41           HA       TYR  41 -10.981   3.090   1.077
  321   1HB   TYR  41          2HB       TYR  41 -10.863   4.858   3.527
  322   2HB   TYR  41          1HB       TYR  41  -9.781   4.864   2.148
  323    HD1  TYR  41           HD1      TYR  41 -10.463   5.969   0.042
  324    HD2  TYR  41           HD2      TYR  41 -12.927   6.035   3.510
  325    HE1  TYR  41           HE1      TYR  41 -11.741   7.850  -0.902
  326    HE2  TYR  41           HE2      TYR  41 -14.210   7.898   2.582
  327    HH   TYR  41           HH       TYR  41 -13.924   9.699   0.973
  328    HA   PRO  42           HA       PRO  42  -8.977   0.654   4.298
  329   1HB   PRO  42          2HB       PRO  42  -7.064  -0.379   2.602
  330   2HB   PRO  42          1HB       PRO  42  -8.659  -1.088   2.856
  331   1HG   PRO  42          2HG       PRO  42  -7.621   0.175   0.485
  332   2HG   PRO  42          1HG       PRO  42  -9.195  -0.598   0.718
  333   1HD   PRO  42          2HD       PRO  42  -8.489   2.260   0.770
  334   2HD   PRO  42          1HD       PRO  42 -10.074   1.494   0.533
  335    H    GLY  43           H        GLY  43  -7.625   1.693   5.659
  336   1HA   GLY  43          2HA       GLY  43  -5.450   3.329   4.484
  337   2HA   GLY  43          1HA       GLY  43  -6.250   3.707   6.005
  338    H    ALA  44           H        ALA  44  -3.397   3.345   5.616
  339    HA   ALA  44           HA       ALA  44  -2.994   1.215   7.568
  340   1HB   ALA  44          1HB       ALA  44  -1.154   0.227   6.303
  341   2HB   ALA  44          2HB       ALA  44  -1.454   1.352   4.977
  342   3HB   ALA  44          3HB       ALA  44  -2.662   0.137   5.392
  343    H    VAL  45           H        VAL  45  -1.147   1.486   8.852
  344    HA   VAL  45           HA       VAL  45   0.589   3.786   8.388
  345    HB   VAL  45           HB       VAL  45   0.230   4.719  10.638
  346   1HG1  VAL  45          1HG1      VAL  45  -0.951   5.728   8.765
  347   2HG1  VAL  45          2HG1      VAL  45  -1.890   5.837  10.252
  348   3HG1  VAL  45          3HG1      VAL  45  -2.312   4.636   9.028
  349   1HG2  VAL  45          1HG2      VAL  45  -2.074   2.786  10.806
  350   2HG2  VAL  45          2HG2      VAL  45  -1.721   4.065  11.967
  351   3HG2  VAL  45          3HG2      VAL  45  -0.588   2.730  11.756
  352    HA   PRO  46           HA       PRO  46   3.565   1.323  10.646
  353   1HB   PRO  46          2HB       PRO  46   4.288   3.713  12.220
  354   2HB   PRO  46          1HB       PRO  46   5.294   2.716  11.167
  355   1HG   PRO  46          2HG       PRO  46   4.533   5.175  10.441
  356   2HG   PRO  46          1HG       PRO  46   4.658   3.856   9.260
  357   1HD   PRO  46          2HD       PRO  46   2.222   5.010  10.564
  358   2HD   PRO  46          1HD       PRO  46   2.460   4.490   8.882
  359    H    GLY  47           H        GLY  47   3.453   0.070  12.413
  360   1HA   GLY  47          2HA       GLY  47   2.747   0.912  14.997
  361   2HA   GLY  47          1HA       GLY  47   1.312   0.265  14.214
  362    H    ASN  48           H        ASN  48   0.951  -1.765  14.753
  363    HA   ASN  48           HA       ASN  48   3.153  -3.666  14.687
  364   1HB   ASN  48          2HB       ASN  48   1.629  -2.928  17.111
  365   2HB   ASN  48          1HB       ASN  48   1.844  -4.653  16.840
  366   1HD2  ASN  48          1HD2      ASN  48   4.409  -4.398  15.531
  367   2HD2  ASN  48          2HD2      ASN  48   5.551  -3.983  16.768
  368    H    GLY  49           H        GLY  49   2.299  -4.509  12.862
  369   1HA   GLY  49          2HA       GLY  49   0.497  -6.637  13.155
  370   2HA   GLY  49          1HA       GLY  49  -0.355  -5.283  12.421
  371    H    THR  50           H        THR  50  -0.087  -7.588  10.968
  372    HA   THR  50           HA       THR  50   2.034  -6.902   9.043
  373    HB   THR  50           HB       THR  50   0.736  -9.608   9.413
  374    HG1  THR  50           HG1      THR  50   2.953  -8.372  10.613
  375   1HG2  THR  50          1HG2      THR  50   2.601 -10.408   8.039
  376   2HG2  THR  50          2HG2      THR  50   3.193  -8.754   7.871
  377   3HG2  THR  50          3HG2      THR  50   1.641  -9.212   7.168
  378    H    VAL  51           H        VAL  51   1.242  -5.883   7.342
  379    HA   VAL  51           HA       VAL  51  -1.591  -6.063   6.733
  380    HB   VAL  51           HB       VAL  51   0.558  -4.372   5.438
  381   1HG1  VAL  51          1HG1      VAL  51  -2.443  -4.214   5.210
  382   2HG1  VAL  51          2HG1      VAL  51  -1.323  -4.726   3.946
  383   3HG1  VAL  51          3HG1      VAL  51  -1.292  -3.061   4.530
  384   1HG2  VAL  51          1HG2      VAL  51  -0.358  -2.541   6.754
  385   2HG2  VAL  51          2HG2      VAL  51   0.232  -3.838   7.792
  386   3HG2  VAL  51          3HG2      VAL  51  -1.499  -3.648   7.517
  387    H    HIS  52           H        HIS  52  -2.382  -7.480   5.362
  388    HA   HIS  52           HA       HIS  52  -0.695  -8.960   3.553
  389   1HB   HIS  52          2HB       HIS  52  -3.708  -8.964   3.893
  390   2HB   HIS  52          1HB       HIS  52  -2.795 -10.103   2.920
  391    HD1  HIS  52           HD1      HIS  52  -1.752 -12.091   4.101
  392    HD2  HIS  52           HD2      HIS  52  -3.406  -9.300   6.705
  393    HE1  HIS  52           HE1      HIS  52  -1.771 -13.197   6.361
  394    HE2  HIS  52           HE2      HIS  52  -2.967 -11.567   7.867
  395    H    GLY  53           H        GLY  53   0.065  -7.651   1.910
  396   1HA   GLY  53          2HA       GLY  53  -2.017  -6.389   0.247
  397   2HA   GLY  53          1HA       GLY  53  -0.541  -5.533   0.661
  398    H    GLU  54           H        GLU  54  -1.121  -5.670  -1.889
  399    HA   GLU  54           HA       GLU  54   0.682  -7.722  -2.990
  400   1HB   GLU  54          2HB       GLU  54  -1.644  -6.366  -4.373
  401   2HB   GLU  54          1HB       GLU  54  -0.556  -7.528  -5.110
  402   1HG   GLU  54          2HG       GLU  54  -2.499  -8.719  -4.638
  403   2HG   GLU  54          1HG       GLU  54  -1.371  -9.178  -3.368
  404    H    VAL  55           H        VAL  55   2.416  -6.975  -4.106
  405    HA   VAL  55           HA       VAL  55   2.650  -4.086  -4.475
  406    HB   VAL  55           HB       VAL  55   4.723  -6.210  -5.067
  407   1HG1  VAL  55          1HG1      VAL  55   6.308  -4.332  -4.926
  408   2HG1  VAL  55          2HG1      VAL  55   4.955  -3.220  -4.720
  409   3HG1  VAL  55          3HG1      VAL  55   5.136  -4.118  -6.227
  410   1HG2  VAL  55          1HG2      VAL  55   4.353  -4.538  -2.585
  411   2HG2  VAL  55          2HG2      VAL  55   5.725  -5.595  -2.916
  412   3HG2  VAL  55          3HG2      VAL  55   4.112  -6.280  -2.719
  413    H    TYR  56           H        TYR  56   2.140  -3.150  -6.345
  414    HA   TYR  56           HA       TYR  56   2.021  -4.866  -8.739
  415   1HB   TYR  56          2HB       TYR  56   0.124  -2.816  -7.692
  416   2HB   TYR  56          1HB       TYR  56   0.291  -2.971  -9.435
  417    HD1  TYR  56           HD1      TYR  56  -0.323  -5.077 -10.551
  418    HD2  TYR  56           HD2      TYR  56  -1.038  -4.469  -6.403
  419    HE1  TYR  56           HE1      TYR  56  -1.916  -6.940 -10.564
  420    HE2  TYR  56           HE2      TYR  56  -2.638  -6.339  -6.400
  421    HH   TYR  56           HH       TYR  56  -4.065  -7.541  -7.998
  422    H    ARG  57           H        ARG  57   2.357  -3.870 -10.764
  423    HA   ARG  57           HA       ARG  57   3.838  -1.329 -10.698
  424   1HB   ARG  57          2HB       ARG  57   5.418  -3.170 -10.991
  425   2HB   ARG  57          1HB       ARG  57   4.458  -3.812 -12.316
  426   1HG   ARG  57          2HG       ARG  57   5.473  -1.036 -12.583
  427   2HG   ARG  57          1HG       ARG  57   6.634  -2.356 -12.713
  428   1HD   ARG  57          2HD       ARG  57   5.311  -3.375 -14.482
  429   2HD   ARG  57          1HD       ARG  57   4.099  -2.109 -14.327
  430    HE   ARG  57           HE       ARG  57   6.280  -0.672 -14.885
  431   1HH1  ARG  57          1HH1      ARG  57   5.070  -3.618 -16.347
  432   2HH1  ARG  57          2HH1      ARG  57   5.635  -3.220 -17.942
  433   1HH2  ARG  57          1HH2      ARG  57   7.034  -0.145 -16.991
  434   2HH2  ARG  57          2HH2      ARG  57   6.757  -1.249 -18.299
  435    H    ILE  58           H        ILE  58   2.905   0.161 -11.919
  436    HA   ILE  58           HA       ILE  58   1.560  -0.631 -14.400
  437    HB   ILE  58           HB       ILE  58  -0.026   1.412 -13.784
  438   1HG1  ILE  58          2HG1      ILE  58  -0.743   1.129 -11.363
  439   2HG1  ILE  58          1HG1      ILE  58   0.763   0.259 -11.103
  440   1HG2  ILE  58          1HG2      ILE  58  -1.708  -0.214 -13.049
  441   2HG2  ILE  58          2HG2      ILE  58  -0.435  -1.415 -12.822
  442   3HG2  ILE  58          3HG2      ILE  58  -0.779  -0.784 -14.435
  443   1HD1  ILE  58          1HD1      ILE  58   0.510   3.118 -12.005
  444   2HD1  ILE  58          2HD1      ILE  58   2.019   2.244 -11.744
  445   3HD1  ILE  58          3HD1      ILE  58   0.940   2.564 -10.386
  446    H    ASP  59           H        ASP  59   0.907   1.730 -15.481
  447    HA   ASP  59           HA       ASP  59   3.231   2.957 -16.351
  448   1HB   ASP  59          2HB       ASP  59   0.612   4.423 -16.009
  449   2HB   ASP  59          1HB       ASP  59   1.871   4.753 -17.188
  450    H    ASN  60           H        ASN  60   4.282   4.963 -15.807
  451    HA   ASN  60           HA       ASN  60   4.387   5.589 -13.034
  452   1HB   ASN  60          2HB       ASN  60   5.726   7.557 -13.692
  453   2HB   ASN  60          1HB       ASN  60   6.294   6.093 -14.481
  454   1HD2  ASN  60          1HD2      ASN  60   6.436   9.028 -15.129
  455   2HD2  ASN  60          2HD2      ASN  60   5.899   9.117 -16.767
  456    H    ALA  61           H        ALA  61   2.702   6.978 -15.807
  457    HA   ALA  61           HA       ALA  61   1.544   9.192 -14.492
  458   1HB   ALA  61          1HB       ALA  61   0.540   7.687 -16.905
  459   2HB   ALA  61          2HB       ALA  61   1.700   9.016 -16.930
  460   3HB   ALA  61          3HB       ALA  61   0.041   9.304 -16.406
  461    H    THR  62           H        THR  62   0.352   5.910 -15.105
  462    HA   THR  62           HA       THR  62  -2.174   6.129 -13.973
  463    HB   THR  62           HB       THR  62  -0.337   3.729 -13.963
  464    HG1  THR  62           HG1      THR  62  -1.049   3.390 -15.982
  465   1HG2  THR  62          1HG2      THR  62  -2.223   3.469 -12.406
  466   2HG2  THR  62          2HG2      THR  62  -2.383   2.403 -13.802
  467   3HG2  THR  62          3HG2      THR  62  -3.346   3.878 -13.706
  468    H    LEU  63           H        LEU  63   0.951   5.801 -12.435
  469    HA   LEU  63           HA       LEU  63   0.032   5.201  -9.826
  470   1HB   LEU  63          2HB       LEU  63   2.418   5.074 -10.776
  471   2HB   LEU  63          1HB       LEU  63   2.503   6.798 -10.491
  472    HG   LEU  63           HG       LEU  63   3.560   5.308  -8.739
  473   1HD1  LEU  63          1HD1      LEU  63   3.063   7.637  -8.283
  474   2HD1  LEU  63          2HD1      LEU  63   2.775   6.642  -6.857
  475   3HD1  LEU  63          3HD1      LEU  63   1.413   7.212  -7.823
  476   1HD2  LEU  63          1HD2      LEU  63   1.846   3.590  -8.681
  477   2HD2  LEU  63          2HD2      LEU  63   0.676   4.759  -8.065
  478   3HD2  LEU  63          3HD2      LEU  63   2.072   4.306  -7.084
  479    H    ALA  64           H        ALA  64   0.916   8.238 -11.439
  480    HA   ALA  64           HA       ALA  64   0.009   9.965  -9.391
  481   1HB   ALA  64          1HB       ALA  64   0.113  11.723 -11.071
  482   2HB   ALA  64          2HB       ALA  64   0.252  10.513 -12.347
  483   3HB   ALA  64          3HB       ALA  64   1.543  10.695 -11.157
  484    H    GLU  65           H        GLU  65  -1.653   8.153 -11.805
  485    HA   GLU  65           HA       GLU  65  -4.063   9.684 -11.836
  486   1HB   GLU  65          2HB       GLU  65  -3.554   8.206 -13.685
  487   2HB   GLU  65          1HB       GLU  65  -3.486   6.818 -12.611
  488   1HG   GLU  65          2HG       GLU  65  -5.830   6.854 -12.270
  489   2HG   GLU  65          1HG       GLU  65  -5.985   8.437 -13.035
  490    H    LEU  66           H        LEU  66  -3.098   6.669 -10.221
  491    HA   LEU  66           HA       LEU  66  -5.432   6.404  -8.655
  492   1HB   LEU  66          2HB       LEU  66  -3.641   4.656  -9.121
  493   2HB   LEU  66          1HB       LEU  66  -2.664   5.453  -7.906
  494    HG   LEU  66           HG       LEU  66  -5.407   4.436  -7.215
  495   1HD1  LEU  66          1HD1      LEU  66  -4.387   2.323  -6.522
  496   2HD1  LEU  66          2HD1      LEU  66  -2.849   2.834  -7.218
  497   3HD1  LEU  66          3HD1      LEU  66  -4.245   2.566  -8.262
  498   1HD2  LEU  66          1HD2      LEU  66  -4.298   5.866  -5.586
  499   2HD2  LEU  66          2HD2      LEU  66  -2.870   4.834  -5.626
  500   3HD2  LEU  66          3HD2      LEU  66  -4.392   4.209  -4.988
  501    H    ASP  67           H        ASP  67  -2.379   8.064  -8.181
  502    HA   ASP  67           HA       ASP  67  -2.652   8.928  -5.547
  503   1HB   ASP  67          2HB       ASP  67  -0.599   9.249  -6.817
  504   2HB   ASP  67          1HB       ASP  67  -1.418  10.345  -7.917
  505    H    ALA  68           H        ALA  68  -3.604  10.586  -8.531
  506    HA   ALA  68           HA       ALA  68  -4.716  12.852  -7.309
  507   1HB   ALA  68          1HB       ALA  68  -4.017  12.687  -9.674
  508   2HB   ALA  68          2HB       ALA  68  -5.637  13.357  -9.469
  509   3HB   ALA  68          3HB       ALA  68  -5.431  11.682  -9.990
  510    H    LEU  69           H        LEU  69  -6.034   9.701  -7.980
  511    HA   LEU  69           HA       LEU  69  -8.756  10.480  -7.528
  512   1HB   LEU  69          2HB       LEU  69  -7.325   7.905  -7.996
  513   2HB   LEU  69          1HB       LEU  69  -8.943   7.859  -7.323
  514    HG   LEU  69           HG       LEU  69  -8.194   9.163  -9.942
  515   1HD1  LEU  69          1HD1      LEU  69  -9.662   6.582  -9.407
  516   2HD1  LEU  69          2HD1      LEU  69  -8.003   6.709  -9.995
  517   3HD1  LEU  69          3HD1      LEU  69  -9.339   7.297 -10.987
  518   1HD2  LEU  69          1HD2      LEU  69 -10.077  10.246  -8.869
  519   2HD2  LEU  69          2HD2      LEU  69 -10.855   8.687  -8.610
  520   3HD2  LEU  69          3HD2      LEU  69 -10.635   9.297 -10.249
  521    H    ARG  70           H        ARG  70  -6.279   8.772  -5.648
  522    HA   ARG  70           HA       ARG  70  -8.158   8.320  -3.519
  523   1HB   ARG  70          2HB       ARG  70  -6.565   6.581  -3.952
  524   2HB   ARG  70          1HB       ARG  70  -5.218   7.696  -3.773
  525   1HG   ARG  70          2HG       ARG  70  -5.681   7.939  -1.414
  526   2HG   ARG  70          1HG       ARG  70  -7.119   6.930  -1.567
  527   1HD   ARG  70          2HD       ARG  70  -5.789   5.007  -2.102
  528   2HD   ARG  70          1HD       ARG  70  -4.325   5.987  -2.195
  529    HE   ARG  70           HE       ARG  70  -4.505   6.319   0.205
  530   1HH1  ARG  70          1HH1      ARG  70  -6.442   3.746  -1.158
  531   2HH1  ARG  70          2HH1      ARG  70  -6.545   2.867   0.332
  532   1HH2  ARG  70          1HH2      ARG  70  -4.639   5.147   2.164
  533   2HH2  ARG  70          2HH2      ARG  70  -5.546   3.667   2.214
  534    H    THR  71           H        THR  71  -5.220  10.323  -3.916
  535    HA   THR  71           HA       THR  71  -5.830  11.446  -1.263
  536    HB   THR  71           HB       THR  71  -3.608  10.313  -1.502
  537    HG1  THR  71           HG1      THR  71  -2.434  12.211  -0.614
  538   1HG2  THR  71          1HG2      THR  71  -1.809  11.495  -2.664
  539   2HG2  THR  71          2HG2      THR  71  -2.975  12.666  -3.281
  540   3HG2  THR  71          3HG2      THR  71  -3.067  10.979  -3.787
  541    H    ARG  72           H        ARG  72  -5.229  12.232  -4.603
  542    HA   ARG  72           HA       ARG  72  -5.392  14.107  -5.834
  543   1HB   ARG  72          2HB       ARG  72  -7.723  13.777  -5.114
  544   2HB   ARG  72          1HB       ARG  72  -7.437  14.835  -3.742
  545   1HG   ARG  72          2HG       ARG  72  -8.612  15.958  -5.555
  546   2HG   ARG  72          1HG       ARG  72  -7.054  16.711  -5.223
  547   1HD   ARG  72          2HD       ARG  72  -6.080  15.582  -7.141
  548   2HD   ARG  72          1HD       ARG  72  -7.601  14.740  -7.441
  549    HE   ARG  72           HE       ARG  72  -8.507  17.149  -7.680
  550   1HH1  ARG  72          1HH1      ARG  72  -5.336  16.049  -8.721
  551   2HH1  ARG  72          2HH1      ARG  72  -5.200  17.247  -9.973
  552   1HH2  ARG  72          1HH2      ARG  72  -8.332  18.696  -9.325
  553   2HH2  ARG  72          2HH2      ARG  72  -6.929  18.724 -10.354
  554    H    GLY  73           H        GLY  73  -6.208  15.923  -2.928
  555   1HA   GLY  73          2HA       GLY  73  -4.028  17.759  -3.583
  556   2HA   GLY  73          1HA       GLY  73  -5.390  18.098  -2.524
  557    H    GLY  74           H        GLY  74  -3.638  15.138  -2.171
  558   1HA   GLY  74          2HA       GLY  74  -2.044  14.462  -0.642
  559   2HA   GLY  74          1HA       GLY  74  -1.800  16.147  -0.204
  560    H    GLU  75           H        GLU  75  -4.802  14.267  -0.148
  561    HA   GLU  75           HA       GLU  75  -5.442  15.062   2.506
  562   1HB   GLU  75          2HB       GLU  75  -7.142  14.402   0.796
  563   2HB   GLU  75          1HB       GLU  75  -6.580  12.744   0.917
  564   1HG   GLU  75          2HG       GLU  75  -7.305  12.602   3.198
  565   2HG   GLU  75          1HG       GLU  75  -7.714  14.317   3.215
  566    H    TYR  76           H        TYR  76  -3.781  12.370   1.079
  567    HA   TYR  76           HA       TYR  76  -3.225  11.303   3.773
  568   1HB   TYR  76          2HB       TYR  76  -3.096   9.706   1.207
  569   2HB   TYR  76          1HB       TYR  76  -3.051   9.097   2.859
  570    HD1  TYR  76           HD1      TYR  76  -4.999   8.973   0.148
  571    HD2  TYR  76           HD2      TYR  76  -5.285  10.275   4.187
  572    HE1  TYR  76           HE1      TYR  76  -7.435   8.665   0.071
  573    HE2  TYR  76           HE2      TYR  76  -7.721   9.968   4.119
  574    HH   TYR  76           HH       TYR  76  -9.518   9.973   2.218
  575    H    ALA  77           H        ALA  77  -1.048  10.341   3.980
  576    HA   ALA  77           HA       ALA  77   0.887  11.894   2.408
  577   1HB   ALA  77          1HB       ALA  77   1.290  10.468   5.035
  578   2HB   ALA  77          2HB       ALA  77   0.954  12.188   4.847
  579   3HB   ALA  77          3HB       ALA  77   2.456  11.511   4.218
  580    H    ARG  78           H        ARG  78   2.083  10.920   0.928
  581    HA   ARG  78           HA       ARG  78   1.992   8.048   0.649
  582   1HB   ARG  78          2HB       ARG  78   3.399   8.415  -1.358
  583   2HB   ARG  78          1HB       ARG  78   1.936   9.389  -1.371
  584   1HG   ARG  78          2HG       ARG  78   3.134  11.362  -0.836
  585   2HG   ARG  78          1HG       ARG  78   4.601  10.452  -0.479
  586   1HD   ARG  78          2HD       ARG  78   4.766  11.537  -2.644
  587   2HD   ARG  78          1HD       ARG  78   4.757   9.787  -2.828
  588    HE   ARG  78           HE       ARG  78   2.133  10.653  -3.113
  589   1HH1  ARG  78          1HH1      ARG  78   5.201  11.097  -4.746
  590   2HH1  ARG  78          2HH1      ARG  78   4.482  11.289  -6.311
  591   1HH2  ARG  78          1HH2      ARG  78   1.171  10.930  -5.165
  592   2HH2  ARG  78          2HH2      ARG  78   2.192  11.192  -6.550
  593    H    GLN  79           H        GLN  79   3.244   6.684   1.499
  594    HA   GLN  79           HA       GLN  79   5.863   7.506   2.538
  595   1HB   GLN  79          2HB       GLN  79   3.756   5.836   3.507
  596   2HB   GLN  79          1HB       GLN  79   5.162   4.836   3.222
  597   1HG   GLN  79          2HG       GLN  79   6.474   6.482   4.607
  598   2HG   GLN  79          1HG       GLN  79   4.930   7.214   5.032
  599   1HE2  GLN  79          1HE2      GLN  79   3.623   4.539   4.938
  600   2HE2  GLN  79          2HE2      GLN  79   4.073   3.773   6.419
  601    H    LEU  80           H        LEU  80   7.709   6.346   1.871
  602    HA   LEU  80           HA       LEU  80   7.220   4.584  -0.430
  603   1HB   LEU  80          2HB       LEU  80   8.494   6.648  -0.935
  604   2HB   LEU  80          1HB       LEU  80   9.734   6.125   0.193
  605    HG   LEU  80           HG       LEU  80  10.158   4.138  -1.184
  606   1HD1  LEU  80          1HD1      LEU  80   7.958   3.832  -2.148
  607   2HD1  LEU  80          2HD1      LEU  80   9.163   3.989  -3.426
  608   3HD1  LEU  80          3HD1      LEU  80   8.108   5.349  -3.036
  609   1HD2  LEU  80          1HD2      LEU  80  11.226   5.262  -3.046
  610   2HD2  LEU  80          2HD2      LEU  80  11.418   6.221  -1.577
  611   3HD2  LEU  80          3HD2      LEU  80  10.223   6.689  -2.789
  612    H    ILE  81           H        ILE  81   7.427   2.537   0.018
  613    HA   ILE  81           HA       ILE  81   9.263   1.751   2.176
  614    HB   ILE  81           HB       ILE  81   7.862  -0.296   2.382
  615   1HG1  ILE  81          2HG1      ILE  81   5.911   1.190   0.610
  616   2HG1  ILE  81          1HG1      ILE  81   6.915  -0.135   0.039
  617   1HG2  ILE  81          1HG2      ILE  81   6.491   2.368   2.730
  618   2HG2  ILE  81          2HG2      ILE  81   7.551   1.568   3.890
  619   3HG2  ILE  81          3HG2      ILE  81   5.979   0.866   3.502
  620   1HD1  ILE  81          1HD1      ILE  81   5.841  -1.631   1.639
  621   2HD1  ILE  81          2HD1      ILE  81   4.670  -0.885   0.552
  622   3HD1  ILE  81          3HD1      ILE  81   4.836  -0.298   2.207
  623    H    GLN  82           H        GLN  82  10.680   0.070   1.849
  624    HA   GLN  82           HA       GLN  82  11.319  -0.330  -0.965
  625   1HB   GLN  82          2HB       GLN  82  12.927  -0.945   1.520
  626   2HB   GLN  82          1HB       GLN  82  13.494  -1.158  -0.131
  627   1HG   GLN  82          2HG       GLN  82  12.859   1.404   1.298
  628   2HG   GLN  82          1HG       GLN  82  14.401   0.881   0.618
  629   1HE2  GLN  82          1HE2      GLN  82  11.251   2.153  -0.061
  630   2HE2  GLN  82          2HE2      GLN  82  11.547   2.599  -1.701
  631    H    THR  83           H        THR  83  10.202  -1.945  -1.818
  632    HA   THR  83           HA       THR  83   9.925  -4.433  -0.295
  633    HB   THR  83           HB       THR  83   8.038  -4.910  -1.536
  634    HG1  THR  83           HG1      THR  83   8.777  -3.197  -3.679
  635   1HG2  THR  83          1HG2      THR  83   6.762  -2.848  -1.961
  636   2HG2  THR  83          2HG2      THR  83   8.252  -1.904  -1.837
  637   3HG2  THR  83          3HG2      THR  83   7.631  -2.769  -0.428
  638    HA   PRO  84           HA       PRO  84  12.955  -6.615  -2.705
  639   1HB   PRO  84          2HB       PRO  84  10.957  -8.750  -3.191
  640   2HB   PRO  84          1HB       PRO  84  12.544  -8.849  -2.420
  641   1HG   PRO  84          2HG       PRO  84  10.306  -9.001  -0.976
  642   2HG   PRO  84          1HG       PRO  84  11.736  -8.149  -0.365
  643   1HD   PRO  84          2HD       PRO  84   9.221  -7.031  -1.546
  644   2HD   PRO  84          1HD       PRO  84  10.179  -6.444  -0.170
  645    H    TYR  85           H        TYR  85   9.841  -5.894  -3.981
  646    HA   TYR  85           HA       TYR  85  10.618  -6.653  -6.700
  647   1HB   TYR  85          2HB       TYR  85   7.930  -5.692  -5.702
  648   2HB   TYR  85          1HB       TYR  85   8.278  -6.431  -7.263
  649    HD1  TYR  85           HD1      TYR  85   7.283  -7.025  -3.893
  650    HD2  TYR  85           HD2      TYR  85   9.169  -8.846  -7.242
  651    HE1  TYR  85           HE1      TYR  85   6.836  -9.244  -2.930
  652    HE2  TYR  85           HE2      TYR  85   8.723 -11.070  -6.291
  653    HH   TYR  85           HH       TYR  85   8.319 -12.077  -4.073
  654    H    GLY  86           H        GLY  86  10.841  -4.034  -4.719
  655   1HA   GLY  86          2HA       GLY  86  11.957  -2.153  -6.063
  656   2HA   GLY  86          1HA       GLY  86  10.408  -2.090  -6.891
  657    H    SER  87           H        SER  87  11.538   0.103  -5.522
  658    HA   SER  87           HA       SER  87  10.394   0.434  -2.956
  659   1HB   SER  87          2HB       SER  87  10.848   2.844  -3.350
  660   2HB   SER  87          1HB       SER  87  12.244   1.821  -3.670
  661    HG   SER  87           HG       SER  87  11.932   2.060  -5.848
  662    H    ALA  88           H        ALA  88   8.271   0.324  -2.594
  663    HA   ALA  88           HA       ALA  88   6.450   1.240  -4.717
  664   1HB   ALA  88          1HB       ALA  88   6.212  -1.113  -4.139
  665   2HB   ALA  88          2HB       ALA  88   4.764  -0.211  -3.694
  666   3HB   ALA  88          3HB       ALA  88   5.923  -0.686  -2.452
  667    H    TRP  89           H        TRP  89   4.745   2.604  -4.266
  668    HA   TRP  89           HA       TRP  89   5.108   4.287  -1.943
  669   1HB   TRP  89          2HB       TRP  89   3.129   4.421  -4.228
  670   2HB   TRP  89          1HB       TRP  89   3.253   5.622  -2.952
  671    HD1  TRP  89           HD1      TRP  89   4.638   4.750  -6.268
  672    HE1  TRP  89           HE1      TRP  89   6.545   6.364  -6.860
  673    HE3  TRP  89           HE3      TRP  89   5.324   6.936  -1.699
  674    HZ2  TRP  89           HZ2      TRP  89   8.148   8.297  -5.573
  675    HZ3  TRP  89           HZ3      TRP  89   7.065   8.656  -1.462
  676    HH2  TRP  89           HH2      TRP  89   8.449   9.321  -3.360
  677    H    MET  90           H        MET  90   4.095   4.063  -0.091
  678    HA   MET  90           HA       MET  90   1.565   2.543   0.029
  679   1HB   MET  90          2HB       MET  90   3.501   1.540   1.240
  680   2HB   MET  90          1HB       MET  90   3.613   2.997   2.214
  681   1HG   MET  90          2HG       MET  90   1.335   2.566   3.053
  682   2HG   MET  90          1HG       MET  90   1.321   1.055   2.143
  683   1HE   MET  90          1HE       MET  90   1.713  -0.299   5.770
  684   2HE   MET  90          2HE       MET  90   0.825  -0.420   4.250
  685   3HE   MET  90          3HE       MET  90   0.713   1.048   5.222
  686    H    TYR  91           H        TYR  91  -0.174   3.816   0.396
  687    HA   TYR  91           HA       TYR  91   0.325   6.564   1.213
  688   1HB   TYR  91          2HB       TYR  91  -2.122   5.235   0.049
  689   2HB   TYR  91          1HB       TYR  91  -2.074   6.923   0.544
  690    HD1  TYR  91           HD1      TYR  91  -0.610   8.523  -0.663
  691    HD2  TYR  91           HD2      TYR  91  -1.124   4.520  -2.008
  692    HE1  TYR  91           HE1      TYR  91   0.299   9.152  -2.859
  693    HE2  TYR  91           HE2      TYR  91  -0.216   5.139  -4.208
  694    HH   TYR  91           HH       TYR  91   0.042   7.179  -5.590
  695    H    VAL  92           H        VAL  92   0.369   6.946   3.301
  696    HA   VAL  92           HA       VAL  92  -1.218   5.438   5.178
  697    HB   VAL  92           HB       VAL  92   0.852   7.598   5.414
  698   1HG1  VAL  92          1HG1      VAL  92   0.520   7.688   7.837
  699   2HG1  VAL  92          2HG1      VAL  92  -0.907   6.662   7.686
  700   3HG1  VAL  92          3HG1      VAL  92  -0.906   8.278   6.981
  701   1HG2  VAL  92          1HG2      VAL  92   1.970   5.964   6.789
  702   2HG2  VAL  92          2HG2      VAL  92   1.479   5.213   5.268
  703   3HG2  VAL  92          3HG2      VAL  92   0.554   4.912   6.745
  704    H    TYR  93           H        TYR  93  -3.146   5.969   5.935
  705    HA   TYR  93           HA       TYR  93  -4.633   8.165   4.965
  706   1HB   TYR  93          2HB       TYR  93  -5.429   5.900   5.998
  707   2HB   TYR  93          1HB       TYR  93  -5.283   6.741   7.537
  708    HD1  TYR  93           HD1      TYR  93  -7.331   6.142   4.677
  709    HD2  TYR  93           HD2      TYR  93  -6.649   8.897   7.843
  710    HE1  TYR  93           HE1      TYR  93  -9.575   7.076   4.336
  711    HE2  TYR  93           HE2      TYR  93  -8.900   9.838   7.513
  712    HH   TYR  93           HH       TYR  93 -11.252   8.316   5.539
  713    H    GLN  94           H        GLN  94  -4.527  10.241   5.591
  714    HA   GLN  94           HA       GLN  94  -3.029  10.819   8.049
  715   1HB   GLN  94          2HB       GLN  94  -2.375  11.561   5.541
  716   2HB   GLN  94          1HB       GLN  94  -3.412  12.911   5.974
  717   1HG   GLN  94          2HG       GLN  94  -1.093  13.433   6.423
  718   2HG   GLN  94          1HG       GLN  94  -2.017  13.362   7.920
  719   1HE2  GLN  94          1HE2      GLN  94  -1.069  10.496   6.208
  720   2HE2  GLN  94          2HE2      GLN  94   0.109   9.957   7.349
  721    H    ARG  95           H        ARG  95  -3.700  13.502   8.314
  722    HA   ARG  95           HA       ARG  95  -5.262  14.911   9.164
  723   1HB   ARG  95          2HB       ARG  95  -7.388  13.268   7.774
  724   2HB   ARG  95          1HB       ARG  95  -7.441  14.978   8.187
  725   1HG   ARG  95          2HG       ARG  95  -5.417  15.168   6.571
  726   2HG   ARG  95          1HG       ARG  95  -5.979  13.613   5.970
  727   1HD   ARG  95          2HD       ARG  95  -6.920  15.381   4.631
  728   2HD   ARG  95          1HD       ARG  95  -8.196  14.591   5.555
  729    HE   ARG  95           HE       ARG  95  -8.464  16.519   6.830
  730   1HH1  ARG  95          1HH1      ARG  95  -5.808  16.873   4.564
  731   2HH1  ARG  95          2HH1      ARG  95  -5.684  18.594   4.776
  732   1HH2  ARG  95          1HH2      ARG  95  -8.321  18.786   7.088
  733   2HH2  ARG  95          2HH2      ARG  95  -7.121  19.678   6.205
  734    HA   PRO  96           HA       PRO  96  -7.172  13.138  12.837
  735   1HB   PRO  96          2HB       PRO  96  -9.936  13.671  11.853
  736   2HB   PRO  96          1HB       PRO  96  -9.196  14.077  13.406
  737   1HG   PRO  96          2HG       PRO  96  -9.575  15.951  11.562
  738   2HG   PRO  96          1HG       PRO  96  -8.099  15.933  12.549
  739   1HD   PRO  96          2HD       PRO  96  -8.494  15.105   9.705
  740   2HD   PRO  96          1HD       PRO  96  -7.105  15.908  10.465
  741    H    VAL  97           H        VAL  97  -6.671  10.991  12.530
  742    HA   VAL  97           HA       VAL  97  -8.488   9.303  10.994
  743    HB   VAL  97           HB       VAL  97  -6.879   7.489  11.443
  744   1HG1  VAL  97          1HG1      VAL  97  -6.600   8.854   9.458
  745   2HG1  VAL  97          2HG1      VAL  97  -5.029   8.377  10.102
  746   3HG1  VAL  97          3HG1      VAL  97  -5.633  10.014  10.369
  747   1HG2  VAL  97          1HG2      VAL  97  -4.747   7.953  12.525
  748   2HG2  VAL  97          2HG2      VAL  97  -6.086   8.257  13.633
  749   3HG2  VAL  97          3HG2      VAL  97  -5.261   9.608  12.854
  750    H    ASP  98           H        ASP  98  -8.119  10.402  14.114
  751    HA   ASP  98           HA       ASP  98  -8.788   8.190  15.698
  752   1HB   ASP  98          2HB       ASP  98  -7.940  10.364  16.567
  753   2HB   ASP  98          1HB       ASP  98  -9.494  11.094  16.185
  754    H    GLY  99           H        GLY  99 -10.486   6.929  15.202
  755   1HA   GLY  99          2HA       GLY  99 -13.006   7.065  15.727
  756   2HA   GLY  99          1HA       GLY  99 -13.009   8.240  14.420
  757    H    LEU 100           H        LEU 100 -10.739   6.372  13.315
  758    HA   LEU 100           HA       LEU 100 -12.493   4.864  11.605
  759   1HB   LEU 100          2HB       LEU 100  -9.482   4.776  11.808
  760   2HB   LEU 100          1HB       LEU 100 -10.451   4.122  10.502
  761    HG   LEU 100           HG       LEU 100 -10.239   7.049  11.201
  762   1HD1  LEU 100          1HD1      LEU 100  -9.009   5.472   8.949
  763   2HD1  LEU 100          2HD1      LEU 100  -8.153   6.209  10.306
  764   3HD1  LEU 100          3HD1      LEU 100  -8.964   7.229   9.117
  765   1HD2  LEU 100          1HD2      LEU 100 -11.571   5.661   8.879
  766   2HD2  LEU 100          2HD2      LEU 100 -11.407   7.405   9.084
  767   3HD2  LEU 100          3HD2      LEU 100 -12.390   6.474  10.214
  768    H    LYS 101           H        LYS 101 -12.136   2.510  11.247
  769    HA   LYS 101           HA       LYS 101 -12.116   1.188  13.851
  770   1HB   LYS 101          2HB       LYS 101 -12.875  -0.038  11.199
  771   2HB   LYS 101          1HB       LYS 101 -13.319  -0.581  12.814
  772   1HG   LYS 101          2HG       LYS 101 -14.672   1.429  13.122
  773   2HG   LYS 101          1HG       LYS 101 -14.234   1.968  11.502
  774   1HD   LYS 101          2HD       LYS 101 -15.233  -0.211  10.669
  775   2HD   LYS 101          1HD       LYS 101 -15.906  -0.402  12.291
  776   1HE   LYS 101          2HE       LYS 101 -16.436   1.807  10.317
  777   2HE   LYS 101          1HE       LYS 101 -17.579   0.612  10.928
  778   1HZ   LYS 101          1HZ       LYS 101 -17.880   2.764  11.988
  779   2HZ   LYS 101          2HZ       LYS 101 -16.280   2.748  12.541
  780   3HZ   LYS 101          3HZ       LYS 101 -17.387   1.607  13.126
  781    H    LEU 102           H        LEU 102 -10.251   0.446  14.508
  782    HA   LEU 102           HA       LEU 102  -8.037   0.107  12.728
  783   1HB   LEU 102          2HB       LEU 102  -7.787   0.998  15.000
  784   2HB   LEU 102          1HB       LEU 102  -8.336  -0.526  15.670
  785    HG   LEU 102           HG       LEU 102  -6.330  -1.634  14.726
  786   1HD1  LEU 102          1HD1      LEU 102  -5.475   1.171  14.023
  787   2HD1  LEU 102          2HD1      LEU 102  -5.930  -0.083  12.870
  788   3HD1  LEU 102          3HD1      LEU 102  -4.495  -0.288  13.874
  789   1HD2  LEU 102          1HD2      LEU 102  -4.752  -0.707  16.329
  790   2HD2  LEU 102          2HD2      LEU 102  -6.363  -0.820  17.036
  791   3HD2  LEU 102          3HD2      LEU 102  -5.746   0.741  16.491
  792    H    ILE 103           H        ILE 103  -7.119  -1.673  11.965
  793    HA   ILE 103           HA       ILE 103  -8.136  -4.304  12.812
  794    HB   ILE 103           HB       ILE 103  -7.175  -3.542  10.043
  795   1HG1  ILE 103          2HG1      ILE 103  -9.973  -4.206  10.992
  796   2HG1  ILE 103          1HG1      ILE 103  -9.400  -2.600  10.551
  797   1HG2  ILE 103          1HG2      ILE 103  -6.634  -5.837  10.607
  798   2HG2  ILE 103          2HG2      ILE 103  -7.923  -5.794   9.404
  799   3HG2  ILE 103          3HG2      ILE 103  -8.302  -6.134  11.093
  800   1HD1  ILE 103          1HD1      ILE 103  -9.614  -4.972   8.711
  801   2HD1  ILE 103          2HD1      ILE 103  -9.030  -3.369   8.262
  802   3HD1  ILE 103          3HD1      ILE 103 -10.706  -3.586   8.767
  803    H    GLU 104           H        GLU 104  -6.461  -4.577  14.311
  804    HA   GLU 104           HA       GLU 104  -3.718  -4.194  13.717
  805   1HB   GLU 104          2HB       GLU 104  -4.697  -6.258  15.674
  806   2HB   GLU 104          1HB       GLU 104  -3.227  -5.302  15.739
  807   1HG   GLU 104          2HG       GLU 104  -4.470  -4.268  17.344
  808   2HG   GLU 104          1HG       GLU 104  -4.906  -3.302  15.935
  809    H    SER 105           H        SER 105  -5.928  -6.536  12.707
  810    HA   SER 105           HA       SER 105  -4.189  -8.764  12.393
  811   1HB   SER 105          2HB       SER 105  -6.706  -8.178  10.829
  812   2HB   SER 105          1HB       SER 105  -5.977  -9.753  11.132
  813    HG   SER 105           HG       SER 105  -7.667  -9.493  12.559
  814    H    GLY 106           H        GLY 106  -4.640  -5.854  10.627
  815   1HA   GLY 106          2HA       GLY 106  -3.634  -5.044   8.726
  816   2HA   GLY 106          1HA       GLY 106  -2.547  -6.421   8.810
  817    H    ASP 107           H        ASP 107  -6.019  -6.782   8.583
  818    HA   ASP 107           HA       ASP 107  -5.758  -7.578   5.769
  819   1HB   ASP 107          2HB       ASP 107  -5.630  -9.586   7.270
  820   2HB   ASP 107          1HB       ASP 107  -7.250  -9.201   7.840
  821    H    TRP 108           H        TRP 108  -7.492  -7.110   4.508
  822    HA   TRP 108           HA       TRP 108  -9.200  -5.040   5.463
  823   1HB   TRP 108          2HB       TRP 108  -8.280  -5.056   3.171
  824   2HB   TRP 108          1HB       TRP 108  -9.196  -6.510   2.814
  825    HD1  TRP 108           HD1      TRP 108 -11.210  -5.974   1.367
  826    HE1  TRP 108           HE1      TRP 108 -12.900  -4.041   1.161
  827    HE3  TRP 108           HE3      TRP 108  -9.370  -2.902   5.023
  828    HZ2  TRP 108           HZ2      TRP 108 -13.386  -1.552   2.391
  829    HZ3  TRP 108           HZ3      TRP 108 -10.512  -0.762   5.442
  830    HH2  TRP 108           HH2      TRP 108 -12.476  -0.102   4.153
  831    H    LEU 109           H        LEU 109  -9.570  -8.477   5.075
  832    HA   LEU 109           HA       LEU 109 -12.499  -8.184   5.300
  833   1HB   LEU 109          2HB       LEU 109 -10.913 -10.358   3.934
  834   2HB   LEU 109          1HB       LEU 109 -12.663 -10.293   4.045
  835    HG   LEU 109           HG       LEU 109 -11.065  -8.117   2.703
  836   1HD1  LEU 109          1HD1      LEU 109 -11.596  -9.181   0.574
  837   2HD1  LEU 109          2HD1      LEU 109 -12.282 -10.562   1.430
  838   3HD1  LEU 109          3HD1      LEU 109 -10.558 -10.205   1.566
  839   1HD2  LEU 109          1HD2      LEU 109 -13.199  -7.636   1.616
  840   2HD2  LEU 109          2HD2      LEU 109 -13.350  -7.559   3.374
  841   3HD2  LEU 109          3HD2      LEU 109 -13.953  -8.966   2.498
  842    H    ASP 110           H        ASP 110 -10.077  -8.732   7.217
  843    HA   ASP 110           HA       ASP 110 -10.780 -11.285   8.346
  844   1HB   ASP 110          2HB       ASP 110  -8.451 -10.519   8.374
  845   2HB   ASP 110          1HB       ASP 110  -8.909  -9.144   9.373
  846    H    ARG 111           H        ARG 111 -10.795  -7.958   9.597
  847    HA   ARG 111           HA       ARG 111 -12.491  -8.819  11.792
  848   1HB   ARG 111          2HB       ARG 111 -11.075  -6.218  11.240
  849   2HB   ARG 111          1HB       ARG 111 -12.033  -6.547  12.682
  850   1HG   ARG 111          2HG       ARG 111 -10.566  -8.378  13.263
  851   2HG   ARG 111          1HG       ARG 111  -9.615  -8.102  11.810
  852   1HD   ARG 111          2HD       ARG 111  -8.596  -7.165  13.865
  853   2HD   ARG 111          1HD       ARG 111  -8.890  -5.970  12.604
  854    HE   ARG 111           HE       ARG 111 -10.761  -5.176  13.884
  855   1HH1  ARG 111          1HH1      ARG 111  -8.758  -7.516  15.543
  856   2HH1  ARG 111          2HH1      ARG 111  -9.076  -6.856  17.121
  857   1HH2  ARG 111          1HH2      ARG 111 -11.212  -4.330  15.978
  858   2HH2  ARG 111          2HH2      ARG 111 -10.470  -5.072  17.365
  859    H    ASP 112           H        ASP 112 -13.189  -8.168   8.837
  860    HA   ASP 112           HA       ASP 112 -15.103  -6.088   8.923
  861   1HB   ASP 112          2HB       ASP 112 -14.225  -6.841   6.794
  862   2HB   ASP 112          1HB       ASP 112 -14.871  -8.459   7.067
  863    H    LYS 113           H        LYS 113 -15.443  -9.616   9.090
  864    HA   LYS 113           HA       LYS 113 -16.854 -10.946  10.278
  865   1HB   LYS 113          2HB       LYS 113 -17.677  -8.347  11.544
  866   2HB   LYS 113          1HB       LYS 113 -18.219  -9.930  12.084
  867   1HG   LYS 113          2HG       LYS 113 -15.930 -10.569  12.559
  868   2HG   LYS 113          1HG       LYS 113 -15.359  -8.999  12.000
  869   1HD   LYS 113          2HD       LYS 113 -17.398  -9.166  14.185
  870   2HD   LYS 113          1HD       LYS 113 -15.691  -9.412  14.550
  871   1HE   LYS 113          2HE       LYS 113 -16.334  -7.090  14.920
  872   2HE   LYS 113          1HE       LYS 113 -15.172  -7.217  13.605
  873   1HZ   LYS 113          1HZ       LYS 113 -16.966  -6.986  12.022
  874   2HZ   LYS 113          2HZ       LYS 113 -16.971  -5.673  13.091
  875   3HZ   LYS 113          3HZ       LYS 113 -18.112  -6.920  13.271
  Start of MODEL    7
    1   1H    MET   1          1HT       MET   1   5.669   2.933 -13.672
    2   2H    MET   1          2HT       MET   1   4.533   1.712 -13.361
    3   3H    MET   1          3HT       MET   1   6.176   1.432 -13.067
    4    HA   MET   1           HA       MET   1   6.197   3.066 -11.331
    5   1HB   MET   1          2HB       MET   1   4.366   4.449 -12.367
    6   2HB   MET   1          1HB       MET   1   3.216   3.268 -11.749
    7   1HG   MET   1          2HG       MET   1   3.407   5.249 -10.319
    8   2HG   MET   1          1HG       MET   1   3.852   3.761  -9.485
    9   1HE   MET   1          1HE       MET   1   6.904   6.877 -11.019
   10   2HE   MET   1          2HE       MET   1   5.157   7.064 -11.158
   11   3HE   MET   1          3HE       MET   1   5.987   5.825 -12.097
   12    H    ARG   2           H        ARG   2   5.571   2.432  -9.110
   13    HA   ARG   2           HA       ARG   2   4.165  -0.136  -8.983
   14   1HB   ARG   2          2HB       ARG   2   6.956   0.478  -8.208
   15   2HB   ARG   2          1HB       ARG   2   6.036  -0.536  -7.108
   16   1HG   ARG   2          2HG       ARG   2   5.690  -2.185  -8.764
   17   2HG   ARG   2          1HG       ARG   2   6.259  -1.112 -10.045
   18   1HD   ARG   2          2HD       ARG   2   8.009  -1.985  -7.765
   19   2HD   ARG   2          1HD       ARG   2   7.861  -2.918  -9.254
   20    HE   ARG   2           HE       ARG   2   8.557  -0.118  -9.583
   21   1HH1  ARG   2          1HH1      ARG   2   9.687  -3.434  -9.314
   22   2HH1  ARG   2          2HH1      ARG   2  11.214  -3.107 -10.073
   23   1HH2  ARG   2          1HH2      ARG   2  10.570   0.299 -10.605
   24   2HH2  ARG   2          2HH2      ARG   2  11.691  -1.011 -10.849
   25    H    ILE   3           H        ILE   3   2.679  -0.222  -7.465
   26    HA   ILE   3           HA       ILE   3   2.793   1.725  -5.257
   27    HB   ILE   3           HB       ILE   3   0.316   0.985  -6.839
   28   1HG1  ILE   3          2HG1      ILE   3   1.825   3.605  -6.661
   29   2HG1  ILE   3          1HG1      ILE   3   1.821   2.523  -8.048
   30   1HG2  ILE   3          1HG2      ILE   3  -0.813   2.685  -5.461
   31   2HG2  ILE   3          2HG2      ILE   3   0.659   2.875  -4.511
   32   3HG2  ILE   3          3HG2      ILE   3  -0.207   1.340  -4.495
   33   1HD1  ILE   3          1HD1      ILE   3  -0.570   2.902  -8.337
   34   2HD1  ILE   3          2HD1      ILE   3   0.338   4.415  -8.389
   35   3HD1  ILE   3          3HD1      ILE   3  -0.568   3.978  -6.940
   36    H    PHE   4           H        PHE   4   1.970   1.021  -3.284
   37    HA   PHE   4           HA       PHE   4   1.759  -1.862  -2.997
   38   1HB   PHE   4          2HB       PHE   4   3.117  -0.591  -1.385
   39   2HB   PHE   4          1HB       PHE   4   1.698   0.336  -0.910
   40    HD1  PHE   4           HD1      PHE   4   3.033  -3.133  -1.034
   41    HD2  PHE   4           HD2      PHE   4   0.346  -0.406   0.824
   42    HE1  PHE   4           HE1      PHE   4   2.520  -4.817   0.688
   43    HE2  PHE   4           HE2      PHE   4  -0.169  -2.083   2.550
   44    HZ   PHE   4           HZ       PHE   4   0.919  -4.288   2.484
   45    H    VAL   5           H        VAL   5  -0.139  -2.781  -3.343
   46    HA   VAL   5           HA       VAL   5  -2.595  -1.278  -2.889
   47    HB   VAL   5           HB       VAL   5  -2.154  -3.997  -4.145
   48   1HG1  VAL   5          1HG1      VAL   5  -4.678  -2.351  -3.959
   49   2HG1  VAL   5          2HG1      VAL   5  -4.365  -3.862  -3.110
   50   3HG1  VAL   5          3HG1      VAL   5  -4.490  -3.851  -4.868
   51   1HG2  VAL   5          1HG2      VAL   5  -2.835  -1.324  -5.355
   52   2HG2  VAL   5          2HG2      VAL   5  -2.711  -2.850  -6.233
   53   3HG2  VAL   5          3HG2      VAL   5  -1.280  -2.151  -5.472
   54    H    TYR   6           H        TYR   6  -4.058  -1.762  -1.378
   55    HA   TYR   6           HA       TYR   6  -3.114  -3.472   0.799
   56   1HB   TYR   6          2HB       TYR   6  -5.165  -2.033   1.849
   57   2HB   TYR   6          1HB       TYR   6  -3.485  -1.506   1.844
   58    HD1  TYR   6           HD1      TYR   6  -3.003   0.598   1.018
   59    HD2  TYR   6           HD2      TYR   6  -6.518  -1.372  -0.360
   60    HE1  TYR   6           HE1      TYR   6  -3.627   2.612  -0.255
   61    HE2  TYR   6           HE2      TYR   6  -7.151   0.634  -1.629
   62    HH   TYR   6           HH       TYR   6  -6.723   3.056  -1.555
   63    H    GLY   7           H        GLY   7  -4.444  -4.623  -1.501
   64   1HA   GLY   7          2HA       GLY   7  -5.964  -6.297  -1.884
   65   2HA   GLY   7          1HA       GLY   7  -6.274  -6.313  -0.154
   66    H    SER   8           H        SER   8  -8.465  -6.733  -0.746
   67    HA   SER   8           HA       SER   8 -10.643  -6.249  -0.947
   68   1HB   SER   8          2HB       SER   8 -11.476  -4.077  -0.271
   69   2HB   SER   8          1HB       SER   8 -10.161  -4.573   0.788
   70    HG   SER   8           HG       SER   8  -8.811  -3.237  -0.690
   71    H    LEU   9           H        LEU   9  -8.751  -3.911  -2.823
   72    HA   LEU   9           HA       LEU   9 -10.811  -3.025  -4.485
   73   1HB   LEU   9          2HB       LEU   9  -7.848  -2.972  -4.574
   74   2HB   LEU   9          1HB       LEU   9  -8.705  -2.606  -6.056
   75    HG   LEU   9           HG       LEU   9  -9.855  -0.749  -4.953
   76   1HD1  LEU   9          1HD1      LEU   9  -9.156  -0.019  -2.716
   77   2HD1  LEU   9          2HD1      LEU   9  -8.204  -1.494  -2.545
   78   3HD1  LEU   9          3HD1      LEU   9  -9.961  -1.587  -2.682
   79   1HD2  LEU   9          1HD2      LEU   9  -7.744  -0.346  -6.076
   80   2HD2  LEU   9          2HD2      LEU   9  -6.872  -0.710  -4.588
   81   3HD2  LEU   9          3HD2      LEU   9  -7.920   0.706  -4.673
   82    H    ARG  10           H        ARG  10  -9.198  -6.016  -4.518
   83    HA   ARG  10           HA       ARG  10  -9.111  -6.728  -7.183
   84   1HB   ARG  10          2HB       ARG  10  -9.722  -8.409  -4.759
   85   2HB   ARG  10          1HB       ARG  10  -9.520  -9.093  -6.365
   86   1HG   ARG  10          2HG       ARG  10  -7.244  -8.084  -6.437
   87   2HG   ARG  10          1HG       ARG  10  -7.465  -7.603  -4.753
   88   1HD   ARG  10          2HD       ARG  10  -7.713  -9.908  -4.082
   89   2HD   ARG  10          1HD       ARG  10  -7.652 -10.440  -5.762
   90    HE   ARG  10           HE       ARG  10  -5.316  -8.967  -5.061
   91   1HH1  ARG  10          1HH1      ARG  10  -6.818 -12.127  -4.674
   92   2HH1  ARG  10          2HH1      ARG  10  -5.297 -12.949  -4.482
   93   1HH2  ARG  10          1HH2      ARG  10  -3.360 -10.042  -4.858
   94   2HH2  ARG  10          2HH2      ARG  10  -3.318 -11.767  -4.602
   95    H    HIS  11           H        HIS  11 -11.917  -6.129  -5.293
   96    HA   HIS  11           HA       HIS  11 -13.881  -7.633  -6.559
   97   1HB   HIS  11          2HB       HIS  11 -14.306  -6.191  -4.607
   98   2HB   HIS  11          1HB       HIS  11 -14.072  -4.763  -5.607
   99    HD1  HIS  11           HD1      HIS  11 -16.552  -7.424  -4.777
  100    HD2  HIS  11           HD2      HIS  11 -16.229  -4.130  -7.303
  101    HE1  HIS  11           HE1      HIS  11 -18.880  -6.992  -5.640
  102    HE2  HIS  11           HE2      HIS  11 -18.672  -4.966  -7.131
  103    H    LYS  12           H        LYS  12 -12.689  -4.401  -7.464
  104    HA   LYS  12           HA       LYS  12 -13.159  -5.081 -10.269
  105   1HB   LYS  12          2HB       LYS  12 -14.192  -2.600  -8.898
  106   2HB   LYS  12          1HB       LYS  12 -13.905  -2.652 -10.631
  107   1HG   LYS  12          2HG       LYS  12 -15.463  -4.609 -10.737
  108   2HG   LYS  12          1HG       LYS  12 -15.862  -4.299  -9.048
  109   1HD   LYS  12          2HD       LYS  12 -16.637  -2.060  -9.627
  110   2HD   LYS  12          1HD       LYS  12 -16.184  -2.328 -11.310
  111   1HE   LYS  12          2HE       LYS  12 -17.796  -4.185 -11.423
  112   2HE   LYS  12          1HE       LYS  12 -18.268  -3.858  -9.758
  113   1HZ   LYS  12          1HZ       LYS  12 -19.834  -2.834 -11.207
  114   2HZ   LYS  12          2HZ       LYS  12 -18.617  -2.059 -12.094
  115   3HZ   LYS  12          3HZ       LYS  12 -18.919  -1.600 -10.489
  116    H    GLN  13           H        GLN  13 -11.415  -4.667 -11.442
  117    HA   GLN  13           HA       GLN  13  -9.455  -2.727 -10.476
  118   1HB   GLN  13          2HB       GLN  13  -9.120  -5.234  -9.680
  119   2HB   GLN  13          1HB       GLN  13  -8.472  -5.414 -11.303
  120   1HG   GLN  13          2HG       GLN  13  -6.589  -4.991 -10.065
  121   2HG   GLN  13          1HG       GLN  13  -6.993  -3.393 -10.686
  122   1HE2  GLN  13          1HE2      GLN  13  -9.252  -3.112  -8.795
  123   2HE2  GLN  13          2HE2      GLN  13  -8.523  -2.774  -7.271
  124    H    GLY  14           H        GLY  14 -10.044  -5.196 -12.925
  125   1HA   GLY  14          2HA       GLY  14  -8.434  -3.761 -14.838
  126   2HA   GLY  14          1HA       GLY  14  -9.275  -5.274 -15.084
  127    H    ASN  15           H        ASN  15 -10.094  -1.898 -14.411
  128    HA   ASN  15           HA       ASN  15 -11.850  -1.923 -16.770
  129   1HB   ASN  15          2HB       ASN  15 -13.616  -0.796 -15.605
  130   2HB   ASN  15          1HB       ASN  15 -13.175  -2.193 -14.630
  131   1HD2  ASN  15          1HD2      ASN  15 -14.488   0.309 -13.895
  132   2HD2  ASN  15          2HD2      ASN  15 -13.528   0.996 -12.634
  133    H    SER  16           H        SER  16  -9.191  -0.710 -15.480
  134    HA   SER  16           HA       SER  16  -9.225   1.752 -16.922
  135   1HB   SER  16          2HB       SER  16  -8.848   3.186 -14.881
  136   2HB   SER  16          1HB       SER  16 -10.488   2.552 -15.023
  137    HG   SER  16           HG       SER  16 -10.066   1.080 -13.437
  138    H    HIS  17           H        HIS  17  -7.136   3.084 -15.794
  139    HA   HIS  17           HA       HIS  17  -4.940   1.479 -16.645
  140   1HB   HIS  17          2HB       HIS  17  -4.767   4.061 -15.064
  141   2HB   HIS  17          1HB       HIS  17  -3.535   3.368 -16.110
  142    HD1  HIS  17           HD1      HIS  17  -6.031   5.908 -16.047
  143    HD2  HIS  17           HD2      HIS  17  -4.509   3.346 -18.956
  144    HE1  HIS  17           HE1      HIS  17  -6.636   6.947 -18.258
  145    HE2  HIS  17           HE2      HIS  17  -5.510   5.498 -19.985
  146    H    TRP  18           H        TRP  18  -6.542   1.730 -13.669
  147    HA   TRP  18           HA       TRP  18  -4.426   1.452 -11.854
  148   1HB   TRP  18          2HB       TRP  18  -6.740   1.990 -11.174
  149   2HB   TRP  18          1HB       TRP  18  -7.238   0.355 -11.603
  150    HD1  TRP  18           HD1      TRP  18  -7.293  -1.266  -9.638
  151    HE1  TRP  18           HE1      TRP  18  -6.154  -1.430  -7.339
  152    HE3  TRP  18           HE3      TRP  18  -4.252   2.832  -9.942
  153    HZ2  TRP  18           HZ2      TRP  18  -4.232  -0.010  -5.847
  154    HZ3  TRP  18           HZ3      TRP  18  -2.793   3.357  -8.033
  155    HH2  TRP  18           HH2      TRP  18  -2.785   1.963  -6.029
  156    H    MET  19           H        MET  19  -6.389  -1.018 -13.512
  157    HA   MET  19           HA       MET  19  -4.181  -2.879 -12.983
  158   1HB   MET  19          2HB       MET  19  -6.677  -3.452 -12.432
  159   2HB   MET  19          1HB       MET  19  -6.792  -3.760 -14.158
  160   1HG   MET  19          2HG       MET  19  -4.827  -5.090 -12.304
  161   2HG   MET  19          1HG       MET  19  -6.367  -5.781 -12.804
  162   1HE   MET  19          1HE       MET  19  -3.604  -7.308 -13.100
  163   2HE   MET  19          2HE       MET  19  -3.773  -7.988 -14.721
  164   3HE   MET  19          3HE       MET  19  -5.148  -7.976 -13.616
  165    H    THR  20           H        THR  20  -6.433  -3.345 -15.590
  166    HA   THR  20           HA       THR  20  -5.998  -4.052 -17.706
  167    HB   THR  20           HB       THR  20  -4.672  -1.342 -17.796
  168    HG1  THR  20           HG1      THR  20  -6.665  -0.746 -17.374
  169   1HG2  THR  20          1HG2      THR  20  -5.875  -3.033 -19.997
  170   2HG2  THR  20          2HG2      THR  20  -4.164  -2.651 -19.795
  171   3HG2  THR  20          3HG2      THR  20  -5.315  -1.370 -20.175
  172    H    ASN  21           H        ASN  21  -2.966  -2.246 -17.233
  173    HA   ASN  21           HA       ASN  21  -1.506  -4.437 -18.501
  174   1HB   ASN  21          2HB       ASN  21  -0.549  -1.690 -17.661
  175   2HB   ASN  21          1HB       ASN  21   0.290  -2.816 -18.723
  176   1HD2  ASN  21          1HD2      ASN  21  -0.955  -0.023 -18.949
  177   2HD2  ASN  21          2HD2      ASN  21  -1.879  -0.116 -20.413
  178    H    ALA  22           H        ALA  22  -2.330  -3.460 -15.446
  179    HA   ALA  22           HA       ALA  22  -0.019  -3.517 -13.923
  180   1HB   ALA  22          1HB       ALA  22  -1.437  -3.927 -12.017
  181   2HB   ALA  22          2HB       ALA  22  -2.743  -4.469 -13.071
  182   3HB   ALA  22          3HB       ALA  22  -2.222  -2.786 -13.111
  183    H    GLN  23           H        GLN  23   1.195  -4.995 -12.996
  184    HA   GLN  23           HA       GLN  23   0.469  -7.833 -13.283
  185   1HB   GLN  23          2HB       GLN  23   2.298  -7.338 -14.796
  186   2HB   GLN  23          1HB       GLN  23   3.191  -6.532 -13.515
  187   1HG   GLN  23          2HG       GLN  23   3.371  -8.689 -12.329
  188   2HG   GLN  23          1HG       GLN  23   2.547  -9.469 -13.679
  189   1HE2  GLN  23          1HE2      GLN  23   5.243  -9.892 -12.599
  190   2HE2  GLN  23          2HE2      GLN  23   6.320  -9.637 -13.928
  191    H    LEU  24           H        LEU  24   0.098  -8.715 -11.339
  192    HA   LEU  24           HA       LEU  24   0.954  -7.587  -8.895
  193   1HB   LEU  24          2HB       LEU  24  -0.929  -9.096  -8.925
  194   2HB   LEU  24          1HB       LEU  24   0.063 -10.393  -9.565
  195    HG   LEU  24           HG       LEU  24   1.352 -10.424  -7.451
  196   1HD1  LEU  24          1HD1      LEU  24   1.021  -8.117  -6.761
  197   2HD1  LEU  24          2HD1      LEU  24   0.490  -9.230  -5.500
  198   3HD1  LEU  24          3HD1      LEU  24  -0.700  -8.423  -6.520
  199   1HD2  LEU  24          1HD2      LEU  24  -0.392 -11.446  -6.078
  200   2HD2  LEU  24          2HD2      LEU  24  -0.513 -11.951  -7.763
  201   3HD2  LEU  24          3HD2      LEU  24  -1.626 -10.741  -7.124
  202    H    LEU  25           H        LEU  25   3.019  -7.298  -8.502
  203    HA   LEU  25           HA       LEU  25   5.108  -8.916  -9.508
  204   1HB   LEU  25          2HB       LEU  25   5.007  -6.899  -7.269
  205   2HB   LEU  25          1HB       LEU  25   6.482  -7.636  -7.844
  206    HG   LEU  25           HG       LEU  25   4.637  -5.884  -9.462
  207   1HD1  LEU  25          1HD1      LEU  25   5.902  -4.667  -7.769
  208   2HD1  LEU  25          2HD1      LEU  25   6.465  -4.284  -9.395
  209   3HD1  LEU  25          3HD1      LEU  25   7.401  -5.376  -8.374
  210   1HD2  LEU  25          1HD2      LEU  25   7.269  -7.170 -10.196
  211   2HD2  LEU  25          2HD2      LEU  25   6.399  -5.986 -11.172
  212   3HD2  LEU  25          3HD2      LEU  25   5.686  -7.569 -10.865
  213    H    GLY  26           H        GLY  26   3.400  -8.747  -6.459
  214   1HA   GLY  26          2HA       GLY  26   3.281 -11.385  -5.872
  215   2HA   GLY  26          1HA       GLY  26   4.866 -10.916  -5.262
  216    H    ASP  27           H        ASP  27   2.727 -11.846  -3.638
  217    HA   ASP  27           HA       ASP  27   1.472  -9.643  -2.329
  218   1HB   ASP  27          2HB       ASP  27   2.168 -12.262  -1.010
  219   2HB   ASP  27          1HB       ASP  27   0.901 -11.146  -0.556
  220    H    PHE  28           H        PHE  28   2.098  -8.581  -0.480
  221    HA   PHE  28           HA       PHE  28   4.799  -9.114   0.523
  222   1HB   PHE  28          2HB       PHE  28   5.039  -7.393  -1.206
  223   2HB   PHE  28          1HB       PHE  28   3.836  -6.399  -0.397
  224    HD1  PHE  28           HD1      PHE  28   4.972  -4.501   0.224
  225    HD2  PHE  28           HD2      PHE  28   6.681  -8.301   1.064
  226    HE1  PHE  28           HE1      PHE  28   6.736  -3.408   1.536
  227    HE2  PHE  28           HE2      PHE  28   8.454  -7.214   2.386
  228    HZ   PHE  28           HZ       PHE  28   8.475  -4.762   2.627
  229    H    SER  29           H        SER  29   4.589  -9.439   2.610
  230    HA   SER  29           HA       SER  29   2.565  -7.957   4.110
  231   1HB   SER  29          2HB       SER  29   3.230  -9.678   5.918
  232   2HB   SER  29          1HB       SER  29   2.330 -10.263   4.518
  233    HG   SER  29           HG       SER  29   4.165 -11.570   5.060
  234    H    ILE  30           H        ILE  30   3.100  -6.425   5.531
  235    HA   ILE  30           HA       ILE  30   5.953  -6.124   6.207
  236    HB   ILE  30           HB       ILE  30   5.415  -3.676   6.520
  237   1HG1  ILE  30          2HG1      ILE  30   2.919  -4.514   5.042
  238   2HG1  ILE  30          1HG1      ILE  30   3.002  -3.780   6.638
  239   1HG2  ILE  30          1HG2      ILE  30   6.675  -4.478   4.625
  240   2HG2  ILE  30          2HG2      ILE  30   5.595  -3.173   4.130
  241   3HG2  ILE  30          3HG2      ILE  30   5.182  -4.848   3.760
  242   1HD1  ILE  30          1HD1      ILE  30   2.288  -2.167   4.989
  243   2HD1  ILE  30          2HD1      ILE  30   3.739  -2.465   4.032
  244   3HD1  ILE  30          3HD1      ILE  30   3.871  -1.723   5.628
  245    H    ASP  31           H        ASP  31   6.488  -6.058   8.274
  246    HA   ASP  31           HA       ASP  31   4.374  -6.555  10.205
  247   1HB   ASP  31          2HB       ASP  31   7.363  -6.874  10.257
  248   2HB   ASP  31          1HB       ASP  31   6.416  -6.944  11.735
  249    H    ASN  32           H        ASN  32   4.219  -5.478  12.162
  250    HA   ASN  32           HA       ASN  32   4.092  -3.710  13.549
  251   1HB   ASN  32          2HB       ASN  32   6.585  -2.803  12.110
  252   2HB   ASN  32          1HB       ASN  32   5.880  -1.948  13.479
  253   1HD2  ASN  32          1HD2      ASN  32   8.477  -3.240  13.200
  254   2HD2  ASN  32          2HD2      ASN  32   8.562  -4.416  14.471
  255    H    TYR  33           H        TYR  33   2.682  -3.836  11.027
  256    HA   TYR  33           HA       TYR  33   1.905  -1.001  10.983
  257   1HB   TYR  33          2HB       TYR  33   2.007  -2.771   8.527
  258   2HB   TYR  33          1HB       TYR  33   1.376  -1.134   8.586
  259    HD1  TYR  33           HD1      TYR  33   2.909   0.779   8.845
  260    HD2  TYR  33           HD2      TYR  33   4.367  -3.188   8.432
  261    HE1  TYR  33           HE1      TYR  33   5.138   1.661   8.292
  262    HE2  TYR  33           HE2      TYR  33   6.595  -2.325   7.878
  263    HH   TYR  33           HH       TYR  33   7.440   0.986   8.293
  264    H    GLN  34           H        GLN  34  -0.349  -0.660  10.491
  265    HA   GLN  34           HA       GLN  34  -2.025  -3.052  10.926
  266   1HB   GLN  34          2HB       GLN  34  -2.489  -0.339  12.181
  267   2HB   GLN  34          1HB       GLN  34  -3.440  -1.796  12.447
  268   1HG   GLN  34          2HG       GLN  34  -1.588  -2.857  13.549
  269   2HG   GLN  34          1HG       GLN  34  -0.535  -1.495  13.167
  270   1HE2  GLN  34          1HE2      GLN  34  -0.859   0.474  14.232
  271   2HE2  GLN  34          2HE2      GLN  34  -1.699   0.554  15.744
  272    H    LEU  35           H        LEU  35  -4.263  -2.795  10.187
  273    HA   LEU  35           HA       LEU  35  -4.359  -0.967   7.871
  274   1HB   LEU  35          2HB       LEU  35  -4.227  -3.501   7.497
  275   2HB   LEU  35          1HB       LEU  35  -5.866  -3.566   8.112
  276    HG   LEU  35           HG       LEU  35  -6.532  -1.983   6.269
  277   1HD1  LEU  35          1HD1      LEU  35  -3.759  -2.616   5.266
  278   2HD1  LEU  35          2HD1      LEU  35  -4.339  -1.039   5.799
  279   3HD1  LEU  35          3HD1      LEU  35  -5.018  -1.785   4.353
  280   1HD2  LEU  35          1HD2      LEU  35  -6.521  -3.709   4.534
  281   2HD2  LEU  35          2HD2      LEU  35  -6.957  -4.371   6.107
  282   3HD2  LEU  35          3HD2      LEU  35  -5.338  -4.632   5.458
  283    H    TYR  36           H        TYR  36  -5.990   0.468   7.793
  284    HA   TYR  36           HA       TYR  36  -8.139   0.256   9.780
  285   1HB   TYR  36          2HB       TYR  36  -7.257   2.575   8.056
  286   2HB   TYR  36          1HB       TYR  36  -8.618   2.626   9.172
  287    HD1  TYR  36           HD1      TYR  36  -8.135   2.135  11.631
  288    HD2  TYR  36           HD2      TYR  36  -5.119   3.083   8.790
  289    HE1  TYR  36           HE1      TYR  36  -6.601   2.727  13.465
  290    HE2  TYR  36           HE2      TYR  36  -3.573   3.691  10.600
  291    HH   TYR  36           HH       TYR  36  -4.006   4.533  13.196
  292    H    SER  37           H        SER  37 -10.172  -0.173   9.251
  293    HA   SER  37           HA       SER  37 -10.907  -0.259   6.415
  294   1HB   SER  37          2HB       SER  37 -12.445  -1.275   8.819
  295   2HB   SER  37          1HB       SER  37 -12.799  -1.603   7.122
  296    HG   SER  37           HG       SER  37 -10.286  -2.294   7.537
  297    H    LEU  38           H        LEU  38 -11.457   1.769   5.807
  298    HA   LEU  38           HA       LEU  38 -13.478   3.141   7.446
  299   1HB   LEU  38          2HB       LEU  38 -12.644   5.262   6.354
  300   2HB   LEU  38          1HB       LEU  38 -11.600   4.525   7.550
  301    HG   LEU  38           HG       LEU  38 -11.085   3.834   4.705
  302   1HD1  LEU  38          1HD1      LEU  38 -10.356   6.499   5.922
  303   2HD1  LEU  38          2HD1      LEU  38 -11.512   6.247   4.615
  304   3HD1  LEU  38          3HD1      LEU  38  -9.806   5.880   4.365
  305   1HD2  LEU  38          1HD2      LEU  38  -8.775   3.932   5.495
  306   2HD2  LEU  38          2HD2      LEU  38  -9.749   2.890   6.531
  307   3HD2  LEU  38          3HD2      LEU  38  -9.327   4.517   7.064
  308    H    GLY  39           H        GLY  39 -13.467   1.270   4.939
  309   1HA   GLY  39          2HA       GLY  39 -15.153   0.935   3.387
  310   2HA   GLY  39          1HA       GLY  39 -15.814   2.506   3.813
  311    H    HIS  40           H        HIS  40 -13.877   4.254   3.222
  312    HA   HIS  40           HA       HIS  40 -14.024   4.547   0.441
  313   1HB   HIS  40          2HB       HIS  40 -13.554   6.358   2.184
  314   2HB   HIS  40          1HB       HIS  40 -11.886   5.801   2.172
  315    HD1  HIS  40           HD1      HIS  40 -10.720   7.732   1.036
  316    HD2  HIS  40           HD2      HIS  40 -14.103   6.470  -1.018
  317    HE1  HIS  40           HE1      HIS  40 -10.743   9.048  -1.102
  318    HE2  HIS  40           HE2      HIS  40 -12.932   8.453  -2.200
  319    H    TYR  41           H        TYR  41 -11.456   3.331   2.513
  320    HA   TYR  41           HA       TYR  41 -10.510   1.467   0.635
  321   1HB   TYR  41          2HB       TYR  41  -8.445   2.400  -0.086
  322   2HB   TYR  41          1HB       TYR  41  -9.623   3.685  -0.340
  323    HD1  TYR  41           HD1      TYR  41  -6.488   2.879   1.024
  324    HD2  TYR  41           HD2      TYR  41  -9.868   5.384   1.663
  325    HE1  TYR  41           HE1      TYR  41  -5.115   4.356   2.423
  326    HE2  TYR  41           HE2      TYR  41  -8.494   6.872   3.062
  327    HH   TYR  41           HH       TYR  41  -5.070   6.594   3.232
  328    HA   PRO  42           HA       PRO  42  -8.603   0.145   4.505
  329   1HB   PRO  42          2HB       PRO  42  -6.615  -1.312   2.902
  330   2HB   PRO  42          1HB       PRO  42  -7.820  -1.940   4.031
  331   1HG   PRO  42          2HG       PRO  42  -8.038  -2.303   1.379
  332   2HG   PRO  42          1HG       PRO  42  -9.458  -2.071   2.414
  333   1HD   PRO  42          2HD       PRO  42  -8.071  -0.099   0.635
  334   2HD   PRO  42          1HD       PRO  42  -9.812  -0.367   0.875
  335    H    GLY  43           H        GLY  43  -7.487   1.723   5.500
  336   1HA   GLY  43          2HA       GLY  43  -5.108   2.867   4.245
  337   2HA   GLY  43          1HA       GLY  43  -5.879   3.436   5.722
  338    H    ALA  44           H        ALA  44  -3.086   3.064   5.543
  339    HA   ALA  44           HA       ALA  44  -2.741   0.864   7.438
  340   1HB   ALA  44          1HB       ALA  44  -1.064   1.138   4.945
  341   2HB   ALA  44          2HB       ALA  44  -2.267  -0.115   5.255
  342   3HB   ALA  44          3HB       ALA  44  -0.808  -0.028   6.243
  343    H    VAL  45           H        VAL  45  -1.163   1.179   8.948
  344    HA   VAL  45           HA       VAL  45   0.663   3.451   8.672
  345    HB   VAL  45           HB       VAL  45   0.094   4.417  10.826
  346   1HG1  VAL  45          1HG1      VAL  45  -1.038   5.391   8.965
  347   2HG1  VAL  45          2HG1      VAL  45  -2.160   5.321  10.326
  348   3HG1  VAL  45          3HG1      VAL  45  -2.290   4.149   9.011
  349   1HG2  VAL  45          1HG2      VAL  45  -1.894   3.693  12.080
  350   2HG2  VAL  45          2HG2      VAL  45  -0.666   2.429  11.976
  351   3HG2  VAL  45          3HG2      VAL  45  -2.100   2.350  10.952
  352    HA   PRO  46           HA       PRO  46   3.345   0.869  11.174
  353   1HB   PRO  46          2HB       PRO  46   4.157   3.231  12.726
  354   2HB   PRO  46          1HB       PRO  46   5.129   2.195  11.678
  355   1HG   PRO  46          2HG       PRO  46   4.484   4.705  10.976
  356   2HG   PRO  46          1HG       PRO  46   4.609   3.402   9.780
  357   1HD   PRO  46          2HD       PRO  46   2.163   4.606  11.023
  358   2HD   PRO  46          1HD       PRO  46   2.450   4.126   9.335
  359    H    GLY  47           H        GLY  47   3.319  -0.169  13.143
  360   1HA   GLY  47          2HA       GLY  47   2.428   0.789  15.587
  361   2HA   GLY  47          1HA       GLY  47   1.005   0.165  14.764
  362    H    ASN  48           H        ASN  48   0.572  -1.933  14.992
  363    HA   ASN  48           HA       ASN  48   2.724  -3.825  15.461
  364   1HB   ASN  48          2HB       ASN  48   2.042  -2.974  17.714
  365   2HB   ASN  48          1HB       ASN  48   0.417  -3.571  17.405
  366   1HD2  ASN  48          1HD2      ASN  48   3.640  -4.382  18.292
  367   2HD2  ASN  48          2HD2      ASN  48   3.355  -6.067  18.605
  368    H    GLY  49           H        GLY  49   2.170  -4.745  13.512
  369   1HA   GLY  49          2HA       GLY  49   0.333  -6.860  13.591
  370   2HA   GLY  49          1HA       GLY  49  -0.403  -5.531  12.699
  371    H    THR  50           H        THR  50  -0.063  -7.682  11.191
  372    HA   THR  50           HA       THR  50   2.315  -6.983   9.594
  373    HB   THR  50           HB       THR  50   1.072  -9.736   9.668
  374    HG1  THR  50           HG1      THR  50   3.558  -9.229  10.877
  375   1HG2  THR  50          1HG2      THR  50   3.739  -8.726   8.665
  376   2HG2  THR  50          2HG2      THR  50   2.370  -9.196   7.660
  377   3HG2  THR  50          3HG2      THR  50   3.199 -10.404   8.643
  378    H    VAL  51           H        VAL  51   1.523  -5.789   7.957
  379    HA   VAL  51           HA       VAL  51  -1.132  -6.323   6.916
  380    HB   VAL  51           HB       VAL  51   0.887  -4.225   6.071
  381   1HG1  VAL  51          1HG1      VAL  51  -0.990  -3.155   4.923
  382   2HG1  VAL  51          2HG1      VAL  51  -2.037  -4.501   5.373
  383   3HG1  VAL  51          3HG1      VAL  51  -0.682  -4.766   4.276
  384   1HG2  VAL  51          1HG2      VAL  51  -0.575  -2.657   7.269
  385   2HG2  VAL  51          2HG2      VAL  51   0.130  -3.862   8.347
  386   3HG2  VAL  51          3HG2      VAL  51  -1.552  -4.012   7.835
  387    H    HIS  52           H        HIS  52  -1.230  -8.067   5.641
  388    HA   HIS  52           HA       HIS  52   0.888  -8.459   3.689
  389   1HB   HIS  52          2HB       HIS  52  -0.452 -10.637   3.232
  390   2HB   HIS  52          1HB       HIS  52   0.574 -10.512   4.633
  391    HD1  HIS  52           HD1      HIS  52  -2.586 -11.728   3.666
  392    HD2  HIS  52           HD2      HIS  52  -1.081  -9.831   7.055
  393    HE1  HIS  52           HE1      HIS  52  -4.108 -12.394   5.553
  394    HE2  HIS  52           HE2      HIS  52  -3.074 -11.382   7.623
  395    H    GLY  53           H        GLY  53   0.583  -7.058   2.137
  396   1HA   GLY  53          2HA       GLY  53  -2.046  -7.056   0.793
  397   2HA   GLY  53          1HA       GLY  53  -0.990  -5.653   0.881
  398    H    GLU  54           H        GLU  54  -0.948  -5.429  -1.363
  399    HA   GLU  54           HA       GLU  54   0.436  -7.584  -2.829
  400   1HB   GLU  54          2HB       GLU  54  -1.777  -5.824  -3.888
  401   2HB   GLU  54          1HB       GLU  54  -0.990  -7.143  -4.738
  402   1HG   GLU  54          2HG       GLU  54  -1.990  -8.763  -3.313
  403   2HG   GLU  54          1HG       GLU  54  -2.592  -7.513  -2.224
  404    H    VAL  55           H        VAL  55   2.319  -6.862  -3.697
  405    HA   VAL  55           HA       VAL  55   2.578  -4.014  -4.351
  406    HB   VAL  55           HB       VAL  55   4.631  -6.228  -4.566
  407   1HG1  VAL  55          1HG1      VAL  55   4.937  -3.240  -4.880
  408   2HG1  VAL  55          2HG1      VAL  55   5.116  -4.450  -6.152
  409   3HG1  VAL  55          3HG1      VAL  55   6.267  -4.398  -4.813
  410   1HG2  VAL  55          1HG2      VAL  55   4.322  -4.028  -2.527
  411   2HG2  VAL  55          2HG2      VAL  55   5.635  -5.205  -2.592
  412   3HG2  VAL  55          3HG2      VAL  55   3.987  -5.740  -2.262
  413    H    TYR  56           H        TYR  56   2.052  -3.275  -6.302
  414    HA   TYR  56           HA       TYR  56   2.012  -5.198  -8.546
  415   1HB   TYR  56          2HB       TYR  56   0.154  -2.966  -7.795
  416   2HB   TYR  56          1HB       TYR  56   0.342  -3.389  -9.489
  417    HD1  TYR  56           HD1      TYR  56  -0.848  -5.167 -10.409
  418    HD2  TYR  56           HD2      TYR  56  -0.597  -4.784  -6.184
  419    HE1  TYR  56           HE1      TYR  56  -2.537  -6.934 -10.158
  420    HE2  TYR  56           HE2      TYR  56  -2.283  -6.545  -5.919
  421    HH   TYR  56           HH       TYR  56  -3.774  -7.828  -6.938
  422    H    ARG  57           H        ARG  57   2.785  -4.599 -10.514
  423    HA   ARG  57           HA       ARG  57   4.086  -1.971 -10.723
  424   1HB   ARG  57          2HB       ARG  57   5.565  -3.908 -11.143
  425   2HB   ARG  57          1HB       ARG  57   4.484  -4.449 -12.421
  426   1HG   ARG  57          2HG       ARG  57   4.965  -2.486 -13.728
  427   2HG   ARG  57          1HG       ARG  57   5.943  -1.814 -12.423
  428   1HD   ARG  57          2HD       ARG  57   7.390  -2.757 -14.100
  429   2HD   ARG  57          1HD       ARG  57   7.481  -3.735 -12.638
  430    HE   ARG  57           HE       ARG  57   5.545  -4.760 -14.468
  431   1HH1  ARG  57          1HH1      ARG  57   8.993  -4.539 -13.903
  432   2HH1  ARG  57          2HH1      ARG  57   9.349  -6.045 -14.698
  433   1HH2  ARG  57          1HH2      ARG  57   6.018  -6.752 -15.520
  434   2HH2  ARG  57          2HH2      ARG  57   7.667  -7.299 -15.605
  435    H    ILE  58           H        ILE  58   2.909  -0.502 -11.735
  436    HA   ILE  58           HA       ILE  58   1.140  -1.347 -13.932
  437    HB   ILE  58           HB       ILE  58  -0.597   0.129 -13.281
  438   1HG1  ILE  58          2HG1      ILE  58   0.923   1.977 -12.475
  439   2HG1  ILE  58          1HG1      ILE  58  -0.533   1.731 -11.521
  440   1HG2  ILE  58          1HG2      ILE  58  -0.618  -1.972 -12.091
  441   2HG2  ILE  58          2HG2      ILE  58  -1.256  -0.685 -11.070
  442   3HG2  ILE  58          3HG2      ILE  58   0.381  -1.285 -10.810
  443   1HD1  ILE  58          1HD1      ILE  58   0.817   0.485  -9.871
  444   2HD1  ILE  58          2HD1      ILE  58   1.315   2.163 -10.072
  445   3HD1  ILE  58          3HD1      ILE  58   2.260   0.873 -10.811
  446    H    ASP  59           H        ASP  59   0.443   0.728 -15.220
  447    HA   ASP  59           HA       ASP  59   2.647   1.963 -16.367
  448   1HB   ASP  59          2HB       ASP  59  -0.197   2.982 -16.178
  449   2HB   ASP  59          1HB       ASP  59   1.038   3.673 -17.224
  450    H    ASN  60           H        ASN  60   3.730   3.894 -16.070
  451    HA   ASN  60           HA       ASN  60   3.910   5.015 -13.491
  452   1HB   ASN  60          2HB       ASN  60   4.701   6.089 -16.212
  453   2HB   ASN  60          1HB       ASN  60   5.023   6.964 -14.721
  454   1HD2  ASN  60          1HD2      ASN  60   7.231   6.854 -15.051
  455   2HD2  ASN  60          2HD2      ASN  60   8.127   5.382 -14.834
  456    H    ALA  61           H        ALA  61   1.983   5.804 -16.309
  457    HA   ALA  61           HA       ALA  61   1.002   8.311 -15.538
  458   1HB   ALA  61          1HB       ALA  61  -0.294   6.221 -17.276
  459   2HB   ALA  61          2HB       ALA  61   0.827   7.473 -17.809
  460   3HB   ALA  61          3HB       ALA  61  -0.762   7.919 -17.187
  461    H    THR  62           H        THR  62  -0.036   5.065 -14.673
  462    HA   THR  62           HA       THR  62  -2.576   5.607 -13.683
  463    HB   THR  62           HB       THR  62  -0.591   3.640 -12.522
  464    HG1  THR  62           HG1      THR  62  -2.166   2.363 -14.128
  465   1HG2  THR  62          1HG2      THR  62  -2.615   3.976 -11.163
  466   2HG2  THR  62          2HG2      THR  62  -2.572   2.368 -11.885
  467   3HG2  THR  62          3HG2      THR  62  -3.612   3.615 -12.572
  468    H    LEU  63           H        LEU  63   0.581   5.994 -12.165
  469    HA   LEU  63           HA       LEU  63  -0.402   6.688  -9.584
  470   1HB   LEU  63          2HB       LEU  63   1.914   5.896  -9.950
  471   2HB   LEU  63          1HB       LEU  63   2.259   7.366 -10.844
  472    HG   LEU  63           HG       LEU  63   1.690   8.657  -8.744
  473   1HD1  LEU  63          1HD1      LEU  63   0.413   6.873  -7.647
  474   2HD1  LEU  63          2HD1      LEU  63   1.722   7.477  -6.633
  475   3HD1  LEU  63          3HD1      LEU  63   1.895   5.933  -7.469
  476   1HD2  LEU  63          1HD2      LEU  63   3.989   8.296  -9.445
  477   2HD2  LEU  63          2HD2      LEU  63   4.013   6.737  -8.622
  478   3HD2  LEU  63          3HD2      LEU  63   3.852   8.226  -7.690
  479    H    ALA  64           H        ALA  64   0.774   8.494 -12.377
  480    HA   ALA  64           HA       ALA  64   0.425  11.082 -11.376
  481   1HB   ALA  64          1HB       ALA  64   1.648  10.574 -13.443
  482   2HB   ALA  64          2HB       ALA  64   0.409  11.803 -13.701
  483   3HB   ALA  64          3HB       ALA  64   0.129  10.144 -14.228
  484    H    GLU  65           H        GLU  65  -1.837   8.785 -12.734
  485    HA   GLU  65           HA       GLU  65  -3.998  10.678 -12.959
  486   1HB   GLU  65          2HB       GLU  65  -3.925   8.699 -14.390
  487   2HB   GLU  65          1HB       GLU  65  -4.020   7.654 -12.982
  488   1HG   GLU  65          2HG       GLU  65  -6.253   8.276 -12.550
  489   2HG   GLU  65          1HG       GLU  65  -6.162   9.644 -13.657
  490    H    LEU  66           H        LEU  66  -3.044   8.186 -10.641
  491    HA   LEU  66           HA       LEU  66  -5.254   8.463  -8.922
  492   1HB   LEU  66          2HB       LEU  66  -3.722   6.539  -8.877
  493   2HB   LEU  66          1HB       LEU  66  -2.439   7.577  -8.283
  494    HG   LEU  66           HG       LEU  66  -4.952   7.360  -6.675
  495   1HD1  LEU  66          1HD1      LEU  66  -4.402   5.049  -7.202
  496   2HD1  LEU  66          2HD1      LEU  66  -4.035   5.411  -5.514
  497   3HD1  LEU  66          3HD1      LEU  66  -2.732   5.318  -6.699
  498   1HD2  LEU  66          1HD2      LEU  66  -3.378   7.625  -4.828
  499   2HD2  LEU  66          2HD2      LEU  66  -3.208   8.929  -6.004
  500   3HD2  LEU  66          3HD2      LEU  66  -2.030   7.617  -5.969
  501    H    ASP  67           H        ASP  67  -2.072  10.033  -8.952
  502    HA   ASP  67           HA       ASP  67  -2.353  11.546  -6.613
  503   1HB   ASP  67          2HB       ASP  67  -0.685  11.717  -9.055
  504   2HB   ASP  67          1HB       ASP  67  -0.854  13.207  -8.131
  505    H    ALA  68           H        ALA  68  -3.122  12.419  -9.967
  506    HA   ALA  68           HA       ALA  68  -4.036  15.007  -9.487
  507   1HB   ALA  68          1HB       ALA  68  -3.546  14.155 -11.719
  508   2HB   ALA  68          2HB       ALA  68  -5.168  14.844 -11.640
  509   3HB   ALA  68          3HB       ALA  68  -4.950  13.094 -11.626
  510    H    LEU  69           H        LEU  69  -5.629  11.932  -9.045
  511    HA   LEU  69           HA       LEU  69  -8.201  13.173  -8.607
  512   1HB   LEU  69          2HB       LEU  69  -7.181  10.366  -8.580
  513   2HB   LEU  69          1HB       LEU  69  -8.737  10.739  -7.864
  514    HG   LEU  69           HG       LEU  69  -7.974  11.277 -10.736
  515   1HD1  LEU  69          1HD1      LEU  69  -9.506   9.464 -11.271
  516   2HD1  LEU  69          2HD1      LEU  69  -9.794   9.179  -9.554
  517   3HD1  LEU  69          3HD1      LEU  69  -8.196   8.885 -10.241
  518   1HD2  LEU  69          1HD2      LEU  69  -9.571  12.891  -9.889
  519   2HD2  LEU  69          2HD2      LEU  69 -10.576  11.593  -9.245
  520   3HD2  LEU  69          3HD2      LEU  69 -10.376  11.770 -10.991
  521    H    ARG  70           H        ARG  70  -5.856  11.375  -6.611
  522    HA   ARG  70           HA       ARG  70  -7.603  11.683  -4.326
  523   1HB   ARG  70          2HB       ARG  70  -6.535   9.532  -4.737
  524   2HB   ARG  70          1HB       ARG  70  -4.946  10.270  -4.618
  525   1HG   ARG  70          2HG       ARG  70  -5.383  10.812  -2.269
  526   2HG   ARG  70          1HG       ARG  70  -6.962  10.035  -2.394
  527   1HD   ARG  70          2HD       ARG  70  -4.325   8.655  -2.895
  528   2HD   ARG  70          1HD       ARG  70  -5.212   8.592  -1.373
  529    HE   ARG  70           HE       ARG  70  -6.942   7.778  -3.421
  530   1HH1  ARG  70          1HH1      ARG  70  -4.037   6.632  -1.813
  531   2HH1  ARG  70          2HH1      ARG  70  -4.398   4.958  -2.089
  532   1HH2  ARG  70          1HH2      ARG  70  -7.402   5.594  -3.792
  533   2HH2  ARG  70          2HH2      ARG  70  -6.302   4.365  -3.236
  534    H    THR  71           H        THR  71  -4.371  12.844  -5.293
  535    HA   THR  71           HA       THR  71  -4.094  14.007  -2.613
  536    HB   THR  71           HB       THR  71  -1.737  14.291  -3.084
  537    HG1  THR  71           HG1      THR  71  -1.100  13.098  -5.201
  538   1HG2  THR  71          1HG2      THR  71  -1.114  11.931  -3.262
  539   2HG2  THR  71          2HG2      THR  71  -2.741  11.552  -3.832
  540   3HG2  THR  71          3HG2      THR  71  -2.501  12.160  -2.195
  541    H    ARG  72           H        ARG  72  -4.945  14.915  -5.735
  542    HA   ARG  72           HA       ARG  72  -4.122  17.578  -5.882
  543   1HB   ARG  72          2HB       ARG  72  -5.327  16.432  -7.692
  544   2HB   ARG  72          1HB       ARG  72  -6.775  16.374  -6.703
  545   1HG   ARG  72          2HG       ARG  72  -6.810  18.851  -6.696
  546   2HG   ARG  72          1HG       ARG  72  -5.438  18.835  -7.808
  547   1HD   ARG  72          2HD       ARG  72  -6.740  17.672  -9.469
  548   2HD   ARG  72          1HD       ARG  72  -8.092  17.508  -8.348
  549    HE   ARG  72           HE       ARG  72  -7.160  20.179  -9.149
  550   1HH1  ARG  72          1HH1      ARG  72  -9.628  17.699  -9.214
  551   2HH1  ARG  72          2HH1      ARG  72 -10.907  18.790  -9.651
  552   1HH2  ARG  72          1HH2      ARG  72  -8.831  21.621  -9.767
  553   2HH2  ARG  72          2HH2      ARG  72 -10.445  21.023  -9.981
  554    H    GLY  73           H        GLY  73  -6.598  16.011  -3.999
  555   1HA   GLY  73          2HA       GLY  73  -7.727  18.511  -3.077
  556   2HA   GLY  73          1HA       GLY  73  -8.199  16.897  -2.562
  557    H    GLY  74           H        GLY  74  -6.028  15.769  -1.556
  558   1HA   GLY  74          2HA       GLY  74  -4.038  16.380  -0.203
  559   2HA   GLY  74          1HA       GLY  74  -5.018  17.692   0.451
  560    H    GLU  75           H        GLU  75  -5.429  14.231  -0.117
  561    HA   GLU  75           HA       GLU  75  -7.117  14.106   2.229
  562   1HB   GLU  75          2HB       GLU  75  -6.585  12.286  -0.082
  563   2HB   GLU  75          1HB       GLU  75  -7.381  11.692   1.355
  564   1HG   GLU  75          2HG       GLU  75  -9.019  13.616   1.043
  565   2HG   GLU  75          1HG       GLU  75  -8.327  13.765  -0.574
  566    H    TYR  76           H        TYR  76  -4.183  12.393   1.028
  567    HA   TYR  76           HA       TYR  76  -3.854  11.402   3.780
  568   1HB   TYR  76          2HB       TYR  76  -3.442   9.603   1.394
  569   2HB   TYR  76          1HB       TYR  76  -3.547   9.150   3.094
  570    HD1  TYR  76           HD1      TYR  76  -5.255   8.960   0.130
  571    HD2  TYR  76           HD2      TYR  76  -5.902  10.109   4.178
  572    HE1  TYR  76           HE1      TYR  76  -7.673   8.604  -0.159
  573    HE2  TYR  76           HE2      TYR  76  -8.318   9.746   3.902
  574    HH   TYR  76           HH       TYR  76  -9.923   9.840   1.620
  575    H    ALA  77           H        ALA  77  -1.656  10.289   4.024
  576    HA   ALA  77           HA       ALA  77   0.328  12.085   2.868
  577   1HB   ALA  77          1HB       ALA  77   1.847  11.193   4.542
  578   2HB   ALA  77          2HB       ALA  77   0.641  10.000   5.022
  579   3HB   ALA  77          3HB       ALA  77   0.339  11.718   5.290
  580    H    ARG  78           H        ARG  78   2.202  11.381   1.835
  581    HA   ARG  78           HA       ARG  78   1.939   8.791   0.478
  582   1HB   ARG  78          2HB       ARG  78   2.048  10.612  -1.058
  583   2HB   ARG  78          1HB       ARG  78   3.411  11.327  -0.218
  584   1HG   ARG  78          2HG       ARG  78   4.244  10.383  -2.210
  585   2HG   ARG  78          1HG       ARG  78   4.755   9.324  -0.898
  586   1HD   ARG  78          2HD       ARG  78   4.011   7.971  -2.723
  587   2HD   ARG  78          1HD       ARG  78   2.830   7.846  -1.422
  588    HE   ARG  78           HE       ARG  78   1.274   8.906  -2.754
  589   1HH1  ARG  78          1HH1      ARG  78   4.420   9.109  -4.293
  590   2HH1  ARG  78          2HH1      ARG  78   3.774   9.631  -5.814
  591   1HH2  ARG  78          1HH2      ARG  78   0.437   9.561  -4.766
  592   2HH2  ARG  78          2HH2      ARG  78   1.514   9.918  -6.086
  593    H    GLN  79           H        GLN  79   3.407   7.254   0.726
  594    HA   GLN  79           HA       GLN  79   5.955   7.858   2.059
  595   1HB   GLN  79          2HB       GLN  79   4.357   6.953   3.740
  596   2HB   GLN  79          1HB       GLN  79   4.137   5.527   2.740
  597   1HG   GLN  79          2HG       GLN  79   6.378   4.827   3.104
  598   2HG   GLN  79          1HG       GLN  79   6.792   6.354   3.878
  599   1HE2  GLN  79          1HE2      GLN  79   3.752   4.799   4.511
  600   2HE2  GLN  79          2HE2      GLN  79   4.117   4.291   6.117
  601    H    LEU  80           H        LEU  80   7.663   6.388   1.476
  602    HA   LEU  80           HA       LEU  80   6.993   4.676  -0.823
  603   1HB   LEU  80          2HB       LEU  80   8.339   6.619  -1.487
  604   2HB   LEU  80          1HB       LEU  80   9.568   6.169  -0.319
  605    HG   LEU  80           HG       LEU  80   9.992   4.086  -1.555
  606   1HD1  LEU  80          1HD1      LEU  80   8.987   3.740  -3.752
  607   2HD1  LEU  80          2HD1      LEU  80   7.986   5.174  -3.528
  608   3HD1  LEU  80          3HD1      LEU  80   7.758   3.769  -2.487
  609   1HD2  LEU  80          1HD2      LEU  80  10.093   6.562  -3.280
  610   2HD2  LEU  80          2HD2      LEU  80  11.039   5.095  -3.525
  611   3HD2  LEU  80          3HD2      LEU  80  11.301   6.083  -2.086
  612    H    ILE  81           H        ILE  81   7.211   2.594  -0.402
  613    HA   ILE  81           HA       ILE  81   9.044   1.808   1.762
  614    HB   ILE  81           HB       ILE  81   7.696  -0.273   1.933
  615   1HG1  ILE  81          2HG1      ILE  81   5.526   1.101   0.394
  616   2HG1  ILE  81          1HG1      ILE  81   6.738   0.175  -0.480
  617   1HG2  ILE  81          1HG2      ILE  81   5.798   0.801   3.084
  618   2HG2  ILE  81          2HG2      ILE  81   6.241   2.335   2.329
  619   3HG2  ILE  81          3HG2      ILE  81   7.344   1.561   3.467
  620   1HD1  ILE  81          1HD1      ILE  81   4.726  -1.129  -0.009
  621   2HD1  ILE  81          2HD1      ILE  81   4.988  -0.892   1.718
  622   3HD1  ILE  81          3HD1      ILE  81   6.155  -1.815   0.767
  623    H    GLN  82           H        GLN  82  10.318  -0.013   1.529
  624    HA   GLN  82           HA       GLN  82  11.085  -0.537  -1.247
  625   1HB   GLN  82          2HB       GLN  82  12.872   0.248   0.197
  626   2HB   GLN  82          1HB       GLN  82  12.504  -0.980   1.400
  627   1HG   GLN  82          2HG       GLN  82  14.506  -1.507   0.098
  628   2HG   GLN  82          1HG       GLN  82  13.239  -2.721  -0.099
  629   1HE2  GLN  82          1HE2      GLN  82  13.780  -3.464  -2.047
  630   2HE2  GLN  82          2HE2      GLN  82  13.656  -2.529  -3.497
  631    H    THR  83           H        THR  83  10.718  -2.450  -2.191
  632    HA   THR  83           HA       THR  83   9.805  -4.660  -0.464
  633    HB   THR  83           HB       THR  83   8.104  -5.207  -2.001
  634    HG1  THR  83           HG1      THR  83   8.627  -3.323  -3.944
  635   1HG2  THR  83          1HG2      THR  83   8.357  -2.205  -1.911
  636   2HG2  THR  83          2HG2      THR  83   7.486  -3.233  -0.768
  637   3HG2  THR  83          3HG2      THR  83   6.902  -3.060  -2.424
  638    HA   PRO  84           HA       PRO  84  12.748  -7.281  -2.600
  639   1HB   PRO  84          2HB       PRO  84  10.659  -9.352  -2.837
  640   2HB   PRO  84          1HB       PRO  84  12.207  -9.413  -1.988
  641   1HG   PRO  84          2HG       PRO  84   9.883  -9.274  -0.656
  642   2HG   PRO  84          1HG       PRO  84  11.345  -8.465  -0.067
  643   1HD   PRO  84          2HD       PRO  84   8.978  -7.304  -1.483
  644   2HD   PRO  84          1HD       PRO  84   9.917  -6.644  -0.126
  645    H    TYR  85           H        TYR  85   9.808  -6.262  -3.902
  646    HA   TYR  85           HA       TYR  85  10.367  -7.411  -6.551
  647   1HB   TYR  85          2HB       TYR  85   7.801  -6.060  -5.725
  648   2HB   TYR  85          1HB       TYR  85   8.065  -7.197  -7.043
  649    HD1  TYR  85           HD1      TYR  85   8.569  -9.625  -6.453
  650    HD2  TYR  85           HD2      TYR  85   7.133  -6.805  -3.605
  651    HE1  TYR  85           HE1      TYR  85   7.865 -11.472  -4.983
  652    HE2  TYR  85           HE2      TYR  85   6.426  -8.639  -2.134
  653    HH   TYR  85           HH       TYR  85   5.845 -10.976  -2.249
  654    H    GLY  86           H        GLY  86  11.332  -4.873  -4.998
  655   1HA   GLY  86          2HA       GLY  86  12.342  -3.184  -6.581
  656   2HA   GLY  86          1HA       GLY  86  10.689  -2.933  -7.125
  657    H    SER  87           H        SER  87   9.401  -1.571  -6.005
  658    HA   SER  87           HA       SER  87   9.772  -0.709  -3.356
  659   1HB   SER  87          2HB       SER  87  11.771   0.390  -4.240
  660   2HB   SER  87          1HB       SER  87  10.834   1.119  -5.535
  661    HG   SER  87           HG       SER  87  11.142   1.912  -2.934
  662    H    ALA  88           H        ALA  88   7.929   0.367  -2.716
  663    HA   ALA  88           HA       ALA  88   6.004   0.920  -4.882
  664   1HB   ALA  88          1HB       ALA  88   4.257  -0.231  -3.645
  665   2HB   ALA  88          2HB       ALA  88   5.414  -0.653  -2.381
  666   3HB   ALA  88          3HB       ALA  88   5.596  -1.324  -4.001
  667    H    TRP  89           H        TRP  89   4.550   2.535  -4.540
  668    HA   TRP  89           HA       TRP  89   5.115   4.361  -2.382
  669   1HB   TRP  89          2HB       TRP  89   3.066   4.486  -4.605
  670   2HB   TRP  89          1HB       TRP  89   3.397   5.783  -3.468
  671    HD1  TRP  89           HD1      TRP  89   4.570   4.337  -6.697
  672    HE1  TRP  89           HE1      TRP  89   6.575   5.679  -7.556
  673    HE3  TRP  89           HE3      TRP  89   5.567   7.109  -2.520
  674    HZ2  TRP  89           HZ2      TRP  89   8.360   7.653  -6.613
  675    HZ3  TRP  89           HZ3      TRP  89   7.441   8.702  -2.579
  676    HH2  TRP  89           HH2      TRP  89   8.809   8.967  -4.587
  677    H    MET  90           H        MET  90   4.099   4.499  -0.542
  678    HA   MET  90           HA       MET  90   1.667   2.891  -0.111
  679   1HB   MET  90          2HB       MET  90   3.746   2.318   1.190
  680   2HB   MET  90          1HB       MET  90   3.660   3.910   1.931
  681   1HG   MET  90          2HG       MET  90   1.476   3.327   2.886
  682   2HG   MET  90          1HG       MET  90   1.613   1.719   2.176
  683   1HE   MET  90          1HE       MET  90   1.236   0.594   4.558
  684   2HE   MET  90          2HE       MET  90   1.069   2.199   5.269
  685   3HE   MET  90          3HE       MET  90   2.164   1.023   5.994
  686    H    TYR  91           H        TYR  91  -0.003   3.805   1.230
  687    HA   TYR  91           HA       TYR  91   0.125   6.729   1.516
  688   1HB   TYR  91          2HB       TYR  91  -2.026   5.016   0.373
  689   2HB   TYR  91          1HB       TYR  91  -2.512   6.415   1.323
  690    HD1  TYR  91           HD1      TYR  91  -2.229   8.625   0.511
  691    HD2  TYR  91           HD2      TYR  91  -0.739   5.328  -1.726
  692    HE1  TYR  91           HE1      TYR  91  -1.894  10.100  -1.422
  693    HE2  TYR  91           HE2      TYR  91  -0.396   6.798  -3.668
  694    HH   TYR  91           HH       TYR  91  -0.742  10.265  -3.422
  695    H    VAL  92           H        VAL  92  -0.269   7.512   3.469
  696    HA   VAL  92           HA       VAL  92  -1.320   5.662   5.505
  697    HB   VAL  92           HB       VAL  92   0.725   7.847   5.659
  698   1HG1  VAL  92          1HG1      VAL  92  -0.875   6.865   8.020
  699   2HG1  VAL  92          2HG1      VAL  92  -0.933   8.493   7.345
  700   3HG1  VAL  92          3HG1      VAL  92   0.550   7.898   8.089
  701   1HG2  VAL  92          1HG2      VAL  92   1.880   6.174   7.005
  702   2HG2  VAL  92          2HG2      VAL  92   1.408   5.525   5.433
  703   3HG2  VAL  92          3HG2      VAL  92   0.477   5.108   6.881
  704    H    TYR  93           H        TYR  93  -2.992   6.072   6.573
  705    HA   TYR  93           HA       TYR  93  -4.987   7.769   5.784
  706   1HB   TYR  93          2HB       TYR  93  -6.121   6.687   7.401
  707   2HB   TYR  93          1HB       TYR  93  -4.660   5.754   7.597
  708    HD1  TYR  93           HD1      TYR  93  -3.024   6.383   9.379
  709    HD2  TYR  93           HD2      TYR  93  -6.903   8.104   9.172
  710    HE1  TYR  93           HE1      TYR  93  -2.808   7.120  11.712
  711    HE2  TYR  93           HE2      TYR  93  -6.696   8.847  11.504
  712    HH   TYR  93           HH       TYR  93  -3.843   9.010  13.147
  713    H    GLN  94           H        GLN  94  -5.540   9.847   6.205
  714    HA   GLN  94           HA       GLN  94  -3.952  11.341   8.170
  715   1HB   GLN  94          2HB       GLN  94  -3.427  11.458   5.500
  716   2HB   GLN  94          1HB       GLN  94  -4.588  12.766   5.666
  717   1HG   GLN  94          2HG       GLN  94  -2.329  13.600   5.867
  718   2HG   GLN  94          1HG       GLN  94  -3.192  13.783   7.389
  719   1HE2  GLN  94          1HE2      GLN  94  -1.921  10.725   6.262
  720   2HE2  GLN  94          2HE2      GLN  94  -0.697  10.581   7.465
  721    H    ARG  95           H        ARG  95  -6.555  10.280   8.317
  722    HA   ARG  95           HA       ARG  95  -8.155  12.723   8.608
  723   1HB   ARG  95          2HB       ARG  95  -9.016  10.068   7.421
  724   2HB   ARG  95          1HB       ARG  95 -10.158  11.295   7.950
  725   1HG   ARG  95          2HG       ARG  95  -8.030  11.810   5.887
  726   2HG   ARG  95          1HG       ARG  95  -9.659  11.267   5.488
  727   1HD   ARG  95          2HD       ARG  95 -10.619  13.247   6.447
  728   2HD   ARG  95          1HD       ARG  95  -9.057  13.753   7.082
  729    HE   ARG  95           HE       ARG  95  -8.493  14.577   5.018
  730   1HH1  ARG  95          1HH1      ARG  95 -11.356  12.574   4.687
  731   2HH1  ARG  95          2HH1      ARG  95 -11.713  13.123   3.076
  732   1HH2  ARG  95          1HH2      ARG  95  -8.993  15.335   2.928
  733   2HH2  ARG  95          2HH2      ARG  95 -10.372  14.704   2.089
  734    HA   PRO  96           HA       PRO  96  -9.100  10.959  12.618
  735   1HB   PRO  96          2HB       PRO  96 -11.999  10.836  12.408
  736   2HB   PRO  96          1HB       PRO  96 -11.001  11.954  13.336
  737   1HG   PRO  96          2HG       PRO  96 -12.448  12.712  11.167
  738   2HG   PRO  96          1HG       PRO  96 -10.939  13.505  11.652
  739   1HD   PRO  96          2HD       PRO  96 -11.408  11.468   9.507
  740   2HD   PRO  96          1HD       PRO  96 -10.382  12.919   9.479
  741    H    VAL  97           H        VAL  97  -8.951   8.950  13.455
  742    HA   VAL  97           HA       VAL  97 -10.369   6.769  12.078
  743    HB   VAL  97           HB       VAL  97  -8.924   5.287  13.630
  744   1HG1  VAL  97          1HG1      VAL  97  -7.647   6.895  11.431
  745   2HG1  VAL  97          2HG1      VAL  97  -8.618   5.437  11.228
  746   3HG1  VAL  97          3HG1      VAL  97  -7.060   5.351  12.051
  747   1HG2  VAL  97          1HG2      VAL  97  -6.753   6.290  14.244
  748   2HG2  VAL  97          2HG2      VAL  97  -8.108   6.981  15.145
  749   3HG2  VAL  97          3HG2      VAL  97  -7.393   7.876  13.804
  750    H    ASP  98           H        ASP  98 -11.247   8.818  14.247
  751    HA   ASP  98           HA       ASP  98 -11.861   7.425  16.581
  752   1HB   ASP  98          2HB       ASP  98 -13.105   9.860  15.335
  753   2HB   ASP  98          1HB       ASP  98 -13.555   9.264  16.926
  754    H    GLY  99           H        GLY  99 -13.050   6.847  13.628
  755   1HA   GLY  99          2HA       GLY  99 -15.375   5.450  14.719
  756   2HA   GLY  99          1HA       GLY  99 -15.662   6.615  13.435
  757    H    LEU 100           H        LEU 100 -12.782   4.637  13.566
  758    HA   LEU 100           HA       LEU 100 -13.768   3.217  11.177
  759   1HB   LEU 100          2HB       LEU 100 -10.900   3.801  11.919
  760   2HB   LEU 100          1HB       LEU 100 -11.462   3.045  10.442
  761    HG   LEU 100           HG       LEU 100 -11.862   5.916  11.275
  762   1HD1  LEU 100          1HD1      LEU 100 -10.584   6.390   9.243
  763   2HD1  LEU 100          2HD1      LEU 100 -10.383   4.659   8.967
  764   3HD1  LEU 100          3HD1      LEU 100  -9.656   5.417  10.384
  765   1HD2  LEU 100          1HD2      LEU 100 -13.018   6.192   9.135
  766   2HD2  LEU 100          2HD2      LEU 100 -13.882   5.095  10.215
  767   3HD2  LEU 100          3HD2      LEU 100 -12.931   4.450   8.876
  768    H    LYS 101           H        LYS 101 -12.804   1.030  10.860
  769    HA   LYS 101           HA       LYS 101 -12.431  -0.297  13.454
  770   1HB   LYS 101          2HB       LYS 101 -14.206  -1.133  11.807
  771   2HB   LYS 101          1HB       LYS 101 -12.862  -1.702  10.822
  772   1HG   LYS 101          2HG       LYS 101 -12.078  -2.908  12.955
  773   2HG   LYS 101          1HG       LYS 101 -13.711  -2.613  13.546
  774   1HD   LYS 101          2HD       LYS 101 -13.935  -4.705  12.617
  775   2HD   LYS 101          1HD       LYS 101 -14.420  -3.674  11.271
  776   1HE   LYS 101          2HE       LYS 101 -12.926  -5.395  10.471
  777   2HE   LYS 101          1HE       LYS 101 -12.126  -3.828  10.367
  778   1HZ   LYS 101          1HZ       LYS 101 -10.741  -4.329  12.161
  779   2HZ   LYS 101          2HZ       LYS 101 -10.809  -5.797  11.312
  780   3HZ   LYS 101          3HZ       LYS 101 -11.730  -5.584  12.714
  781    H    LEU 102           H        LEU 102 -10.477  -0.898  14.007
  782    HA   LEU 102           HA       LEU 102  -8.294  -0.756  12.122
  783   1HB   LEU 102          2HB       LEU 102  -8.032   0.097  14.404
  784   2HB   LEU 102          1HB       LEU 102  -8.412  -1.483  15.055
  785    HG   LEU 102           HG       LEU 102  -6.341  -2.377  14.039
  786   1HD1  LEU 102          1HD1      LEU 102  -4.655  -0.738  13.242
  787   2HD1  LEU 102          2HD1      LEU 102  -5.907   0.504  13.275
  788   3HD1  LEU 102          3HD1      LEU 102  -6.062  -0.877  12.190
  789   1HD2  LEU 102          1HD2      LEU 102  -4.796  -1.277  15.589
  790   2HD2  LEU 102          2HD2      LEU 102  -6.344  -1.643  16.351
  791   3HD2  LEU 102          3HD2      LEU 102  -5.978   0.007  15.848
  792    H    ILE 103           H        ILE 103  -7.182  -2.472  11.299
  793    HA   ILE 103           HA       ILE 103  -8.025  -5.157  12.135
  794    HB   ILE 103           HB       ILE 103  -6.571  -4.332   9.611
  795   1HG1  ILE 103          2HG1      ILE 103  -9.378  -5.353  10.102
  796   2HG1  ILE 103          1HG1      ILE 103  -8.932  -3.744   9.546
  797   1HG2  ILE 103          1HG2      ILE 103  -5.815  -6.504  10.423
  798   2HG2  ILE 103          2HG2      ILE 103  -6.760  -6.674   8.944
  799   3HG2  ILE 103          3HG2      ILE 103  -7.485  -7.063  10.503
  800   1HD1  ILE 103          1HD1      ILE 103  -8.525  -6.313   8.026
  801   2HD1  ILE 103          2HD1      ILE 103  -8.086  -4.697   7.471
  802   3HD1  ILE 103          3HD1      ILE 103  -9.780  -5.108   7.727
  803    H    GLU 104           H        GLU 104  -6.882  -5.438  13.881
  804    HA   GLU 104           HA       GLU 104  -4.241  -4.587  14.378
  805   1HB   GLU 104          2HB       GLU 104  -5.492  -6.862  15.867
  806   2HB   GLU 104          1HB       GLU 104  -4.466  -5.569  16.466
  807   1HG   GLU 104          2HG       GLU 104  -6.464  -4.907  17.319
  808   2HG   GLU 104          1HG       GLU 104  -6.521  -4.073  15.765
  809    H    SER 105           H        SER 105  -4.534  -6.380  11.982
  810    HA   SER 105           HA       SER 105  -2.261  -8.079  12.471
  811   1HB   SER 105          2HB       SER 105  -4.956  -9.343  11.893
  812   2HB   SER 105          1HB       SER 105  -3.415 -10.197  11.880
  813    HG   SER 105           HG       SER 105  -3.726  -8.828  14.185
  814    H    GLY 106           H        GLY 106  -3.701  -6.024  10.544
  815   1HA   GLY 106          2HA       GLY 106  -3.302  -5.368   8.403
  816   2HA   GLY 106          1HA       GLY 106  -1.844  -6.322   8.546
  817    H    ASP 107           H        ASP 107  -4.874  -8.027   8.699
  818    HA   ASP 107           HA       ASP 107  -4.376  -8.995   5.965
  819   1HB   ASP 107          2HB       ASP 107  -5.956 -10.789   6.492
  820   2HB   ASP 107          1HB       ASP 107  -4.716 -10.704   7.736
  821    H    TRP 108           H        TRP 108  -6.643  -9.483   4.817
  822    HA   TRP 108           HA       TRP 108  -8.521  -7.301   5.440
  823   1HB   TRP 108          2HB       TRP 108  -7.456  -6.912   3.245
  824   2HB   TRP 108          1HB       TRP 108  -7.994  -8.493   2.703
  825    HD1  TRP 108           HD1      TRP 108 -10.103  -8.389   1.282
  826    HE1  TRP 108           HE1      TRP 108 -12.156  -6.845   1.097
  827    HE3  TRP 108           HE3      TRP 108  -8.946  -5.078   5.002
  828    HZ2  TRP 108           HZ2      TRP 108 -13.139  -4.522   2.363
  829    HZ3  TRP 108           HZ3      TRP 108 -10.496  -3.222   5.452
  830    HH2  TRP 108           HH2      TRP 108 -12.551  -2.950   4.157
  831    H    LEU 109           H        LEU 109  -8.056 -10.618   4.451
  832    HA   LEU 109           HA       LEU 109 -10.783 -11.260   5.286
  833   1HB   LEU 109          2HB       LEU 109  -9.651 -12.096   2.613
  834   2HB   LEU 109          1HB       LEU 109 -11.208 -12.563   3.264
  835    HG   LEU 109           HG       LEU 109 -10.467  -9.714   2.619
  836   1HD1  LEU 109          1HD1      LEU 109 -11.834 -10.005   0.598
  837   2HD1  LEU 109          2HD1      LEU 109 -11.966 -11.728   0.950
  838   3HD1  LEU 109          3HD1      LEU 109 -10.392 -11.019   0.585
  839   1HD2  LEU 109          1HD2      LEU 109 -12.255  -9.955   4.246
  840   2HD2  LEU 109          2HD2      LEU 109 -13.117 -11.045   3.159
  841   3HD2  LEU 109          3HD2      LEU 109 -12.881  -9.356   2.711
  842    H    ASP 110           H        ASP 110  -9.080 -12.059   7.004
  843    HA   ASP 110           HA       ASP 110  -8.757 -14.906   6.373
  844   1HB   ASP 110          2HB       ASP 110  -6.544 -13.784   6.149
  845   2HB   ASP 110          1HB       ASP 110  -6.650 -13.318   7.844
  846    H    ARG 111           H        ARG 111 -10.602 -15.359   7.589
  847    HA   ARG 111           HA       ARG 111  -9.924 -15.819  10.331
  848   1HB   ARG 111          2HB       ARG 111 -12.088 -14.892  11.243
  849   2HB   ARG 111          1HB       ARG 111 -10.856 -13.721  10.815
  850   1HG   ARG 111          2HG       ARG 111 -13.013 -14.378   8.858
  851   2HG   ARG 111          1HG       ARG 111 -13.343 -13.297  10.211
  852   1HD   ARG 111          2HD       ARG 111 -11.497 -11.858   9.521
  853   2HD   ARG 111          1HD       ARG 111 -11.146 -12.946   8.180
  854    HE   ARG 111           HE       ARG 111 -13.728 -12.276   7.755
  855   1HH1  ARG 111          1HH1      ARG 111 -10.874 -10.368   8.422
  856   2HH1  ARG 111          2HH1      ARG 111 -11.361  -9.049   7.399
  857   1HH2  ARG 111          1HH2      ARG 111 -14.409 -10.513   6.447
  858   2HH2  ARG 111          2HH2      ARG 111 -13.374  -9.117   6.292
  859    H    ASP 112           H        ASP 112 -12.712 -15.941   8.091
  860    HA   ASP 112           HA       ASP 112 -13.136 -18.690   9.002
  861   1HB   ASP 112          2HB       ASP 112 -15.221 -16.599   8.343
  862   2HB   ASP 112          1HB       ASP 112 -15.556 -18.283   8.675
  863    H    LYS 113           H        LYS 113 -15.508 -17.988   6.956
  864    HA   LYS 113           HA       LYS 113 -16.080 -18.576   4.862
  865   1HB   LYS 113          2HB       LYS 113 -13.332 -17.515   4.267
  866   2HB   LYS 113          1HB       LYS 113 -14.526 -17.909   3.037
  867   1HG   LYS 113          2HG       LYS 113 -16.061 -16.279   4.299
  868   2HG   LYS 113          1HG       LYS 113 -14.581 -15.717   5.080
  869   1HD   LYS 113          2HD       LYS 113 -15.014 -14.306   3.197
  870   2HD   LYS 113          1HD       LYS 113 -13.625 -15.321   2.810
  871   1HE   LYS 113          2HE       LYS 113 -15.036 -16.807   1.508
  872   2HE   LYS 113          1HE       LYS 113 -16.463 -15.873   1.950
  873   1HZ   LYS 113          1HZ       LYS 113 -15.628 -15.329  -0.273
  874   2HZ   LYS 113          2HZ       LYS 113 -14.158 -14.819   0.401
  875   3HZ   LYS 113          3HZ       LYS 113 -15.591 -13.986   0.762
  Start of MODEL    8
    1   1H    MET   1          1HT       MET   1   5.906   2.778 -13.688
    2   2H    MET   1          2HT       MET   1   4.684   1.649 -13.359
    3   3H    MET   1          3HT       MET   1   6.310   1.232 -13.121
    4    HA   MET   1           HA       MET   1   6.512   2.844 -11.368
    5   1HB   MET   1          2HB       MET   1   4.779   4.384 -12.301
    6   2HB   MET   1          1HB       MET   1   3.550   3.277 -11.705
    7   1HG   MET   1          2HG       MET   1   3.924   5.198 -10.221
    8   2HG   MET   1          1HG       MET   1   4.234   3.650  -9.436
    9   1HE   MET   1          1HE       MET   1   5.806   6.936 -10.904
   10   2HE   MET   1          2HE       MET   1   6.452   5.692 -11.974
   11   3HE   MET   1          3HE       MET   1   7.528   6.552 -10.873
   12    H    ARG   2           H        ARG   2   5.727   2.333  -9.081
   13    HA   ARG   2           HA       ARG   2   4.441  -0.307  -8.997
   14   1HB   ARG   2          2HB       ARG   2   7.068   0.517  -7.845
   15   2HB   ARG   2          1HB       ARG   2   6.080  -0.618  -6.948
   16   1HG   ARG   2          2HG       ARG   2   7.486  -1.979  -8.192
   17   2HG   ARG   2          1HG       ARG   2   5.996  -1.963  -9.136
   18   1HD   ARG   2          2HD       ARG   2   7.619  -1.625 -10.749
   19   2HD   ARG   2          1HD       ARG   2   7.098   0.019 -10.382
   20    HE   ARG   2           HE       ARG   2   9.633  -1.233  -9.596
   21   1HH1  ARG   2          1HH1      ARG   2   7.583   1.586  -9.701
   22   2HH1  ARG   2          2HH1      ARG   2   8.850   2.699  -9.315
   23   1HH2  ARG   2          1HH2      ARG   2  11.337   0.230  -9.118
   24   2HH2  ARG   2          2HH2      ARG   2  10.993   1.936  -9.014
   25    H    ILE   3           H        ILE   3   3.075  -0.653  -7.295
   26    HA   ILE   3           HA       ILE   3   2.906   1.406  -5.229
   27    HB   ILE   3           HB       ILE   3   1.328   2.151  -6.910
   28   1HG1  ILE   3          2HG1      ILE   3  -0.126   0.871  -4.582
   29   2HG1  ILE   3          1HG1      ILE   3   0.718   2.413  -4.530
   30   1HG2  ILE   3          1HG2      ILE   3   0.057  -0.571  -6.673
   31   2HG2  ILE   3          2HG2      ILE   3   0.967   0.044  -8.056
   32   3HG2  ILE   3          3HG2      ILE   3  -0.571   0.786  -7.611
   33   1HD1  ILE   3          1HD1      ILE   3  -1.687   1.772  -6.215
   34   2HD1  ILE   3          2HD1      ILE   3  -0.837   3.317  -6.177
   35   3HD1  ILE   3          3HD1      ILE   3  -1.670   2.732  -4.736
   36    H    PHE   4           H        PHE   4   1.954   0.712  -3.303
   37    HA   PHE   4           HA       PHE   4   1.983  -2.192  -2.978
   38   1HB   PHE   4          2HB       PHE   4   3.450  -0.842  -1.529
   39   2HB   PHE   4          1HB       PHE   4   2.052   0.034  -0.927
   40    HD1  PHE   4           HD1      PHE   4   0.750  -0.817   0.839
   41    HD2  PHE   4           HD2      PHE   4   3.689  -3.267  -1.024
   42    HE1  PHE   4           HE1      PHE   4   0.495  -2.479   2.634
   43    HE2  PHE   4           HE2      PHE   4   3.441  -4.933   0.766
   44    HZ   PHE   4           HZ       PHE   4   1.843  -4.538   2.601
   45    H    VAL   5           H        VAL   5   0.067  -3.150  -3.169
   46    HA   VAL   5           HA       VAL   5  -2.353  -1.680  -2.426
   47    HB   VAL   5           HB       VAL   5  -1.975  -4.240  -3.987
   48   1HG1  VAL   5          1HG1      VAL   5  -4.402  -4.244  -4.322
   49   2HG1  VAL   5          2HG1      VAL   5  -4.560  -2.862  -3.240
   50   3HG1  VAL   5          3HG1      VAL   5  -4.002  -4.414  -2.612
   51   1HG2  VAL   5          1HG2      VAL   5  -1.462  -2.209  -5.209
   52   2HG2  VAL   5          2HG2      VAL   5  -3.007  -1.508  -4.727
   53   3HG2  VAL   5          3HG2      VAL   5  -2.970  -2.906  -5.803
   54    H    TYR   6           H        TYR   6  -3.296  -2.018  -0.569
   55    HA   TYR   6           HA       TYR   6  -2.403  -4.104   1.197
   56   1HB   TYR   6          2HB       TYR   6  -4.396  -2.966   2.586
   57   2HB   TYR   6          1HB       TYR   6  -2.783  -2.272   2.487
   58    HD1  TYR   6           HD1      TYR   6  -2.714   0.002   2.122
   59    HD2  TYR   6           HD2      TYR   6  -5.920  -2.224   0.432
   60    HE1  TYR   6           HE1      TYR   6  -3.660   2.076   1.195
   61    HE2  TYR   6           HE2      TYR   6  -6.872  -0.162  -0.493
   62    HH   TYR   6           HH       TYR   6  -6.784   2.305   0.083
   63    H    GLY   7           H        GLY   7  -3.186  -5.742  -0.411
   64   1HA   GLY   7          2HA       GLY   7  -4.454  -7.655  -0.488
   65   2HA   GLY   7          1HA       GLY   7  -5.439  -7.009   0.809
   66    H    SER   8           H        SER   8  -7.272  -5.813   0.333
   67    HA   SER   8           HA       SER   8  -8.805  -6.534  -1.833
   68   1HB   SER   8          2HB       SER   8 -10.191  -4.512  -1.288
   69   2HB   SER   8          1HB       SER   8  -9.806  -5.511   0.113
   70    HG   SER   8           HG       SER   8  -7.907  -3.953   0.260
   71    H    LEU   9           H        LEU   9  -8.435  -6.244  -3.921
   72    HA   LEU   9           HA       LEU   9  -6.808  -3.990  -4.811
   73   1HB   LEU   9          2HB       LEU   9  -6.270  -6.262  -5.591
   74   2HB   LEU   9          1HB       LEU   9  -7.859  -6.388  -6.320
   75    HG   LEU   9           HG       LEU   9  -7.257  -4.505  -7.844
   76   1HD1  LEU   9          1HD1      LEU   9  -5.555  -3.448  -6.467
   77   2HD1  LEU   9          2HD1      LEU   9  -4.906  -3.873  -8.051
   78   3HD1  LEU   9          3HD1      LEU   9  -4.517  -4.862  -6.642
   79   1HD2  LEU   9          1HD2      LEU   9  -5.437  -6.909  -7.902
   80   2HD2  LEU   9          2HD2      LEU   9  -5.758  -5.834  -9.262
   81   3HD2  LEU   9          3HD2      LEU   9  -7.061  -6.809  -8.583
   82    H    ARG  10           H        ARG  10 -10.058  -5.012  -4.704
   83    HA   ARG  10           HA       ARG  10 -11.262  -4.130  -6.987
   84   1HB   ARG  10          2HB       ARG  10 -12.429  -3.745  -4.227
   85   2HB   ARG  10          1HB       ARG  10 -13.315  -3.949  -5.732
   86   1HG   ARG  10          2HG       ARG  10 -11.548  -6.041  -4.474
   87   2HG   ARG  10          1HG       ARG  10 -13.305  -5.973  -4.330
   88   1HD   ARG  10          2HD       ARG  10 -11.870  -6.128  -6.972
   89   2HD   ARG  10          1HD       ARG  10 -12.397  -7.551  -6.076
   90    HE   ARG  10           HE       ARG  10 -14.684  -6.221  -6.229
   91   1HH1  ARG  10          1HH1      ARG  10 -12.245  -6.677  -8.706
   92   2HH1  ARG  10          2HH1      ARG  10 -13.401  -6.754 -10.005
   93   1HH2  ARG  10          1HH2      ARG  10 -16.202  -6.301  -7.958
   94   2HH2  ARG  10          2HH2      ARG  10 -15.633  -6.546  -9.580
   95    H    HIS  11           H        HIS  11 -11.826  -2.143  -4.141
   96    HA   HIS  11           HA       HIS  11 -11.914   0.083  -3.767
   97   1HB   HIS  11          2HB       HIS  11  -9.775   0.270  -5.897
   98   2HB   HIS  11          1HB       HIS  11 -10.187   1.520  -4.731
   99    HD1  HIS  11           HD1      HIS  11  -7.389  -0.013  -5.116
  100    HD2  HIS  11           HD2      HIS  11 -10.185  -0.615  -2.104
  101    HE1  HIS  11           HE1      HIS  11  -6.102  -0.973  -3.187
  102    HE2  HIS  11           HE2      HIS  11  -7.875  -1.615  -1.521
  103    H    LYS  12           H        LYS  12 -10.919   0.903  -6.968
  104    HA   LYS  12           HA       LYS  12 -13.644   1.447  -7.845
  105   1HB   LYS  12          2HB       LYS  12 -11.508   3.552  -7.474
  106   2HB   LYS  12          1HB       LYS  12 -12.917   3.790  -8.494
  107   1HG   LYS  12          2HG       LYS  12 -14.381   3.593  -6.590
  108   2HG   LYS  12          1HG       LYS  12 -13.013   3.204  -5.544
  109   1HD   LYS  12          2HD       LYS  12 -13.730   5.558  -5.341
  110   2HD   LYS  12          1HD       LYS  12 -12.064   5.398  -5.896
  111   1HE   LYS  12          2HE       LYS  12 -13.113   7.107  -7.199
  112   2HE   LYS  12          1HE       LYS  12 -12.897   5.698  -8.235
  113   1HZ   LYS  12          1HZ       LYS  12 -15.407   6.638  -6.961
  114   2HZ   LYS  12          2HZ       LYS  12 -15.264   5.129  -7.720
  115   3HZ   LYS  12          3HZ       LYS  12 -15.055   6.556  -8.618
  116    H    GLN  13           H        GLN  13 -13.643   0.411  -9.756
  117    HA   GLN  13           HA       GLN  13 -11.669   1.308 -11.710
  118   1HB   GLN  13          2HB       GLN  13 -11.106  -1.025 -10.724
  119   2HB   GLN  13          1HB       GLN  13 -12.478  -1.588 -11.666
  120   1HG   GLN  13          2HG       GLN  13 -10.162  -0.091 -12.864
  121   2HG   GLN  13          1HG       GLN  13 -10.216  -1.846 -12.737
  122   1HE2  GLN  13          1HE2      GLN  13 -10.145  -0.013 -15.071
  123   2HE2  GLN  13          2HE2      GLN  13 -11.503  -0.462 -16.047
  124    H    GLY  14           H        GLY  14 -12.899   2.397 -13.036
  125   1HA   GLY  14          2HA       GLY  14 -14.999   0.925 -14.445
  126   2HA   GLY  14          1HA       GLY  14 -15.424   2.476 -13.733
  127    H    ASN  15           H        ASN  15 -12.526   3.282 -14.329
  128    HA   ASN  15           HA       ASN  15 -12.476   3.526 -17.194
  129   1HB   ASN  15          2HB       ASN  15 -12.752   5.951 -17.316
  130   2HB   ASN  15          1HB       ASN  15 -14.198   5.201 -16.653
  131   1HD2  ASN  15          1HD2      ASN  15 -11.521   7.301 -16.043
  132   2HD2  ASN  15          2HD2      ASN  15 -12.052   7.870 -14.495
  133    H    SER  16           H        SER  16 -11.165   4.253 -14.057
  134    HA   SER  16           HA       SER  16  -8.828   5.589 -14.893
  135   1HB   SER  16          2HB       SER  16  -9.200   3.943 -12.385
  136   2HB   SER  16          1HB       SER  16  -8.068   5.271 -12.633
  137    HG   SER  16           HG       SER  16  -9.656   6.699 -12.453
  138    H    HIS  17           H        HIS  17  -6.644   4.782 -14.659
  139    HA   HIS  17           HA       HIS  17  -6.198   2.381 -16.164
  140   1HB   HIS  17          2HB       HIS  17  -4.380   4.330 -14.751
  141   2HB   HIS  17          1HB       HIS  17  -3.763   2.909 -15.582
  142    HD1  HIS  17           HD1      HIS  17  -5.264   6.289 -16.202
  143    HD2  HIS  17           HD2      HIS  17  -3.803   3.039 -18.365
  144    HE1  HIS  17           HE1      HIS  17  -5.014   7.094 -18.571
  145    HE2  HIS  17           HE2      HIS  17  -3.885   5.197 -19.787
  146    H    TRP  18           H        TRP  18  -7.296   2.455 -13.229
  147    HA   TRP  18           HA       TRP  18  -5.469   1.435 -11.444
  148   1HB   TRP  18          2HB       TRP  18  -7.725   2.263 -10.847
  149   2HB   TRP  18          1HB       TRP  18  -8.431   0.807 -11.547
  150    HD1  TRP  18           HD1      TRP  18  -9.225  -0.620  -9.562
  151    HE1  TRP  18           HE1      TRP  18  -8.182  -1.448  -7.355
  152    HE3  TRP  18           HE3      TRP  18  -4.799   1.928  -9.774
  153    HZ2  TRP  18           HZ2      TRP  18  -5.790  -1.055  -5.898
  154    HZ3  TRP  18           HZ3      TRP  18  -3.184   1.645  -7.932
  155    HH2  TRP  18           HH2      TRP  18  -3.670   0.186  -6.036
  156    H    MET  19           H        MET  19  -7.877  -0.521 -13.229
  157    HA   MET  19           HA       MET  19  -5.968  -2.750 -13.028
  158   1HB   MET  19          2HB       MET  19  -8.283  -2.802 -11.707
  159   2HB   MET  19          1HB       MET  19  -8.880  -3.334 -13.274
  160   1HG   MET  19          2HG       MET  19  -6.733  -4.645 -11.622
  161   2HG   MET  19          1HG       MET  19  -8.364  -5.242 -11.909
  162   1HE   MET  19          1HE       MET  19  -6.032  -7.775 -13.832
  163   2HE   MET  19          2HE       MET  19  -7.256  -7.601 -12.575
  164   3HE   MET  19          3HE       MET  19  -5.644  -6.929 -12.334
  165    H    THR  20           H        THR  20  -5.093  -2.399 -14.996
  166    HA   THR  20           HA       THR  20  -6.695  -3.296 -17.251
  167    HB   THR  20           HB       THR  20  -5.069  -0.743 -17.389
  168    HG1  THR  20           HG1      THR  20  -7.717  -1.250 -16.781
  169   1HG2  THR  20          1HG2      THR  20  -5.090  -1.950 -19.502
  170   2HG2  THR  20          2HG2      THR  20  -6.103  -0.510 -19.619
  171   3HG2  THR  20          3HG2      THR  20  -6.844  -2.100 -19.425
  172    H    ASN  21           H        ASN  21  -3.522  -2.235 -16.083
  173    HA   ASN  21           HA       ASN  21  -2.331  -4.512 -17.510
  174   1HB   ASN  21          2HB       ASN  21  -0.297  -3.139 -17.900
  175   2HB   ASN  21          1HB       ASN  21  -1.706  -2.532 -18.761
  176   1HD2  ASN  21          1HD2      ASN  21  -2.622  -0.588 -18.141
  177   2HD2  ASN  21          2HD2      ASN  21  -1.783   0.539 -17.131
  178    H    ALA  22           H        ALA  22  -3.276  -4.088 -14.761
  179    HA   ALA  22           HA       ALA  22  -1.122  -3.665 -12.996
  180   1HB   ALA  22          1HB       ALA  22  -2.555  -4.671 -11.287
  181   2HB   ALA  22          2HB       ALA  22  -3.666  -5.221 -12.543
  182   3HB   ALA  22          3HB       ALA  22  -3.435  -3.495 -12.263
  183    H    GLN  23           H        GLN  23   0.671  -4.832 -13.121
  184    HA   GLN  23           HA       GLN  23   0.511  -7.684 -13.744
  185   1HB   GLN  23          2HB       GLN  23   2.065  -6.262 -15.048
  186   2HB   GLN  23          1HB       GLN  23   2.909  -5.843 -13.564
  187   1HG   GLN  23          2HG       GLN  23   3.469  -8.234 -13.256
  188   2HG   GLN  23          1HG       GLN  23   2.723  -8.572 -14.816
  189   1HE2  GLN  23          1HE2      GLN  23   5.467  -8.969 -13.954
  190   2HE2  GLN  23          2HE2      GLN  23   6.456  -8.039 -15.033
  191    H    LEU  24           H        LEU  24   0.613  -9.117 -12.168
  192    HA   LEU  24           HA       LEU  24   1.099  -8.321  -9.477
  193   1HB   LEU  24          2HB       LEU  24  -0.527 -10.059  -9.933
  194   2HB   LEU  24          1HB       LEU  24   0.692 -11.052 -10.710
  195    HG   LEU  24           HG       LEU  24   1.853 -11.288  -8.536
  196   1HD1  LEU  24          1HD1      LEU  24   0.708 -10.616  -6.484
  197   2HD1  LEU  24          2HD1      LEU  24  -0.538  -9.816  -7.441
  198   3HD1  LEU  24          3HD1      LEU  24   1.121  -9.220  -7.480
  199   1HD2  LEU  24          1HD2      LEU  24  -1.056 -12.084  -8.484
  200   2HD2  LEU  24          2HD2      LEU  24   0.239 -12.810  -7.531
  201   3HD2  LEU  24          3HD2      LEU  24   0.239 -12.971  -9.287
  202    H    LEU  25           H        LEU  25   3.111  -7.775  -8.938
  203    HA   LEU  25           HA       LEU  25   5.408  -9.207  -9.929
  204   1HB   LEU  25          2HB       LEU  25   5.144  -7.073  -7.808
  205   2HB   LEU  25          1HB       LEU  25   6.665  -7.709  -8.397
  206    HG   LEU  25           HG       LEU  25   4.647  -6.172 -10.033
  207   1HD1  LEU  25          1HD1      LEU  25   7.346  -5.406  -8.936
  208   2HD1  LEU  25          2HD1      LEU  25   5.782  -4.734  -8.473
  209   3HD1  LEU  25          3HD1      LEU  25   6.420  -4.453 -10.093
  210   1HD2  LEU  25          1HD2      LEU  25   7.372  -7.230 -10.779
  211   2HD2  LEU  25          2HD2      LEU  25   6.354  -6.201 -11.787
  212   3HD2  LEU  25          3HD2      LEU  25   5.826  -7.834 -11.376
  213    H    GLY  26           H        GLY  26   3.723  -8.829  -6.837
  214   1HA   GLY  26          2HA       GLY  26   3.625 -11.413  -6.054
  215   2HA   GLY  26          1HA       GLY  26   5.254 -10.935  -5.590
  216    H    ASP  27           H        ASP  27   3.189 -11.717  -3.772
  217    HA   ASP  27           HA       ASP  27   2.163  -9.293  -2.624
  218   1HB   ASP  27          2HB       ASP  27   1.267 -10.625  -0.831
  219   2HB   ASP  27          1HB       ASP  27   0.919 -11.400  -2.359
  220    H    PHE  28           H        PHE  28   2.576  -8.620  -0.510
  221    HA   PHE  28           HA       PHE  28   5.127  -9.338   0.675
  222   1HB   PHE  28          2HB       PHE  28   5.711  -7.656  -1.042
  223   2HB   PHE  28          1HB       PHE  28   4.595  -6.521  -0.298
  224    HD1  PHE  28           HD1      PHE  28   6.923  -8.790   1.489
  225    HD2  PHE  28           HD2      PHE  28   6.068  -4.803   0.272
  226    HE1  PHE  28           HE1      PHE  28   8.738  -7.965   2.929
  227    HE2  PHE  28           HE2      PHE  28   7.883  -3.972   1.711
  228    HZ   PHE  28           HZ       PHE  28   9.212  -5.550   3.046
  229    H    SER  29           H        SER  29   3.879  -9.993   2.425
  230    HA   SER  29           HA       SER  29   2.218  -8.107   3.834
  231   1HB   SER  29          2HB       SER  29   3.243 -10.853   4.616
  232   2HB   SER  29          1HB       SER  29   2.098  -9.907   5.568
  233    HG   SER  29           HG       SER  29   1.718 -11.330   3.210
  234    H    ILE  30           H        ILE  30   2.808  -6.771   5.479
  235    HA   ILE  30           HA       ILE  30   5.637  -6.916   6.298
  236    HB   ILE  30           HB       ILE  30   5.627  -4.417   6.379
  237   1HG1  ILE  30          2HG1      ILE  30   3.045  -4.771   4.842
  238   2HG1  ILE  30          1HG1      ILE  30   3.231  -4.008   6.418
  239   1HG2  ILE  30          1HG2      ILE  30   5.986  -4.135   3.987
  240   2HG2  ILE  30          2HG2      ILE  30   5.169  -5.667   3.681
  241   3HG2  ILE  30          3HG2      ILE  30   6.690  -5.644   4.573
  242   1HD1  ILE  30          1HD1      ILE  30   4.513  -2.214   5.422
  243   2HD1  ILE  30          2HD1      ILE  30   2.954  -2.379   4.614
  244   3HD1  ILE  30          3HD1      ILE  30   4.419  -2.995   3.844
  245    H    ASP  31           H        ASP  31   6.118  -6.433   8.383
  246    HA   ASP  31           HA       ASP  31   3.875  -6.470  10.233
  247   1HB   ASP  31          2HB       ASP  31   6.841  -6.919  10.549
  248   2HB   ASP  31          1HB       ASP  31   5.762  -6.772  11.928
  249    H    ASN  32           H        ASN  32   4.057  -5.133  12.197
  250    HA   ASN  32           HA       ASN  32   4.229  -3.177  13.318
  251   1HB   ASN  32          2HB       ASN  32   6.570  -2.834  11.465
  252   2HB   ASN  32          1HB       ASN  32   6.091  -1.556  12.579
  253   1HD2  ASN  32          1HD2      ASN  32   8.500  -3.250  12.450
  254   2HD2  ASN  32          2HD2      ASN  32   8.630  -3.966  14.017
  255    H    TYR  33           H        TYR  33   2.539  -3.505  10.905
  256    HA   TYR  33           HA       TYR  33   1.861  -0.654  10.751
  257   1HB   TYR  33          2HB       TYR  33   1.843  -2.557   8.402
  258   2HB   TYR  33          1HB       TYR  33   1.092  -0.973   8.396
  259    HD1  TYR  33           HD1      TYR  33   4.201  -2.807   8.107
  260    HD2  TYR  33           HD2      TYR  33   2.497   1.064   8.531
  261    HE1  TYR  33           HE1      TYR  33   6.324  -1.803   7.383
  262    HE2  TYR  33           HE2      TYR  33   4.614   2.083   7.810
  263    HH   TYR  33           HH       TYR  33   7.126   0.295   6.381
  264    H    GLN  34           H        GLN  34  -0.414  -0.269  10.304
  265    HA   GLN  34           HA       GLN  34  -2.114  -2.581  10.968
  266   1HB   GLN  34          2HB       GLN  34  -2.596   0.243  11.930
  267   2HB   GLN  34          1HB       GLN  34  -3.474  -1.214  12.393
  268   1HG   GLN  34          2HG       GLN  34  -1.610  -2.048  13.608
  269   2HG   GLN  34          1HG       GLN  34  -0.557  -0.781  12.980
  270   1HE2  GLN  34          1HE2      GLN  34  -0.713   1.303  13.815
  271   2HE2  GLN  34          2HE2      GLN  34  -1.549   1.639  15.289
  272    H    LEU  35           H        LEU  35  -4.310  -2.434  10.132
  273    HA   LEU  35           HA       LEU  35  -4.408  -0.741   7.714
  274   1HB   LEU  35          2HB       LEU  35  -4.001  -3.164   7.276
  275   2HB   LEU  35          1HB       LEU  35  -5.529  -3.529   8.050
  276    HG   LEU  35           HG       LEU  35  -6.694  -2.221   6.290
  277   1HD1  LEU  35          1HD1      LEU  35  -4.903  -0.718   5.655
  278   2HD1  LEU  35          2HD1      LEU  35  -5.439  -1.643   4.251
  279   3HD1  LEU  35          3HD1      LEU  35  -3.940  -2.074   5.072
  280   1HD2  LEU  35          1HD2      LEU  35  -6.412  -3.878   4.528
  281   2HD2  LEU  35          2HD2      LEU  35  -6.450  -4.647   6.116
  282   3HD2  LEU  35          3HD2      LEU  35  -4.915  -4.432   5.275
  283    H    TYR  36           H        TYR  36  -6.101   0.597   7.603
  284    HA   TYR  36           HA       TYR  36  -8.320   0.220   9.481
  285   1HB   TYR  36          2HB       TYR  36  -7.625   2.578   7.719
  286   2HB   TYR  36          1HB       TYR  36  -8.962   2.524   8.863
  287    HD1  TYR  36           HD1      TYR  36  -5.400   2.987   8.435
  288    HD2  TYR  36           HD2      TYR  36  -8.505   2.459  11.293
  289    HE1  TYR  36           HE1      TYR  36  -3.906   3.812  10.194
  290    HE2  TYR  36           HE2      TYR  36  -7.016   3.280  13.068
  291    HH   TYR  36           HH       TYR  36  -4.081   4.845  12.419
  292    H    SER  37           H        SER  37 -10.348  -0.230   8.856
  293    HA   SER  37           HA       SER  37 -10.884  -0.356   5.968
  294   1HB   SER  37          2HB       SER  37 -12.781  -1.903   6.654
  295   2HB   SER  37          1HB       SER  37 -11.154  -2.538   6.906
  296    HG   SER  37           HG       SER  37 -11.473  -1.589   9.133
  297    H    LEU  38           H        LEU  38 -11.690   1.553   5.437
  298    HA   LEU  38           HA       LEU  38 -13.746   2.753   7.152
  299   1HB   LEU  38          2HB       LEU  38 -13.241   4.844   5.803
  300   2HB   LEU  38          1HB       LEU  38 -12.011   4.301   6.917
  301    HG   LEU  38           HG       LEU  38 -11.794   3.486   4.058
  302   1HD1  LEU  38          1HD1      LEU  38 -10.992   6.184   5.154
  303   2HD1  LEU  38          2HD1      LEU  38 -12.275   5.887   3.979
  304   3HD1  LEU  38          3HD1      LEU  38 -10.595   5.553   3.554
  305   1HD2  LEU  38          1HD2      LEU  38  -9.772   4.253   6.163
  306   2HD2  LEU  38          2HD2      LEU  38  -9.420   3.594   4.564
  307   3HD2  LEU  38          3HD2      LEU  38 -10.250   2.604   5.764
  308    H    GLY  39           H        GLY  39 -13.635   0.788   4.633
  309   1HA   GLY  39          2HA       GLY  39 -15.329   0.202   3.142
  310   2HA   GLY  39          1HA       GLY  39 -16.157   1.704   3.536
  311    H    HIS  40           H        HIS  40 -15.721   0.613   0.904
  312    HA   HIS  40           HA       HIS  40 -15.180   1.317  -1.195
  313   1HB   HIS  40          2HB       HIS  40 -14.066   3.814   0.108
  314   2HB   HIS  40          1HB       HIS  40 -14.416   3.600  -1.601
  315    HD1  HIS  40           HD1      HIS  40 -16.004   4.366   1.670
  316    HD2  HIS  40           HD2      HIS  40 -17.132   3.750  -2.282
  317    HE1  HIS  40           HE1      HIS  40 -18.372   5.195   1.513
  318    HE2  HIS  40           HE2      HIS  40 -19.004   4.922  -0.912
  319    H    TYR  41           H        TYR  41 -12.654   2.272   1.087
  320    HA   TYR  41           HA       TYR  41 -10.663   0.654  -0.211
  321   1HB   TYR  41          2HB       TYR  41  -9.163   2.746  -0.504
  322   2HB   TYR  41          1HB       TYR  41 -10.390   2.428  -1.723
  323    HD1  TYR  41           HD1      TYR  41  -9.711   4.471   1.323
  324    HD2  TYR  41           HD2      TYR  41 -12.010   4.044  -2.236
  325    HE1  TYR  41           HE1      TYR  41 -10.615   6.730   1.641
  326    HE2  TYR  41           HE2      TYR  41 -12.917   6.303  -1.921
  327    HH   TYR  41           HH       TYR  41 -13.305   7.863   0.075
  328    HA   PRO  42           HA       PRO  42  -9.348   0.874   4.065
  329   1HB   PRO  42          2HB       PRO  42  -7.077  -0.758   3.187
  330   2HB   PRO  42          1HB       PRO  42  -8.369  -1.158   4.322
  331   1HG   PRO  42          2HG       PRO  42  -8.199  -2.304   1.887
  332   2HG   PRO  42          1HG       PRO  42  -9.756  -1.964   2.668
  333   1HD   PRO  42          2HD       PRO  42  -8.338  -0.418   0.523
  334   2HD   PRO  42          1HD       PRO  42 -10.060  -0.837   0.658
  335    H    GLY  43           H        GLY  43  -7.169   1.198   5.162
  336   1HA   GLY  43          2HA       GLY  43  -5.183   2.677   3.618
  337   2HA   GLY  43          1HA       GLY  43  -6.008   3.573   4.893
  338    H    ALA  44           H        ALA  44  -3.221   3.151   5.013
  339    HA   ALA  44           HA       ALA  44  -3.062   1.191   7.198
  340   1HB   ALA  44          1HB       ALA  44  -2.197   0.140   5.166
  341   2HB   ALA  44          2HB       ALA  44  -0.928   0.375   6.367
  342   3HB   ALA  44          3HB       ALA  44  -1.039   1.458   4.982
  343    H    VAL  45           H        VAL  45  -1.281   1.481   8.654
  344    HA   VAL  45           HA       VAL  45   0.235   3.964   8.533
  345    HB   VAL  45           HB       VAL  45  -0.344   4.678  10.798
  346   1HG1  VAL  45          1HG1      VAL  45  -1.514   5.815   9.072
  347   2HG1  VAL  45          2HG1      VAL  45  -2.659   5.506  10.378
  348   3HG1  VAL  45          3HG1      VAL  45  -2.686   4.510   8.921
  349   1HG2  VAL  45          1HG2      VAL  45  -2.310   3.739  11.952
  350   2HG2  VAL  45          2HG2      VAL  45  -1.001   2.573  11.757
  351   3HG2  VAL  45          3HG2      VAL  45  -2.415   2.493  10.708
  352    HA   PRO  46           HA       PRO  46   3.212   1.473  10.778
  353   1HB   PRO  46          2HB       PRO  46   3.825   3.769  12.521
  354   2HB   PRO  46          1HB       PRO  46   4.873   2.910  11.391
  355   1HG   PRO  46          2HG       PRO  46   3.994   5.392  10.884
  356   2HG   PRO  46          1HG       PRO  46   4.203   4.196   9.590
  357   1HD   PRO  46          2HD       PRO  46   1.693   5.077  10.971
  358   2HD   PRO  46          1HD       PRO  46   1.976   4.765   9.246
  359    H    GLY  47           H        GLY  47   3.670   0.569  12.885
  360   1HA   GLY  47          2HA       GLY  47   2.673   1.158  15.331
  361   2HA   GLY  47          1HA       GLY  47   1.308   0.382  14.536
  362    H    ASN  48           H        ASN  48   1.163  -1.635  15.294
  363    HA   ASN  48           HA       ASN  48   3.449  -3.380  14.867
  364   1HB   ASN  48          2HB       ASN  48   3.528  -2.648  17.278
  365   2HB   ASN  48          1HB       ASN  48   1.964  -3.426  17.501
  366   1HD2  ASN  48          1HD2      ASN  48   4.667  -4.577  15.524
  367   2HD2  ASN  48          2HD2      ASN  48   4.934  -6.029  16.431
  368    H    GLY  49           H        GLY  49   2.276  -4.214  13.175
  369   1HA   GLY  49          2HA       GLY  49   0.530  -6.368  13.824
  370   2HA   GLY  49          1HA       GLY  49  -0.341  -5.035  13.072
  371    H    THR  50           H        THR  50  -0.322  -7.386  11.740
  372    HA   THR  50           HA       THR  50   1.849  -7.204   9.771
  373    HB   THR  50           HB       THR  50  -0.155  -9.440   9.928
  374    HG1  THR  50           HG1      THR  50   1.703  -8.749  11.805
  375   1HG2  THR  50          1HG2      THR  50   1.701 -10.736   8.992
  376   2HG2  THR  50          2HG2      THR  50   2.728  -9.303   9.039
  377   3HG2  THR  50          3HG2      THR  50   1.321  -9.344   7.976
  378    H    VAL  51           H        VAL  51   1.330  -5.982   8.023
  379    HA   VAL  51           HA       VAL  51  -1.463  -6.013   7.116
  380    HB   VAL  51           HB       VAL  51   0.822  -4.180   6.365
  381   1HG1  VAL  51          1HG1      VAL  51  -2.034  -4.176   5.377
  382   2HG1  VAL  51          2HG1      VAL  51  -0.608  -4.576   4.420
  383   3HG1  VAL  51          3HG1      VAL  51  -0.825  -2.937   5.033
  384   1HG2  VAL  51          1HG2      VAL  51  -0.547  -2.463   7.435
  385   2HG2  VAL  51          2HG2      VAL  51  -0.146  -3.759   8.563
  386   3HG2  VAL  51          3HG2      VAL  51  -1.756  -3.679   7.845
  387    H    HIS  52           H        HIS  52  -1.949  -7.479   5.668
  388    HA   HIS  52           HA       HIS  52   0.066  -8.728   4.044
  389   1HB   HIS  52          2HB       HIS  52  -2.946  -9.013   4.071
  390   2HB   HIS  52          1HB       HIS  52  -1.857 -10.012   3.129
  391    HD1  HIS  52           HD1      HIS  52  -0.117 -11.477   4.622
  392    HD2  HIS  52           HD2      HIS  52  -3.432  -9.920   6.583
  393    HE1  HIS  52           HE1      HIS  52  -0.354 -12.830   6.729
  394    HE2  HIS  52           HE2      HIS  52  -2.496 -12.014   7.779
  395    H    GLY  53           H        GLY  53   0.885  -7.543   2.426
  396   1HA   GLY  53          2HA       GLY  53  -1.027  -5.988   0.802
  397   2HA   GLY  53          1HA       GLY  53   0.625  -5.477   1.112
  398    H    GLU  54           H        GLU  54  -0.277  -5.562  -1.412
  399    HA   GLU  54           HA       GLU  54   1.281  -7.783  -2.541
  400   1HB   GLU  54          2HB       GLU  54  -1.208  -6.594  -3.777
  401   2HB   GLU  54          1HB       GLU  54  -0.269  -7.944  -4.397
  402   1HG   GLU  54          2HG       GLU  54  -0.940  -9.328  -2.562
  403   2HG   GLU  54          1HG       GLU  54  -1.740  -7.969  -1.776
  404    H    VAL  55           H        VAL  55   2.891  -7.098  -3.833
  405    HA   VAL  55           HA       VAL  55   2.943  -4.261  -4.543
  406    HB   VAL  55           HB       VAL  55   5.097  -6.359  -4.897
  407   1HG1  VAL  55          1HG1      VAL  55   6.595  -4.436  -5.243
  408   2HG1  VAL  55          2HG1      VAL  55   5.204  -3.355  -5.187
  409   3HG1  VAL  55          3HG1      VAL  55   5.350  -4.537  -6.490
  410   1HG2  VAL  55          1HG2      VAL  55   4.709  -4.235  -2.789
  411   2HG2  VAL  55          2HG2      VAL  55   6.173  -5.200  -2.986
  412   3HG2  VAL  55          3HG2      VAL  55   4.652  -5.982  -2.555
  413    H    TYR  56           H        TYR  56   2.201  -3.601  -6.416
  414    HA   TYR  56           HA       TYR  56   2.135  -5.503  -8.671
  415   1HB   TYR  56          2HB       TYR  56   0.150  -3.490  -7.701
  416   2HB   TYR  56          1HB       TYR  56   0.237  -3.820  -9.426
  417    HD1  TYR  56           HD1      TYR  56  -0.469  -5.311  -6.123
  418    HD2  TYR  56           HD2      TYR  56  -0.625  -5.823 -10.338
  419    HE1  TYR  56           HE1      TYR  56  -1.916  -7.276  -5.827
  420    HE2  TYR  56           HE2      TYR  56  -2.071  -7.786 -10.058
  421    HH   TYR  56           HH       TYR  56  -3.537  -8.582  -7.070
  422    H    ARG  57           H        ARG  57   2.450  -4.693 -10.770
  423    HA   ARG  57           HA       ARG  57   3.846  -2.104 -10.881
  424   1HB   ARG  57          2HB       ARG  57   5.020  -4.270 -11.642
  425   2HB   ARG  57          1HB       ARG  57   3.936  -4.218 -13.028
  426   1HG   ARG  57          2HG       ARG  57   4.801  -1.852 -13.405
  427   2HG   ARG  57          1HG       ARG  57   6.073  -2.264 -12.254
  428   1HD   ARG  57          2HD       ARG  57   7.060  -2.776 -14.278
  429   2HD   ARG  57          1HD       ARG  57   6.418  -4.339 -13.772
  430    HE   ARG  57           HE       ARG  57   4.411  -3.236 -15.270
  431   1HH1  ARG  57          1HH1      ARG  57   7.799  -3.986 -15.811
  432   2HH1  ARG  57          2HH1      ARG  57   7.605  -4.204 -17.521
  433   1HH2  ARG  57          1HH2      ARG  57   4.168  -3.485 -17.535
  434   2HH2  ARG  57          2HH2      ARG  57   5.557  -3.891 -18.505
  435    H    ILE  58           H        ILE  58   2.950  -0.495 -11.992
  436    HA   ILE  58           HA       ILE  58   1.022  -1.059 -14.104
  437    HB   ILE  58           HB       ILE  58  -0.326   0.981 -13.114
  438   1HG1  ILE  58          2HG1      ILE  58  -0.499   0.685 -10.588
  439   2HG1  ILE  58          1HG1      ILE  58   1.016  -0.205 -10.678
  440   1HG2  ILE  58          1HG2      ILE  58  -0.618  -1.821 -12.048
  441   2HG2  ILE  58          2HG2      ILE  58  -1.251  -1.219 -13.580
  442   3HG2  ILE  58          3HG2      ILE  58  -1.874  -0.583 -12.057
  443   1HD1  ILE  58          1HD1      ILE  58   1.400   2.083 -10.013
  444   2HD1  ILE  58          2HD1      ILE  58   0.584   2.666 -11.465
  445   3HD1  ILE  58          3HD1      ILE  58   2.106   1.786 -11.602
  446    H    ASP  59           H        ASP  59   0.439   1.085 -15.247
  447    HA   ASP  59           HA       ASP  59   2.672   2.340 -16.267
  448   1HB   ASP  59          2HB       ASP  59  -0.081   3.565 -15.968
  449   2HB   ASP  59          1HB       ASP  59   1.185   4.155 -17.034
  450    H    ASN  60           H        ASN  60   3.890   4.116 -15.755
  451    HA   ASN  60           HA       ASN  60   4.105   5.072 -13.144
  452   1HB   ASN  60          2HB       ASN  60   4.857   6.397 -15.770
  453   2HB   ASN  60          1HB       ASN  60   5.290   7.053 -14.195
  454   1HD2  ASN  60          1HD2      ASN  60   7.487   6.861 -14.667
  455   2HD2  ASN  60          2HD2      ASN  60   8.289   5.329 -14.662
  456    H    ALA  61           H        ALA  61   2.238   6.217 -15.884
  457    HA   ALA  61           HA       ALA  61   1.260   8.615 -14.809
  458   1HB   ALA  61          1HB       ALA  61  -0.422   8.504 -16.585
  459   2HB   ALA  61          2HB       ALA  61   0.018   6.824 -16.897
  460   3HB   ALA  61          3HB       ALA  61   1.187   8.112 -17.189
  461    H    THR  62           H        THR  62   0.042   5.294 -14.624
  462    HA   THR  62           HA       THR  62  -2.493   5.744 -13.578
  463    HB   THR  62           HB       THR  62  -0.613   3.499 -12.814
  464    HG1  THR  62           HG1      THR  62  -2.044   2.525 -14.608
  465   1HG2  THR  62          1HG2      THR  62  -2.698   2.212 -12.509
  466   2HG2  THR  62          2HG2      THR  62  -3.629   3.675 -12.828
  467   3HG2  THR  62          3HG2      THR  62  -2.593   3.583 -11.405
  468    H    LEU  63           H        LEU  63   0.626   5.707 -11.994
  469    HA   LEU  63           HA       LEU  63  -0.311   5.741  -9.315
  470   1HB   LEU  63          2HB       LEU  63   2.118   5.416 -10.526
  471   2HB   LEU  63          1HB       LEU  63   2.271   7.042  -9.891
  472    HG   LEU  63           HG       LEU  63   3.174   5.256  -8.402
  473   1HD1  LEU  63          1HD1      LEU  63   2.231   6.131  -6.357
  474   2HD1  LEU  63          2HD1      LEU  63   0.887   6.838  -7.256
  475   3HD1  LEU  63          3HD1      LEU  63   2.530   7.426  -7.515
  476   1HD2  LEU  63          1HD2      LEU  63   1.511   3.537  -8.864
  477   2HD2  LEU  63          2HD2      LEU  63   0.269   4.517  -8.088
  478   3HD2  LEU  63          3HD2      LEU  63   1.611   3.880  -7.137
  479    H    ALA  64           H        ALA  64   0.944   8.247 -11.495
  480    HA   ALA  64           HA       ALA  64   0.414  10.451  -9.823
  481   1HB   ALA  64          1HB       ALA  64   0.497  10.400 -12.838
  482   2HB   ALA  64          2HB       ALA  64   1.902  10.529 -11.786
  483   3HB   ALA  64          3HB       ALA  64   0.696  11.816 -11.805
  484    H    GLU  65           H        GLU  65  -1.584   8.598 -11.978
  485    HA   GLU  65           HA       GLU  65  -3.745  10.423 -12.207
  486   1HB   GLU  65          2HB       GLU  65  -3.477   8.572 -13.770
  487   2HB   GLU  65          1HB       GLU  65  -3.651   7.408 -12.466
  488   1HG   GLU  65          2HG       GLU  65  -5.958   8.065 -12.148
  489   2HG   GLU  65          1HG       GLU  65  -5.799   9.305 -13.392
  490    H    LEU  66           H        LEU  66  -3.231   7.583 -10.136
  491    HA   LEU  66           HA       LEU  66  -5.587   7.831  -8.627
  492   1HB   LEU  66          2HB       LEU  66  -4.078   5.824  -8.735
  493   2HB   LEU  66          1HB       LEU  66  -2.949   6.674  -7.703
  494    HG   LEU  66           HG       LEU  66  -5.760   6.243  -6.760
  495   1HD1  LEU  66          1HD1      LEU  66  -5.029   4.055  -7.538
  496   2HD1  LEU  66          2HD1      LEU  66  -5.065   4.099  -5.774
  497   3HD1  LEU  66          3HD1      LEU  66  -3.527   4.216  -6.628
  498   1HD2  LEU  66          1HD2      LEU  66  -4.233   7.694  -5.471
  499   2HD2  LEU  66          2HD2      LEU  66  -3.110   6.344  -5.313
  500   3HD2  LEU  66          3HD2      LEU  66  -4.706   6.254  -4.567
  501    H    ASP  67           H        ASP  67  -2.358   9.196  -8.200
  502    HA   ASP  67           HA       ASP  67  -2.796  10.358  -5.680
  503   1HB   ASP  67          2HB       ASP  67  -0.820  10.736  -7.857
  504   2HB   ASP  67          1HB       ASP  67  -0.973  12.039  -6.682
  505    H    ALA  68           H        ALA  68  -3.217  11.703  -8.943
  506    HA   ALA  68           HA       ALA  68  -3.932  14.301  -8.101
  507   1HB   ALA  68          1HB       ALA  68  -4.798  14.607 -10.356
  508   2HB   ALA  68          2HB       ALA  68  -4.711  12.867 -10.636
  509   3HB   ALA  68          3HB       ALA  68  -3.233  13.796 -10.386
  510    H    LEU  69           H        LEU  69  -5.733  11.348  -8.366
  511    HA   LEU  69           HA       LEU  69  -8.295  12.663  -8.137
  512   1HB   LEU  69          2HB       LEU  69  -7.371   9.830  -8.383
  513   2HB   LEU  69          1HB       LEU  69  -9.014  10.175  -7.877
  514    HG   LEU  69           HG       LEU  69  -7.781  11.139 -10.457
  515   1HD1  LEU  69          1HD1      LEU  69  -8.021   8.719 -10.474
  516   2HD1  LEU  69          2HD1      LEU  69  -9.223   9.467 -11.528
  517   3HD1  LEU  69          3HD1      LEU  69  -9.694   8.866  -9.938
  518   1HD2  LEU  69          1HD2      LEU  69 -10.591  11.228  -9.376
  519   2HD2  LEU  69          2HD2      LEU  69 -10.123  11.673 -11.020
  520   3HD2  LEU  69          3HD2      LEU  69  -9.520  12.603  -9.646
  521    H    ARG  70           H        ARG  70  -6.348  10.481  -6.095
  522    HA   ARG  70           HA       ARG  70  -8.426  10.550  -4.086
  523   1HB   ARG  70          2HB       ARG  70  -7.313   8.438  -4.669
  524   2HB   ARG  70          1HB       ARG  70  -5.785   9.088  -4.096
  525   1HG   ARG  70          2HG       ARG  70  -6.609   9.193  -1.842
  526   2HG   ARG  70          1HG       ARG  70  -8.223   8.708  -2.369
  527   1HD   ARG  70          2HD       ARG  70  -7.276   6.564  -3.154
  528   2HD   ARG  70          1HD       ARG  70  -5.704   7.055  -2.525
  529    HE   ARG  70           HE       ARG  70  -7.770   7.151  -0.541
  530   1HH1  ARG  70          1HH1      ARG  70  -5.477   5.057  -2.154
  531   2HH1  ARG  70          2HH1      ARG  70  -5.451   3.880  -0.877
  532   1HH2  ARG  70          1HH2      ARG  70  -7.722   5.633   1.160
  533   2HH2  ARG  70          2HH2      ARG  70  -6.731   4.212   1.018
  534    H    THR  71           H        THR  71  -5.081  11.713  -4.386
  535    HA   THR  71           HA       THR  71  -5.276  12.711  -1.628
  536    HB   THR  71           HB       THR  71  -2.723  12.989  -1.913
  537    HG1  THR  71           HG1      THR  71  -2.336  10.929  -3.500
  538   1HG2  THR  71          1HG2      THR  71  -2.341  10.674  -1.219
  539   2HG2  THR  71          2HG2      THR  71  -3.954  10.238  -1.784
  540   3HG2  THR  71          3HG2      THR  71  -3.766  11.354  -0.430
  541    H    ARG  72           H        ARG  72  -3.644  13.684  -4.637
  542    HA   ARG  72           HA       ARG  72  -2.926  15.669  -5.408
  543   1HB   ARG  72          2HB       ARG  72  -5.382  16.037  -5.583
  544   2HB   ARG  72          1HB       ARG  72  -5.332  16.812  -4.008
  545   1HG   ARG  72          2HG       ARG  72  -3.924  18.566  -4.855
  546   2HG   ARG  72          1HG       ARG  72  -3.780  17.748  -6.412
  547   1HD   ARG  72          2HD       ARG  72  -5.390  19.399  -6.776
  548   2HD   ARG  72          1HD       ARG  72  -6.318  17.921  -6.535
  549    HE   ARG  72           HE       ARG  72  -6.307  18.920  -4.066
  550   1HH1  ARG  72          1HH1      ARG  72  -6.958  20.434  -7.156
  551   2HH1  ARG  72          2HH1      ARG  72  -8.018  21.635  -6.488
  552   1HH2  ARG  72          1HH2      ARG  72  -7.721  20.498  -3.181
  553   2HH2  ARG  72          2HH2      ARG  72  -8.441  21.684  -4.231
  554    H    GLY  73           H        GLY  73  -4.288  16.600  -2.256
  555   1HA   GLY  73          2HA       GLY  73  -1.885  18.162  -1.710
  556   2HA   GLY  73          1HA       GLY  73  -3.371  18.172  -0.772
  557    H    GLY  74           H        GLY  74  -3.656  16.668   0.889
  558   1HA   GLY  74          2HA       GLY  74  -1.462  14.833   1.449
  559   2HA   GLY  74          1HA       GLY  74  -1.649  16.178   2.559
  560    H    GLU  75           H        GLU  75  -4.204  14.293   0.982
  561    HA   GLU  75           HA       GLU  75  -5.638  13.773   3.346
  562   1HB   GLU  75          2HB       GLU  75  -6.559  13.577   1.032
  563   2HB   GLU  75          1HB       GLU  75  -5.589  12.131   0.799
  564   1HG   GLU  75          2HG       GLU  75  -7.823  11.467   1.285
  565   2HG   GLU  75          1HG       GLU  75  -6.814  11.070   2.673
  566    H    TYR  76           H        TYR  76  -3.193  11.973   1.591
  567    HA   TYR  76           HA       TYR  76  -2.534  10.510   4.050
  568   1HB   TYR  76          2HB       TYR  76  -2.323   9.276   1.294
  569   2HB   TYR  76          1HB       TYR  76  -2.077   8.485   2.840
  570    HD1  TYR  76           HD1      TYR  76  -3.945   7.660   4.122
  571    HD2  TYR  76           HD2      TYR  76  -4.579   9.727   0.465
  572    HE1  TYR  76           HE1      TYR  76  -6.262   6.838   4.066
  573    HE2  TYR  76           HE2      TYR  76  -6.898   8.918   0.402
  574    HH   TYR  76           HH       TYR  76  -8.458   7.564   3.018
  575    H    ALA  77           H        ALA  77  -0.264   9.914   4.121
  576    HA   ALA  77           HA       ALA  77   1.452  11.632   2.522
  577   1HB   ALA  77          1HB       ALA  77   2.152   9.652   4.686
  578   2HB   ALA  77          2HB       ALA  77   2.004  11.401   4.869
  579   3HB   ALA  77          3HB       ALA  77   3.292  10.724   3.875
  580    H    ARG  78           H        ARG  78   2.692  10.979   0.869
  581    HA   ARG  78           HA       ARG  78   2.341   8.289  -0.121
  582   1HB   ARG  78          2HB       ARG  78   3.958  10.610  -1.188
  583   2HB   ARG  78          1HB       ARG  78   3.715   9.076  -2.019
  584   1HG   ARG  78          2HG       ARG  78   1.413   9.483  -2.310
  585   2HG   ARG  78          1HG       ARG  78   1.431  10.829  -1.170
  586   1HD   ARG  78          2HD       ARG  78   2.852  12.092  -2.712
  587   2HD   ARG  78          1HD       ARG  78   2.800  10.753  -3.854
  588    HE   ARG  78           HE       ARG  78   0.318  11.118  -3.875
  589   1HH1  ARG  78          1HH1      ARG  78   2.546  13.750  -3.171
  590   2HH1  ARG  78          2HH1      ARG  78   1.451  14.982  -3.737
  591   1HH2  ARG  78          1HH2      ARG  78  -1.108  12.742  -4.577
  592   2HH2  ARG  78          2HH2      ARG  78  -0.618  14.407  -4.532
  593    H    GLN  79           H        GLN  79   3.422   6.812   0.964
  594    HA   GLN  79           HA       GLN  79   6.116   7.439   1.948
  595   1HB   GLN  79          2HB       GLN  79   4.410   6.694   3.613
  596   2HB   GLN  79          1HB       GLN  79   4.261   5.180   2.739
  597   1HG   GLN  79          2HG       GLN  79   6.576   4.644   3.222
  598   2HG   GLN  79          1HG       GLN  79   6.774   6.185   4.054
  599   1HE2  GLN  79          1HE2      GLN  79   3.857   4.283   4.309
  600   2HE2  GLN  79          2HE2      GLN  79   4.086   3.812   5.953
  601    H    LEU  80           H        LEU  80   7.482   6.949   0.343
  602    HA   LEU  80           HA       LEU  80   7.038   4.681  -1.360
  603   1HB   LEU  80          2HB       LEU  80   8.135   6.723  -2.187
  604   2HB   LEU  80          1HB       LEU  80   9.469   6.445  -1.081
  605    HG   LEU  80           HG       LEU  80   9.896   4.275  -2.241
  606   1HD1  LEU  80          1HD1      LEU  80   7.694   3.935  -3.206
  607   2HD1  LEU  80          2HD1      LEU  80   8.927   3.960  -4.467
  608   3HD1  LEU  80          3HD1      LEU  80   7.895   5.368  -4.214
  609   1HD2  LEU  80          1HD2      LEU  80  10.943   5.317  -4.211
  610   2HD2  LEU  80          2HD2      LEU  80  11.229   6.237  -2.733
  611   3HD2  LEU  80          3HD2      LEU  80  10.026   6.788  -3.898
  612    H    ILE  81           H        ILE  81   7.271   2.732  -0.549
  613    HA   ILE  81           HA       ILE  81   9.368   2.265   1.447
  614    HB   ILE  81           HB       ILE  81   8.158   0.157   1.943
  615   1HG1  ILE  81          2HG1      ILE  81   5.998   1.270   0.145
  616   2HG1  ILE  81          1HG1      ILE  81   7.086  -0.021  -0.335
  617   1HG2  ILE  81          1HG2      ILE  81   6.237   1.255   3.048
  618   2HG2  ILE  81          2HG2      ILE  81   6.566   2.710   2.100
  619   3HG2  ILE  81          3HG2      ILE  81   7.754   2.132   3.267
  620   1HD1  ILE  81          1HD1      ILE  81   4.930  -0.881   0.391
  621   2HD1  ILE  81          2HD1      ILE  81   5.152  -0.121   1.968
  622   3HD1  ILE  81          3HD1      ILE  81   6.227  -1.424   1.456
  623    H    GLN  82           H        GLN  82  10.933   0.790   1.157
  624    HA   GLN  82           HA       GLN  82  11.413   0.014  -1.585
  625   1HB   GLN  82          2HB       GLN  82  13.228   1.031  -0.293
  626   2HB   GLN  82          1HB       GLN  82  13.145  -0.277   0.878
  627   1HG   GLN  82          2HG       GLN  82  15.012  -0.434  -0.774
  628   2HG   GLN  82          1HG       GLN  82  13.967  -1.850  -0.686
  629   1HE2  GLN  82          1HE2      GLN  82  12.970   1.092  -2.275
  630   2HE2  GLN  82          2HE2      GLN  82  13.008   0.454  -3.884
  631    H    THR  83           H        THR  83  10.385  -1.740  -2.241
  632    HA   THR  83           HA       THR  83  10.319  -4.083  -0.463
  633    HB   THR  83           HB       THR  83   8.410  -4.801  -1.543
  634    HG1  THR  83           HG1      THR  83   8.957  -3.247  -3.865
  635   1HG2  THR  83          1HG2      THR  83   7.854  -2.637  -0.608
  636   2HG2  THR  83          2HG2      THR  83   6.977  -2.856  -2.122
  637   3HG2  THR  83          3HG2      THR  83   8.413  -1.826  -2.075
  638    HA   PRO  84           HA       PRO  84  13.277  -6.327  -2.941
  639   1HB   PRO  84          2HB       PRO  84  11.350  -8.561  -3.199
  640   2HB   PRO  84          1HB       PRO  84  12.974  -8.552  -2.505
  641   1HG   PRO  84          2HG       PRO  84  10.803  -8.714  -0.951
  642   2HG   PRO  84          1HG       PRO  84  12.233  -7.793  -0.447
  643   1HD   PRO  84          2HD       PRO  84   9.632  -6.810  -1.548
  644   2HD   PRO  84          1HD       PRO  84  10.639  -6.124  -0.255
  645    H    TYR  85           H        TYR  85  10.030  -5.887  -4.040
  646    HA   TYR  85           HA       TYR  85  10.610  -6.765  -6.759
  647   1HB   TYR  85          2HB       TYR  85   8.059  -5.499  -5.746
  648   2HB   TYR  85          1HB       TYR  85   8.270  -6.507  -7.173
  649    HD1  TYR  85           HD1      TYR  85   8.552  -8.952  -6.931
  650    HD2  TYR  85           HD2      TYR  85   7.772  -6.460  -3.577
  651    HE1  TYR  85           HE1      TYR  85   7.919 -10.932  -5.614
  652    HE2  TYR  85           HE2      TYR  85   7.145  -8.429  -2.246
  653    HH   TYR  85           HH       TYR  85   6.344 -10.708  -2.583
  654    H    GLY  86           H        GLY  86  11.109  -4.070  -4.955
  655   1HA   GLY  86          2HA       GLY  86  12.159  -2.210  -6.266
  656   2HA   GLY  86          1HA       GLY  86  10.689  -2.235  -7.230
  657    H    SER  87           H        SER  87  11.470   0.100  -6.027
  658    HA   SER  87           HA       SER  87  10.298   0.513  -3.493
  659   1HB   SER  87          2HB       SER  87  10.420   2.957  -4.251
  660   2HB   SER  87          1HB       SER  87  11.935   2.064  -4.148
  661    HG   SER  87           HG       SER  87  11.174   3.372  -6.197
  662    H    ALA  88           H        ALA  88   8.233   0.638  -2.946
  663    HA   ALA  88           HA       ALA  88   6.253   1.174  -5.070
  664   1HB   ALA  88          1HB       ALA  88   4.703  -0.277  -3.872
  665   2HB   ALA  88          2HB       ALA  88   5.925  -0.588  -2.640
  666   3HB   ALA  88          3HB       ALA  88   6.177  -1.149  -4.292
  667    H    TRP  89           H        TRP  89   4.495   2.491  -4.569
  668    HA   TRP  89           HA       TRP  89   4.987   4.353  -2.405
  669   1HB   TRP  89          2HB       TRP  89   2.867   4.319  -4.562
  670   2HB   TRP  89          1HB       TRP  89   3.088   5.613  -3.394
  671    HD1  TRP  89           HD1      TRP  89   4.559   4.190  -6.568
  672    HE1  TRP  89           HE1      TRP  89   6.338   5.817  -7.450
  673    HE3  TRP  89           HE3      TRP  89   4.788   7.408  -2.595
  674    HZ2  TRP  89           HZ2      TRP  89   7.677   8.156  -6.591
  675    HZ3  TRP  89           HZ3      TRP  89   6.344   9.309  -2.703
  676    HH2  TRP  89           HH2      TRP  89   7.756   9.676  -4.662
  677    H    MET  90           H        MET  90   4.170   4.110  -0.460
  678    HA   MET  90           HA       MET  90   1.660   2.613  -0.083
  679   1HB   MET  90          2HB       MET  90   3.811   2.002   1.173
  680   2HB   MET  90          1HB       MET  90   3.602   3.513   2.053
  681   1HG   MET  90          2HG       MET  90   1.439   2.723   2.878
  682   2HG   MET  90          1HG       MET  90   1.665   1.206   2.006
  683   1HE   MET  90          1HE       MET  90   2.180  -0.020   5.651
  684   2HE   MET  90          2HE       MET  90   1.362  -0.294   4.113
  685   3HE   MET  90          3HE       MET  90   0.997   1.149   5.062
  686    H    TYR  91           H        TYR  91  -0.005   3.560   1.255
  687    HA   TYR  91           HA       TYR  91   0.212   6.487   1.530
  688   1HB   TYR  91          2HB       TYR  91  -2.187   4.813   0.763
  689   2HB   TYR  91          1HB       TYR  91  -2.300   6.505   1.226
  690    HD1  TYR  91           HD1      TYR  91  -1.587   8.255  -0.281
  691    HD2  TYR  91           HD2      TYR  91  -1.142   4.162  -1.358
  692    HE1  TYR  91           HE1      TYR  91  -1.156   8.922  -2.609
  693    HE2  TYR  91           HE2      TYR  91  -0.722   4.817  -3.690
  694    HH   TYR  91           HH       TYR  91  -0.310   8.162  -4.629
  695    H    VAL  92           H        VAL  92   0.179   7.153   3.588
  696    HA   VAL  92           HA       VAL  92  -1.206   5.468   5.559
  697    HB   VAL  92           HB       VAL  92   1.176   7.275   5.780
  698   1HG1  VAL  92          1HG1      VAL  92  -0.328   8.103   7.513
  699   2HG1  VAL  92          2HG1      VAL  92   1.016   7.211   8.226
  700   3HG1  VAL  92          3HG1      VAL  92  -0.574   6.458   8.100
  701   1HG2  VAL  92          1HG2      VAL  92   2.054   5.362   7.052
  702   2HG2  VAL  92          2HG2      VAL  92   1.531   4.901   5.433
  703   3HG2  VAL  92          3HG2      VAL  92   0.513   4.527   6.829
  704    H    TYR  93           H        TYR  93  -3.016   6.181   6.404
  705    HA   TYR  93           HA       TYR  93  -4.231   8.602   5.612
  706   1HB   TYR  93          2HB       TYR  93  -5.464   6.549   6.312
  707   2HB   TYR  93          1HB       TYR  93  -4.948   6.835   7.968
  708    HD1  TYR  93           HD1      TYR  93  -6.770   7.487   9.240
  709    HD2  TYR  93           HD2      TYR  93  -6.348   9.080   5.319
  710    HE1  TYR  93           HE1      TYR  93  -8.760   8.887   9.600
  711    HE2  TYR  93           HE2      TYR  93  -8.332  10.491   5.674
  712    HH   TYR  93           HH       TYR  93 -10.328  10.543   7.069
  713    H    GLN  94           H        GLN  94  -3.927  10.567   6.295
  714    HA   GLN  94           HA       GLN  94  -1.990  10.941   8.413
  715   1HB   GLN  94          2HB       GLN  94  -2.430  12.137   5.964
  716   2HB   GLN  94          1HB       GLN  94  -2.997  13.338   7.114
  717   1HG   GLN  94          2HG       GLN  94  -0.836  13.948   7.101
  718   2HG   GLN  94          1HG       GLN  94  -0.697  12.651   8.286
  719   1HE2  GLN  94          1HE2      GLN  94  -0.048  10.530   7.484
  720   2HE2  GLN  94          2HE2      GLN  94   1.016  10.457   6.136
  721    H    ARG  95           H        ARG  95  -5.346  11.605   7.770
  722    HA   ARG  95           HA       ARG  95  -5.551  13.521   9.916
  723   1HB   ARG  95          2HB       ARG  95  -7.694  12.327   8.150
  724   2HB   ARG  95          1HB       ARG  95  -7.893  13.707   9.226
  725   1HG   ARG  95          2HG       ARG  95  -6.054  14.830   7.899
  726   2HG   ARG  95          1HG       ARG  95  -6.236  13.524   6.731
  727   1HD   ARG  95          2HD       ARG  95  -8.444  15.366   7.622
  728   2HD   ARG  95          1HD       ARG  95  -7.516  15.550   6.136
  729    HE   ARG  95           HE       ARG  95  -8.445  13.342   5.467
  730   1HH1  ARG  95          1HH1      ARG  95 -10.078  15.224   7.935
  731   2HH1  ARG  95          2HH1      ARG  95 -11.658  14.633   7.521
  732   1HH2  ARG  95          1HH2      ARG  95 -10.509  12.574   4.919
  733   2HH2  ARG  95          2HH2      ARG  95 -11.909  13.141   5.786
  734    HA   PRO  96           HA       PRO  96  -6.848  11.044  13.311
  735   1HB   PRO  96          2HB       PRO  96  -9.423  12.535  13.353
  736   2HB   PRO  96          1HB       PRO  96  -8.251  12.276  14.649
  737   1HG   PRO  96          2HG       PRO  96  -8.423  14.634  13.423
  738   2HG   PRO  96          1HG       PRO  96  -6.850  13.964  13.898
  739   1HD   PRO  96          2HD       PRO  96  -8.118  14.103  11.199
  740   2HD   PRO  96          1HD       PRO  96  -6.412  14.279  11.656
  741    H    VAL  97           H        VAL  97  -7.691   9.080  13.435
  742    HA   VAL  97           HA       VAL  97  -9.513   8.140  11.437
  743    HB   VAL  97           HB       VAL  97  -9.314   5.937  12.672
  744   1HG1  VAL  97          1HG1      VAL  97  -7.961   6.485  10.722
  745   2HG1  VAL  97          2HG1      VAL  97  -7.025   5.547  11.887
  746   3HG1  VAL  97          3HG1      VAL  97  -6.777   7.289  11.754
  747   1HG2  VAL  97          1HG2      VAL  97  -8.741   6.843  14.885
  748   2HG2  VAL  97          2HG2      VAL  97  -7.216   7.446  14.236
  749   3HG2  VAL  97          3HG2      VAL  97  -7.520   5.710  14.305
  750    H    ASP  98           H        ASP  98 -11.044   9.715  12.096
  751    HA   ASP  98           HA       ASP  98 -12.453  10.066  14.347
  752   1HB   ASP  98          2HB       ASP  98 -12.754  11.235  12.157
  753   2HB   ASP  98          1HB       ASP  98 -13.747   9.878  11.645
  754    H    GLY  99           H        GLY  99 -13.790   8.015  11.890
  755   1HA   GLY  99          2HA       GLY  99 -14.747   6.168  13.971
  756   2HA   GLY  99          1HA       GLY  99 -15.886   6.831  12.805
  757    H    LEU 100           H        LEU 100 -12.691   5.262  12.781
  758    HA   LEU 100           HA       LEU 100 -13.602   3.733  10.431
  759   1HB   LEU 100          2HB       LEU 100 -10.733   4.180  11.216
  760   2HB   LEU 100          1HB       LEU 100 -11.349   3.578   9.694
  761    HG   LEU 100           HG       LEU 100 -11.518   6.407  10.723
  762   1HD1  LEU 100          1HD1      LEU 100 -10.131   5.202   8.334
  763   2HD1  LEU 100          2HD1      LEU 100  -9.353   5.759   9.814
  764   3HD1  LEU 100          3HD1      LEU 100 -10.167   6.913   8.757
  765   1HD2  LEU 100          1HD2      LEU 100 -12.582   6.916   8.542
  766   2HD2  LEU 100          2HD2      LEU 100 -13.587   5.931   9.602
  767   3HD2  LEU 100          3HD2      LEU 100 -12.734   5.183   8.254
  768    H    LYS 101           H        LYS 101 -12.895   1.522  10.268
  769    HA   LYS 101           HA       LYS 101 -12.672   0.269  12.907
  770   1HB   LYS 101          2HB       LYS 101 -13.484  -0.825  10.214
  771   2HB   LYS 101          1HB       LYS 101 -13.265  -1.831  11.640
  772   1HG   LYS 101          2HG       LYS 101 -15.039  -0.685  12.784
  773   2HG   LYS 101          1HG       LYS 101 -15.192   0.474  11.463
  774   1HD   LYS 101          2HD       LYS 101 -15.594  -2.487  11.101
  775   2HD   LYS 101          1HD       LYS 101 -16.906  -1.384  11.521
  776   1HE   LYS 101          2HE       LYS 101 -15.147  -1.136   9.081
  777   2HE   LYS 101          1HE       LYS 101 -16.762  -1.844   9.094
  778   1HZ   LYS 101          1HZ       LYS 101 -17.579   0.329   9.951
  779   2HZ   LYS 101          2HZ       LYS 101 -16.950   0.402   8.380
  780   3HZ   LYS 101          3HZ       LYS 101 -16.034   0.976   9.684
  781    H    LEU 102           H        LEU 102 -10.757  -0.364  13.570
  782    HA   LEU 102           HA       LEU 102  -8.546  -0.411  11.671
  783   1HB   LEU 102          2HB       LEU 102  -8.258   0.906  13.672
  784   2HB   LEU 102          1HB       LEU 102  -8.673  -0.461  14.685
  785    HG   LEU 102           HG       LEU 102  -6.608  -1.600  14.019
  786   1HD1  LEU 102          1HD1      LEU 102  -4.889  -0.254  12.793
  787   2HD1  LEU 102          2HD1      LEU 102  -6.172   0.880  12.373
  788   3HD1  LEU 102          3HD1      LEU 102  -6.255  -0.793  11.818
  789   1HD2  LEU 102          1HD2      LEU 102  -5.035  -0.099  15.158
  790   2HD2  LEU 102          2HD2      LEU 102  -6.580  -0.213  16.001
  791   3HD2  LEU 102          3HD2      LEU 102  -6.206   1.212  15.029
  792    H    ILE 103           H        ILE 103  -7.714  -2.238  10.884
  793    HA   ILE 103           HA       ILE 103  -8.281  -4.771  12.233
  794    HB   ILE 103           HB       ILE 103  -6.616  -4.580   9.741
  795   1HG1  ILE 103          2HG1      ILE 103  -9.643  -4.729   9.736
  796   2HG1  ILE 103          1HG1      ILE 103  -8.723  -3.279   9.331
  797   1HG2  ILE 103          1HG2      ILE 103  -6.664  -6.719  10.740
  798   2HG2  ILE 103          2HG2      ILE 103  -7.765  -6.801   9.364
  799   3HG2  ILE 103          3HG2      ILE 103  -8.405  -6.643  10.998
  800   1HD1  ILE 103          1HD1      ILE 103  -8.594  -5.910   7.860
  801   2HD1  ILE 103          2HD1      ILE 103  -7.691  -4.453   7.449
  802   3HD1  ILE 103          3HD1      ILE 103  -9.451  -4.464   7.328
  803    H    GLU 104           H        GLU 104  -6.976  -4.798  13.978
  804    HA   GLU 104           HA       GLU 104  -4.254  -4.087  14.047
  805   1HB   GLU 104          2HB       GLU 104  -4.297  -5.549  16.184
  806   2HB   GLU 104          1HB       GLU 104  -5.227  -4.063  16.130
  807   1HG   GLU 104          2HG       GLU 104  -6.561  -5.713  17.176
  808   2HG   GLU 104          1HG       GLU 104  -7.240  -5.431  15.578
  809    H    SER 105           H        SER 105  -4.989  -5.983  11.913
  810    HA   SER 105           HA       SER 105  -2.764  -7.795  12.112
  811   1HB   SER 105          2HB       SER 105  -5.572  -8.923  11.902
  812   2HB   SER 105          1HB       SER 105  -4.078  -9.850  11.808
  813    HG   SER 105           HG       SER 105  -5.271  -8.584  14.032
  814    H    GLY 106           H        GLY 106  -4.239  -5.644  10.427
  815   1HA   GLY 106          2HA       GLY 106  -4.611  -5.161   8.196
  816   2HA   GLY 106          1HA       GLY 106  -3.006  -5.852   8.093
  817    H    ASP 107           H        ASP 107  -6.262  -7.269   8.499
  818    HA   ASP 107           HA       ASP 107  -5.797  -8.775   6.027
  819   1HB   ASP 107          2HB       ASP 107  -5.259 -10.066   8.207
  820   2HB   ASP 107          1HB       ASP 107  -7.006 -10.106   8.439
  821    H    TRP 108           H        TRP 108  -7.518  -8.951   4.749
  822    HA   TRP 108           HA       TRP 108  -9.984  -7.632   5.575
  823   1HB   TRP 108          2HB       TRP 108 -10.484  -7.669   3.077
  824   2HB   TRP 108          1HB       TRP 108  -9.090  -6.709   3.549
  825    HD1  TRP 108           HD1      TRP 108 -10.038  -9.400   1.170
  826    HE1  TRP 108           HE1      TRP 108  -7.909 -10.369   0.071
  827    HE3  TRP 108           HE3      TRP 108  -6.580  -7.294   4.214
  828    HZ2  TRP 108           HZ2      TRP 108  -5.098 -10.244   0.490
  829    HZ3  TRP 108           HZ3      TRP 108  -4.233  -7.735   3.854
  830    HH2  TRP 108           HH2      TRP 108  -3.474  -9.188   2.014
  831    H    LEU 109           H        LEU 109  -8.708 -10.638   5.391
  832    HA   LEU 109           HA       LEU 109 -11.192 -11.965   4.538
  833   1HB   LEU 109          2HB       LEU 109  -8.379 -13.043   4.762
  834   2HB   LEU 109          1HB       LEU 109  -9.769 -13.915   4.141
  835    HG   LEU 109           HG       LEU 109  -9.220 -11.377   2.770
  836   1HD1  LEU 109          1HD1      LEU 109  -7.345 -12.302   1.483
  837   2HD1  LEU 109          2HD1      LEU 109  -7.269 -13.669   2.597
  838   3HD1  LEU 109          3HD1      LEU 109  -6.938 -12.033   3.177
  839   1HD2  LEU 109          1HD2      LEU 109 -10.917 -12.939   2.026
  840   2HD2  LEU 109          2HD2      LEU 109  -9.699 -14.203   1.847
  841   3HD2  LEU 109          3HD2      LEU 109  -9.648 -12.774   0.811
  842    H    ASP 110           H        ASP 110 -10.253 -10.794   7.216
  843    HA   ASP 110           HA       ASP 110  -9.947 -13.022   8.964
  844   1HB   ASP 110          2HB       ASP 110  -9.103 -10.760   9.537
  845   2HB   ASP 110          1HB       ASP 110 -10.769 -10.207   9.694
  846    H    ARG 111           H        ARG 111 -11.754 -14.073   7.860
  847    HA   ARG 111           HA       ARG 111 -14.064 -14.037   9.631
  848   1HB   ARG 111          2HB       ARG 111 -15.478 -14.408   7.461
  849   2HB   ARG 111          1HB       ARG 111 -15.023 -12.764   7.890
  850   1HG   ARG 111          2HG       ARG 111 -13.557 -12.560   6.158
  851   2HG   ARG 111          1HG       ARG 111 -13.177 -14.279   6.127
  852   1HD   ARG 111          2HD       ARG 111 -15.421 -14.698   5.149
  853   2HD   ARG 111          1HD       ARG 111 -15.672 -12.952   5.076
  854    HE   ARG 111           HE       ARG 111 -13.969 -12.800   3.437
  855   1HH1  ARG 111          1HH1      ARG 111 -14.739 -16.108   4.319
  856   2HH1  ARG 111          2HH1      ARG 111 -13.998 -16.795   2.908
  857   1HH2  ARG 111          1HH2      ARG 111 -13.028 -13.706   1.548
  858   2HH2  ARG 111          2HH2      ARG 111 -13.048 -15.435   1.333
  859    H    ASP 112           H        ASP 112 -14.637 -15.847   6.886
  860    HA   ASP 112           HA       ASP 112 -14.029 -17.810   5.968
  861   1HB   ASP 112          2HB       ASP 112 -11.881 -16.365   6.094
  862   2HB   ASP 112          1HB       ASP 112 -11.380 -17.528   7.306
  863    H    LYS 113           H        LYS 113 -15.205 -17.878   8.659
  864    HA   LYS 113           HA       LYS 113 -13.912 -20.076  10.016
  865   1HB   LYS 113          2HB       LYS 113 -15.203 -18.152  11.108
  866   2HB   LYS 113          1HB       LYS 113 -16.662 -18.963  10.562
  867   1HG   LYS 113          2HG       LYS 113 -16.208 -20.859  11.928
  868   2HG   LYS 113          1HG       LYS 113 -14.601 -20.247  12.330
  869   1HD   LYS 113          2HD       LYS 113 -15.721 -18.259  13.371
  870   2HD   LYS 113          1HD       LYS 113 -17.265 -19.077  13.125
  871   1HE   LYS 113          2HE       LYS 113 -16.550 -20.912  14.543
  872   2HE   LYS 113          1HE       LYS 113 -14.958 -20.173  14.731
  873   1HZ   LYS 113          1HZ       LYS 113 -16.208 -19.640  16.654
  874   2HZ   LYS 113          2HZ       LYS 113 -17.555 -19.154  15.746
  875   3HZ   LYS 113          3HZ       LYS 113 -16.137 -18.224  15.728
  Start of MODEL    9
    1   1H    MET   1          1HT       MET   1   5.223   3.115 -13.502
    2   2H    MET   1          2HT       MET   1   3.861   2.271 -12.950
    3   3H    MET   1          3HT       MET   1   5.336   1.464 -13.143
    4    HA   MET   1           HA       MET   1   6.333   2.751 -11.415
    5   1HB   MET   1          2HB       MET   1   4.695   4.705 -11.912
    6   2HB   MET   1          1HB       MET   1   3.621   3.881 -10.789
    7   1HG   MET   1          2HG       MET   1   5.184   4.117  -9.007
    8   2HG   MET   1          1HG       MET   1   6.427   4.712 -10.105
    9   1HE   MET   1          1HE       MET   1   6.277   7.086 -11.350
   10   2HE   MET   1          2HE       MET   1   4.928   8.203 -11.141
   11   3HE   MET   1          3HE       MET   1   4.679   6.665 -11.968
   12    H    ARG   2           H        ARG   2   5.645   2.364  -8.947
   13    HA   ARG   2           HA       ARG   2   4.166  -0.172  -8.927
   14   1HB   ARG   2          2HB       ARG   2   6.589   0.663  -7.323
   15   2HB   ARG   2          1HB       ARG   2   5.691  -0.814  -7.063
   16   1HG   ARG   2          2HG       ARG   2   6.352  -1.693  -9.168
   17   2HG   ARG   2          1HG       ARG   2   7.023  -0.138  -9.664
   18   1HD   ARG   2          2HD       ARG   2   8.674  -0.303  -7.837
   19   2HD   ARG   2          1HD       ARG   2   8.030  -1.890  -7.427
   20    HE   ARG   2           HE       ARG   2   9.108  -2.788  -9.251
   21   1HH1  ARG   2          1HH1      ARG   2   9.309   0.712  -9.372
   22   2HH1  ARG   2          2HH1      ARG   2  10.512   0.721 -10.624
   23   1HH2  ARG   2          1HH2      ARG   2  10.709  -2.762 -10.889
   24   2HH2  ARG   2          2HH2      ARG   2  11.294  -1.241 -11.489
   25    H    ILE   3           H        ILE   3   2.853  -0.604  -7.167
   26    HA   ILE   3           HA       ILE   3   2.640   1.415  -5.071
   27    HB   ILE   3           HB       ILE   3   0.996   2.165  -6.674
   28   1HG1  ILE   3          2HG1      ILE   3  -0.372   0.710  -4.398
   29   2HG1  ILE   3          1HG1      ILE   3   0.411   2.282  -4.272
   30   1HG2  ILE   3          1HG2      ILE   3   0.709   0.099  -7.921
   31   2HG2  ILE   3          2HG2      ILE   3  -0.853   0.750  -7.420
   32   3HG2  ILE   3          3HG2      ILE   3  -0.150  -0.621  -6.559
   33   1HD1  ILE   3          1HD1      ILE   3  -1.207   3.197  -5.864
   34   2HD1  ILE   3          2HD1      ILE   3  -1.989   2.520  -4.436
   35   3HD1  ILE   3          3HD1      ILE   3  -1.996   1.624  -5.954
   36    H    PHE   4           H        PHE   4   2.060   0.604  -3.115
   37    HA   PHE   4           HA       PHE   4   1.935  -2.291  -2.881
   38   1HB   PHE   4          2HB       PHE   4   3.412  -1.025  -1.365
   39   2HB   PHE   4          1HB       PHE   4   2.026  -0.125  -0.761
   40    HD1  PHE   4           HD1      PHE   4   3.856  -3.271  -0.641
   41    HD2  PHE   4           HD2      PHE   4   0.384  -1.198   0.681
   42    HE1  PHE   4           HE1      PHE   4   3.502  -4.978   1.098
   43    HE2  PHE   4           HE2      PHE   4   0.016  -2.899   2.415
   44    HZ   PHE   4           HZ       PHE   4   1.580  -4.793   2.629
   45    H    VAL   5           H        VAL   5   0.021  -3.245  -3.028
   46    HA   VAL   5           HA       VAL   5  -2.384  -1.716  -2.451
   47    HB   VAL   5           HB       VAL   5  -2.027  -4.450  -3.694
   48   1HG1  VAL   5          1HG1      VAL   5  -4.410  -4.379  -4.183
   49   2HG1  VAL   5          2HG1      VAL   5  -4.552  -2.840  -3.333
   50   3HG1  VAL   5          3HG1      VAL   5  -4.131  -4.302  -2.443
   51   1HG2  VAL   5          1HG2      VAL   5  -1.285  -2.624  -5.119
   52   2HG2  VAL   5          2HG2      VAL   5  -2.816  -1.784  -4.873
   53   3HG2  VAL   5          3HG2      VAL   5  -2.782  -3.318  -5.743
   54    H    TYR   6           H        TYR   6  -3.691  -2.068  -0.790
   55    HA   TYR   6           HA       TYR   6  -2.779  -3.923   1.278
   56   1HB   TYR   6          2HB       TYR   6  -4.957  -1.936   1.763
   57   2HB   TYR   6          1HB       TYR   6  -3.662  -2.461   2.836
   58    HD1  TYR   6           HD1      TYR   6  -1.441  -1.453   2.688
   59    HD2  TYR   6           HD2      TYR   6  -4.611  -0.144   0.177
   60    HE1  TYR   6           HE1      TYR   6  -0.119   0.525   2.053
   61    HE2  TYR   6           HE2      TYR   6  -3.305   1.837  -0.460
   62    HH   TYR   6           HH       TYR   6  -0.115   2.085  -0.108
   63    H    GLY   7           H        GLY   7  -6.060  -2.692   0.763
   64   1HA   GLY   7          2HA       GLY   7  -7.296  -5.195   1.157
   65   2HA   GLY   7          1HA       GLY   7  -8.053  -3.792   0.405
   66    H    SER   8           H        SER   8  -7.638  -6.866  -0.167
   67    HA   SER   8           HA       SER   8  -6.121  -7.349  -2.362
   68   1HB   SER   8          2HB       SER   8  -8.808  -8.521  -1.659
   69   2HB   SER   8          1HB       SER   8  -7.769  -9.159  -2.932
   70    HG   SER   8           HG       SER   8  -6.114  -9.149  -1.126
   71    H    LEU   9           H        LEU   9  -5.958  -6.301  -4.177
   72    HA   LEU   9           HA       LEU   9  -8.298  -4.980  -5.350
   73   1HB   LEU   9          2HB       LEU   9  -6.151  -3.765  -4.912
   74   2HB   LEU   9          1HB       LEU   9  -5.388  -4.790  -6.109
   75    HG   LEU   9           HG       LEU   9  -7.016  -3.887  -7.792
   76   1HD1  LEU   9          1HD1      LEU   9  -8.725  -3.083  -6.244
   77   2HD1  LEU   9          2HD1      LEU   9  -8.128  -1.774  -7.261
   78   3HD1  LEU   9          3HD1      LEU   9  -7.589  -1.907  -5.588
   79   1HD2  LEU   9          1HD2      LEU   9  -5.773  -1.813  -8.076
   80   2HD2  LEU   9          2HD2      LEU   9  -4.710  -3.147  -7.623
   81   3HD2  LEU   9          3HD2      LEU   9  -5.175  -1.940  -6.423
   82    H    ARG  10           H        ARG  10  -7.253  -7.876  -5.398
   83    HA   ARG  10           HA       ARG  10  -6.605  -8.574  -8.048
   84   1HB   ARG  10          2HB       ARG  10  -7.845 -10.356  -5.946
   85   2HB   ARG  10          1HB       ARG  10  -6.868 -10.856  -7.324
   86   1HG   ARG  10          2HG       ARG  10  -4.961  -9.627  -6.391
   87   2HG   ARG  10          1HG       ARG  10  -5.938  -9.201  -4.992
   88   1HD   ARG  10          2HD       ARG  10  -6.213 -11.669  -4.578
   89   2HD   ARG  10          1HD       ARG  10  -4.998 -11.933  -5.832
   90    HE   ARG  10           HE       ARG  10  -4.428 -10.241  -3.476
   91   1HH1  ARG  10          1HH1      ARG  10  -3.606 -12.974  -5.523
   92   2HH1  ARG  10          2HH1      ARG  10  -2.065 -13.235  -4.765
   93   1HH2  ARG  10          1HH2      ARG  10  -2.432 -10.569  -2.500
   94   2HH2  ARG  10          2HH2      ARG  10  -1.373 -11.844  -3.040
   95    H    HIS  11           H        HIS  11  -9.401  -7.272  -7.073
   96    HA   HIS  11           HA       HIS  11 -11.261  -8.725  -8.697
   97   1HB   HIS  11          2HB       HIS  11 -11.991  -7.212  -6.870
   98   2HB   HIS  11          1HB       HIS  11 -11.319  -5.842  -7.744
   99    HD1  HIS  11           HD1      HIS  11 -13.612  -4.672  -7.876
  100    HD2  HIS  11           HD2      HIS  11 -13.531  -8.414  -9.689
  101    HE1  HIS  11           HE1      HIS  11 -15.719  -4.812  -9.234
  102    HE2  HIS  11           HE2      HIS  11 -15.572  -7.017 -10.451
  103    H    LYS  12           H        LYS  12  -8.647  -6.651  -9.236
  104    HA   LYS  12           HA       LYS  12  -7.540  -6.092 -11.125
  105   1HB   LYS  12          2HB       LYS  12  -8.940  -8.268 -11.938
  106   2HB   LYS  12          1HB       LYS  12  -9.563  -7.052 -13.044
  107   1HG   LYS  12          2HG       LYS  12  -7.396  -6.591 -13.898
  108   2HG   LYS  12          1HG       LYS  12  -6.626  -7.548 -12.632
  109   1HD   LYS  12          2HD       LYS  12  -7.725  -9.564 -13.538
  110   2HD   LYS  12          1HD       LYS  12  -8.403  -8.583 -14.838
  111   1HE   LYS  12          2HE       LYS  12  -6.395  -9.788 -15.560
  112   2HE   LYS  12          1HE       LYS  12  -6.169  -8.042 -15.624
  113   1HZ   LYS  12          1HZ       LYS  12  -5.281  -9.677 -13.315
  114   2HZ   LYS  12          2HZ       LYS  12  -4.829  -8.089 -13.701
  115   3HZ   LYS  12          3HZ       LYS  12  -4.285  -9.381 -14.655
  116    H    GLN  13           H        GLN  13 -10.214  -4.823 -10.055
  117    HA   GLN  13           HA       GLN  13  -9.788  -2.296 -11.174
  118   1HB   GLN  13          2HB       GLN  13 -10.813  -2.994 -13.182
  119   2HB   GLN  13          1HB       GLN  13 -12.114  -3.828 -12.334
  120   1HG   GLN  13          2HG       GLN  13 -11.748  -0.867 -12.126
  121   2HG   GLN  13          1HG       GLN  13 -12.589  -1.590 -13.494
  122   1HE2  GLN  13          1HE2      GLN  13 -13.415   0.153 -11.217
  123   2HE2  GLN  13          2HE2      GLN  13 -14.758  -0.654 -10.514
  124    H    GLY  14           H        GLY  14 -10.115  -1.108  -9.463
  125   1HA   GLY  14          2HA       GLY  14 -12.221  -1.932  -7.567
  126   2HA   GLY  14          1HA       GLY  14 -10.741  -1.110  -7.104
  127    H    ASN  15           H        ASN  15 -10.749   0.850  -9.145
  128    HA   ASN  15           HA       ASN  15 -12.988   2.515  -8.217
  129   1HB   ASN  15          2HB       ASN  15 -10.382   3.315  -9.544
  130   2HB   ASN  15          1HB       ASN  15 -11.653   4.433  -9.071
  131   1HD2  ASN  15          1HD2      ASN  15 -12.225   2.928  -6.602
  132   2HD2  ASN  15          2HD2      ASN  15 -10.933   3.316  -5.525
  133    H    SER  16           H        SER  16 -11.095   1.813 -11.098
  134    HA   SER  16           HA       SER  16 -13.368   1.362 -12.728
  135   1HB   SER  16          2HB       SER  16 -13.341   3.883 -12.624
  136   2HB   SER  16          1HB       SER  16 -11.739   3.844 -13.360
  137    HG   SER  16           HG       SER  16 -12.754   3.782 -15.187
  138    H    HIS  17           H        HIS  17 -12.473   1.122 -15.124
  139    HA   HIS  17           HA       HIS  17 -10.276  -0.700 -14.968
  140   1HB   HIS  17          2HB       HIS  17 -10.614  -1.100 -17.279
  141   2HB   HIS  17          1HB       HIS  17 -12.215  -0.783 -16.626
  142    HD1  HIS  17           HD1      HIS  17  -9.819   0.333 -19.158
  143    HD2  HIS  17           HD2      HIS  17 -13.238   1.853 -17.333
  144    HE1  HIS  17           HE1      HIS  17 -10.556   2.268 -20.593
  145    HE2  HIS  17           HE2      HIS  17 -12.699   3.090 -19.546
  146    H    TRP  18           H        TRP  18 -10.148   2.437 -14.658
  147    HA   TRP  18           HA       TRP  18  -8.473   3.817 -16.137
  148   1HB   TRP  18          2HB       TRP  18  -9.014   4.842 -14.171
  149   2HB   TRP  18          1HB       TRP  18  -8.742   3.398 -13.213
  150    HD1  TRP  18           HD1      TRP  18  -6.880   6.443 -14.628
  151    HE1  TRP  18           HE1      TRP  18  -4.693   6.716 -13.300
  152    HE3  TRP  18           HE3      TRP  18  -7.063   2.132 -11.911
  153    HZ2  TRP  18           HZ2      TRP  18  -3.234   5.274 -11.348
  154    HZ3  TRP  18           HZ3      TRP  18  -5.236   1.649 -10.333
  155    HH2  TRP  18           HH2      TRP  18  -3.362   3.191 -10.057
  156    H    MET  19           H        MET  19  -7.374   1.127 -14.084
  157    HA   MET  19           HA       MET  19  -5.639  -0.119 -15.663
  158   1HB   MET  19          2HB       MET  19  -4.434   2.204 -15.818
  159   2HB   MET  19          1HB       MET  19  -3.814   1.794 -14.226
  160   1HG   MET  19          2HG       MET  19  -3.435   0.198 -16.752
  161   2HG   MET  19          1HG       MET  19  -2.222   1.198 -15.957
  162   1HE   MET  19          1HE       MET  19  -1.948  -1.927 -16.830
  163   2HE   MET  19          2HE       MET  19  -1.058  -2.567 -15.448
  164   3HE   MET  19          3HE       MET  19  -0.611  -1.008 -16.139
  165    H    THR  20           H        THR  20  -6.562  -1.549 -14.205
  166    HA   THR  20           HA       THR  20  -5.293  -1.575 -11.552
  167    HB   THR  20           HB       THR  20  -8.039  -2.562 -12.239
  168    HG1  THR  20           HG1      THR  20  -7.113   0.008 -11.611
  169   1HG2  THR  20          1HG2      THR  20  -7.090  -3.504 -10.214
  170   2HG2  THR  20          2HG2      THR  20  -8.420  -2.415  -9.827
  171   3HG2  THR  20          3HG2      THR  20  -6.753  -1.886  -9.597
  172    H    ASN  21           H        ASN  21  -5.677  -3.104 -14.456
  173    HA   ASN  21           HA       ASN  21  -5.917  -5.805 -13.673
  174   1HB   ASN  21          2HB       ASN  21  -4.577  -4.744 -16.160
  175   2HB   ASN  21          1HB       ASN  21  -5.269  -6.344 -15.933
  176   1HD2  ASN  21          1HD2      ASN  21  -7.563  -4.945 -14.434
  177   2HD2  ASN  21          2HD2      ASN  21  -8.567  -4.365 -15.706
  178    H    ALA  22           H        ALA  22  -3.306  -3.588 -14.141
  179    HA   ALA  22           HA       ALA  22  -1.075  -3.603 -13.630
  180   1HB   ALA  22          1HB       ALA  22  -2.246  -3.326 -11.498
  181   2HB   ALA  22          2HB       ALA  22  -0.682  -4.114 -11.306
  182   3HB   ALA  22          3HB       ALA  22  -2.164  -5.068 -11.237
  183    H    GLN  23           H        GLN  23   0.502  -5.194 -12.136
  184    HA   GLN  23           HA       GLN  23   0.431  -7.906 -13.224
  185   1HB   GLN  23          2HB       GLN  23   2.024  -6.498 -14.576
  186   2HB   GLN  23          1HB       GLN  23   2.940  -6.212 -13.102
  187   1HG   GLN  23          2HG       GLN  23   3.236  -8.684 -12.907
  188   2HG   GLN  23          1HG       GLN  23   2.505  -8.835 -14.504
  189   1HE2  GLN  23          1HE2      GLN  23   5.298  -7.907 -12.709
  190   2HE2  GLN  23          2HE2      GLN  23   6.350  -7.669 -14.062
  191    H    LEU  24           H        LEU  24   0.366  -9.193 -11.484
  192    HA   LEU  24           HA       LEU  24   0.958  -8.283  -8.869
  193   1HB   LEU  24          2HB       LEU  24  -0.687 -10.032  -9.267
  194   2HB   LEU  24          1HB       LEU  24   0.550 -11.084  -9.926
  195    HG   LEU  24           HG       LEU  24   1.632 -11.176  -7.705
  196   1HD1  LEU  24          1HD1      LEU  24   0.439 -10.322  -5.751
  197   2HD1  LEU  24          2HD1      LEU  24  -0.772  -9.596  -6.806
  198   3HD1  LEU  24          3HD1      LEU  24   0.893  -9.018  -6.847
  199   1HD2  LEU  24          1HD2      LEU  24  -0.060 -12.568  -6.629
  200   2HD2  LEU  24          2HD2      LEU  24   0.031 -12.893  -8.360
  201   3HD2  LEU  24          3HD2      LEU  24  -1.289 -11.918  -7.714
  202    H    LEU  25           H        LEU  25   2.976  -7.709  -8.395
  203    HA   LEU  25           HA       LEU  25   5.286  -9.033  -9.436
  204   1HB   LEU  25          2HB       LEU  25   4.998  -7.092  -7.136
  205   2HB   LEU  25          1HB       LEU  25   6.520  -7.600  -7.836
  206    HG   LEU  25           HG       LEU  25   4.368  -6.023  -9.250
  207   1HD1  LEU  25          1HD1      LEU  25   7.112  -5.208  -8.307
  208   2HD1  LEU  25          2HD1      LEU  25   5.586  -4.735  -7.562
  209   3HD1  LEU  25          3HD1      LEU  25   5.974  -4.199  -9.198
  210   1HD2  LEU  25          1HD2      LEU  25   5.994  -5.827 -11.064
  211   2HD2  LEU  25          2HD2      LEU  25   5.544  -7.509 -10.781
  212   3HD2  LEU  25          3HD2      LEU  25   7.093  -6.899 -10.197
  213    H    GLY  26           H        GLY  26   3.617  -8.958  -6.341
  214   1HA   GLY  26          2HA       GLY  26   3.688 -11.566  -5.670
  215   2HA   GLY  26          1HA       GLY  26   5.294 -11.014  -5.205
  216    H    ASP  27           H        ASP  27   3.331 -11.999  -3.400
  217    HA   ASP  27           HA       ASP  27   2.094  -9.773  -2.086
  218   1HB   ASP  27          2HB       ASP  27   2.641 -12.336  -0.649
  219   2HB   ASP  27          1HB       ASP  27   1.239 -11.286  -0.548
  220    H    PHE  28           H        PHE  28   2.748  -8.750  -0.245
  221    HA   PHE  28           HA       PHE  28   5.391  -9.382   0.833
  222   1HB   PHE  28          2HB       PHE  28   5.870  -7.772  -0.899
  223   2HB   PHE  28          1HB       PHE  28   4.590  -6.712  -0.330
  224    HD1  PHE  28           HD1      PHE  28   7.275  -8.464   1.579
  225    HD2  PHE  28           HD2      PHE  28   5.618  -4.764   0.282
  226    HE1  PHE  28           HE1      PHE  28   8.894  -7.247   2.984
  227    HE2  PHE  28           HE2      PHE  28   7.223  -3.545   1.683
  228    HZ   PHE  28           HZ       PHE  28   8.855  -4.780   3.044
  229    H    SER  29           H        SER  29   5.042  -9.657   2.914
  230    HA   SER  29           HA       SER  29   2.927  -8.152   4.250
  231   1HB   SER  29          2HB       SER  29   4.637 -10.456   5.217
  232   2HB   SER  29          1HB       SER  29   3.298  -9.732   6.110
  233    HG   SER  29           HG       SER  29   3.170 -11.096   3.617
  234    H    ILE  30           H        ILE  30   3.324  -6.465   5.526
  235    HA   ILE  30           HA       ILE  30   6.126  -5.976   6.287
  236    HB   ILE  30           HB       ILE  30   5.406  -3.555   6.513
  237   1HG1  ILE  30          2HG1      ILE  30   3.052  -4.637   4.971
  238   2HG1  ILE  30          1HG1      ILE  30   3.014  -3.774   6.501
  239   1HG2  ILE  30          1HG2      ILE  30   5.417  -4.839   3.796
  240   2HG2  ILE  30          2HG2      ILE  30   6.826  -4.330   4.724
  241   3HG2  ILE  30          3HG2      ILE  30   5.688  -3.127   4.114
  242   1HD1  ILE  30          1HD1      ILE  30   2.300  -2.376   4.625
  243   2HD1  ILE  30          2HD1      ILE  30   3.878  -2.603   3.867
  244   3HD1  ILE  30          3HD1      ILE  30   3.751  -1.746   5.403
  245    H    ASP  31           H        ASP  31   6.639  -5.790   8.327
  246    HA   ASP  31           HA       ASP  31   4.609  -6.251  10.331
  247   1HB   ASP  31          2HB       ASP  31   7.596  -5.901  10.677
  248   2HB   ASP  31          1HB       ASP  31   6.468  -6.546  11.856
  249    H    ASN  32           H        ASN  32   4.336  -4.930  12.149
  250    HA   ASN  32           HA       ASN  32   4.200  -3.031  13.382
  251   1HB   ASN  32          2HB       ASN  32   6.452  -2.061  11.621
  252   2HB   ASN  32          1HB       ASN  32   5.799  -1.147  12.974
  253   1HD2  ASN  32          1HD2      ASN  32   5.388  -3.571  14.579
  254   2HD2  ASN  32          2HD2      ASN  32   6.959  -4.035  15.132
  255    H    TYR  33           H        TYR  33   2.631  -3.499  10.933
  256    HA   TYR  33           HA       TYR  33   1.646  -0.740  10.781
  257   1HB   TYR  33          2HB       TYR  33   1.908  -2.567   8.384
  258   2HB   TYR  33          1HB       TYR  33   1.075  -1.021   8.390
  259    HD1  TYR  33           HD1      TYR  33   2.437   1.067   8.918
  260    HD2  TYR  33           HD2      TYR  33   4.218  -2.677   7.979
  261    HE1  TYR  33           HE1      TYR  33   4.539   2.215   8.369
  262    HE2  TYR  33           HE2      TYR  33   6.325  -1.545   7.422
  263    HH   TYR  33           HH       TYR  33   7.086   0.698   6.722
  264    H    GLN  34           H        GLN  34  -0.504  -0.532  10.955
  265    HA   GLN  34           HA       GLN  34  -2.098  -3.003  11.149
  266   1HB   GLN  34          2HB       GLN  34  -2.727  -0.249  12.238
  267   2HB   GLN  34          1HB       GLN  34  -3.666  -1.714  12.505
  268   1HG   GLN  34          2HG       GLN  34  -1.888  -2.681  13.797
  269   2HG   GLN  34          1HG       GLN  34  -0.829  -1.320  13.426
  270   1HE2  GLN  34          1HE2      GLN  34  -1.199   0.665  14.410
  271   2HE2  GLN  34          2HE2      GLN  34  -2.177   0.818  15.822
  272    H    LEU  35           H        LEU  35  -4.377  -2.817  10.345
  273    HA   LEU  35           HA       LEU  35  -4.424  -1.074   7.965
  274   1HB   LEU  35          2HB       LEU  35  -4.231  -3.489   7.464
  275   2HB   LEU  35          1HB       LEU  35  -5.748  -3.765   8.301
  276    HG   LEU  35           HG       LEU  35  -6.806  -2.169   6.615
  277   1HD1  LEU  35          1HD1      LEU  35  -4.211  -2.693   5.179
  278   2HD1  LEU  35          2HD1      LEU  35  -4.760  -1.137   5.803
  279   3HD1  LEU  35          3HD1      LEU  35  -5.640  -1.922   4.490
  280   1HD2  LEU  35          1HD2      LEU  35  -7.049  -3.914   4.948
  281   2HD2  LEU  35          2HD2      LEU  35  -7.082  -4.606   6.569
  282   3HD2  LEU  35          3HD2      LEU  35  -5.628  -4.743   5.584
  283    H    TYR  36           H        TYR  36  -6.074   0.271   7.707
  284    HA   TYR  36           HA       TYR  36  -8.415   0.014   9.480
  285   1HB   TYR  36          2HB       TYR  36  -7.499   2.427   7.900
  286   2HB   TYR  36          1HB       TYR  36  -8.849   2.371   9.023
  287    HD1  TYR  36           HD1      TYR  36  -8.288   1.809  11.481
  288    HD2  TYR  36           HD2      TYR  36  -5.415   3.083   8.620
  289    HE1  TYR  36           HE1      TYR  36  -6.802   2.525  13.303
  290    HE2  TYR  36           HE2      TYR  36  -3.917   3.801  10.422
  291    HH   TYR  36           HH       TYR  36  -4.453   2.938  13.694
  292    H    SER  37           H        SER  37 -10.506   0.370   8.541
  293    HA   SER  37           HA       SER  37 -10.655   0.560   5.645
  294   1HB   SER  37          2HB       SER  37 -10.632  -1.864   6.082
  295   2HB   SER  37          1HB       SER  37 -12.000  -1.678   7.180
  296    HG   SER  37           HG       SER  37 -12.228  -2.219   4.724
  297    H    LEU  38           H        LEU  38 -12.103   2.045   5.155
  298    HA   LEU  38           HA       LEU  38 -14.353   2.457   6.994
  299   1HB   LEU  38          2HB       LEU  38 -14.713   4.631   5.911
  300   2HB   LEU  38          1HB       LEU  38 -13.118   4.507   6.620
  301    HG   LEU  38           HG       LEU  38 -13.485   4.003   3.692
  302   1HD1  LEU  38          1HD1      LEU  38 -14.635   6.110   4.160
  303   2HD1  LEU  38          2HD1      LEU  38 -13.126   6.392   3.292
  304   3HD1  LEU  38          3HD1      LEU  38 -13.215   6.695   5.026
  305   1HD2  LEU  38          1HD2      LEU  38 -11.207   4.888   3.607
  306   2HD2  LEU  38          2HD2      LEU  38 -11.308   3.533   4.726
  307   3HD2  LEU  38          3HD2      LEU  38 -11.250   5.181   5.344
  308    H    GLY  39           H        GLY  39 -13.767   0.454   4.763
  309   1HA   GLY  39          2HA       GLY  39 -15.464  -0.858   3.759
  310   2HA   GLY  39          1HA       GLY  39 -16.501   0.562   3.707
  311    H    HIS  40           H        HIS  40 -14.213   2.151   2.656
  312    HA   HIS  40           HA       HIS  40 -14.411   1.232  -0.130
  313   1HB   HIS  40          2HB       HIS  40 -13.926   4.068   0.810
  314   2HB   HIS  40          1HB       HIS  40 -14.261   3.540  -0.834
  315    HD1  HIS  40           HD1      HIS  40 -16.723   3.272  -1.503
  316    HD2  HIS  40           HD2      HIS  40 -16.179   4.050   2.549
  317    HE1  HIS  40           HE1      HIS  40 -19.015   3.727  -0.581
  318    HE2  HIS  40           HE2      HIS  40 -18.676   3.986   1.900
  319    H    TYR  41           H        TYR  41 -12.317   3.509   1.592
  320    HA   TYR  41           HA       TYR  41  -9.974   2.499   0.233
  321   1HB   TYR  41          2HB       TYR  41  -9.899   4.438   2.529
  322   2HB   TYR  41          1HB       TYR  41  -8.788   4.299   1.177
  323    HD1  TYR  41           HD1      TYR  41 -12.138   5.427   2.186
  324    HD2  TYR  41           HD2      TYR  41  -9.144   5.556  -0.825
  325    HE1  TYR  41           HE1      TYR  41 -13.334   7.264   1.112
  326    HE2  TYR  41           HE2      TYR  41 -10.333   7.407  -1.931
  327    HH   TYR  41           HH       TYR  41 -12.576   8.351  -2.048
  328    HA   PRO  42           HA       PRO  42  -8.760   0.113   3.861
  329   1HB   PRO  42          2HB       PRO  42  -6.914  -1.397   2.436
  330   2HB   PRO  42          1HB       PRO  42  -8.608  -1.829   2.667
  331   1HG   PRO  42          2HG       PRO  42  -7.305  -1.104   0.231
  332   2HG   PRO  42          1HG       PRO  42  -9.018  -1.478   0.474
  333   1HD   PRO  42          2HD       PRO  42  -7.668   1.156   0.279
  334   2HD   PRO  42          1HD       PRO  42  -9.354   0.721  -0.075
  335    H    GLY  43           H        GLY  43  -7.548   1.562   5.058
  336   1HA   GLY  43          2HA       GLY  43  -5.061   2.610   3.870
  337   2HA   GLY  43          1HA       GLY  43  -5.939   3.344   5.205
  338    H    ALA  44           H        ALA  44  -3.150   2.810   5.240
  339    HA   ALA  44           HA       ALA  44  -3.043   0.883   7.442
  340   1HB   ALA  44          1HB       ALA  44  -2.427  -0.362   5.415
  341   2HB   ALA  44          2HB       ALA  44  -1.071  -0.217   6.535
  342   3HB   ALA  44          3HB       ALA  44  -1.141   0.805   5.098
  343    H    VAL  45           H        VAL  45  -1.391   1.268   8.950
  344    HA   VAL  45           HA       VAL  45   0.363   3.578   8.552
  345    HB   VAL  45           HB       VAL  45  -0.289   4.681  10.618
  346   1HG1  VAL  45          1HG1      VAL  45  -2.645   4.201   8.806
  347   2HG1  VAL  45          2HG1      VAL  45  -1.422   5.465   8.651
  348   3HG1  VAL  45          3HG1      VAL  45  -2.544   5.485  10.011
  349   1HG2  VAL  45          1HG2      VAL  45  -2.383   2.530  10.843
  350   2HG2  VAL  45          2HG2      VAL  45  -2.290   3.966  11.867
  351   3HG2  VAL  45          3HG2      VAL  45  -0.993   2.770  11.900
  352    HA   PRO  46           HA       PRO  46   3.189   1.302  11.127
  353   1HB   PRO  46          2HB       PRO  46   4.116   3.267  12.821
  354   2HB   PRO  46          1HB       PRO  46   4.698   3.004  11.173
  355   1HG   PRO  46          2HG       PRO  46   2.692   4.977  12.182
  356   2HG   PRO  46          1HG       PRO  46   3.982   5.202  10.987
  357   1HD   PRO  46          2HD       PRO  46   1.433   4.873  10.237
  358   2HD   PRO  46          1HD       PRO  46   2.768   4.173   9.299
  359    H    GLY  47           H        GLY  47   3.394   0.323  13.116
  360   1HA   GLY  47          2HA       GLY  47   2.374   0.966  15.569
  361   2HA   GLY  47          1HA       GLY  47   1.014   0.234  14.717
  362    H    ASN  48           H        ASN  48   0.831  -1.796  15.566
  363    HA   ASN  48           HA       ASN  48   3.144  -3.532  15.111
  364   1HB   ASN  48          2HB       ASN  48   2.973  -2.989  17.563
  365   2HB   ASN  48          1HB       ASN  48   1.399  -3.776  17.567
  366   1HD2  ASN  48          1HD2      ASN  48   3.956  -4.408  18.930
  367   2HD2  ASN  48          2HD2      ASN  48   4.305  -6.060  18.512
  368    H    GLY  49           H        GLY  49   2.179  -4.179  13.257
  369   1HA   GLY  49          2HA       GLY  49   0.342  -6.383  13.579
  370   2HA   GLY  49          1HA       GLY  49  -0.275  -5.052  12.600
  371    H    THR  50           H        THR  50  -0.130  -7.213  11.149
  372    HA   THR  50           HA       THR  50   2.304  -6.781   9.564
  373    HB   THR  50           HB       THR  50   1.115  -9.497  10.159
  374    HG1  THR  50           HG1      THR  50   3.186  -8.003  11.240
  375   1HG2  THR  50          1HG2      THR  50   3.501  -8.715   8.475
  376   2HG2  THR  50          2HG2      THR  50   1.965  -9.335   7.867
  377   3HG2  THR  50          3HG2      THR  50   3.004 -10.365   8.854
  378    H    VAL  51           H        VAL  51   1.534  -5.798   7.816
  379    HA   VAL  51           HA       VAL  51  -1.081  -6.478   6.765
  380    HB   VAL  51           HB       VAL  51   0.965  -4.499   5.729
  381   1HG1  VAL  51          1HG1      VAL  51  -0.547  -5.204   3.965
  382   2HG1  VAL  51          2HG1      VAL  51  -0.922  -3.551   4.458
  383   3HG1  VAL  51          3HG1      VAL  51  -1.939  -4.884   5.002
  384   1HG2  VAL  51          1HG2      VAL  51  -0.482  -2.792   6.734
  385   2HG2  VAL  51          2HG2      VAL  51   0.176  -3.893   7.945
  386   3HG2  VAL  51          3HG2      VAL  51  -1.497  -4.064   7.412
  387    H    HIS  52           H        HIS  52  -1.237  -8.253   5.570
  388    HA   HIS  52           HA       HIS  52   1.041  -9.337   4.156
  389   1HB   HIS  52          2HB       HIS  52  -1.839 -10.231   4.394
  390   2HB   HIS  52          1HB       HIS  52  -0.612 -11.120   3.514
  391    HD1  HIS  52           HD1      HIS  52   0.810 -12.710   4.834
  392    HD2  HIS  52           HD2      HIS  52  -1.349 -10.097   7.246
  393    HE1  HIS  52           HE1      HIS  52   1.127 -13.537   7.188
  394    HE2  HIS  52           HE2      HIS  52  -0.371 -12.072   8.595
  395    H    GLY  53           H        GLY  53   0.971  -7.132   2.946
  396   1HA   GLY  53          2HA       GLY  53  -1.224  -6.644   1.192
  397   2HA   GLY  53          1HA       GLY  53   0.280  -5.743   1.255
  398    H    GLU  54           H        GLU  54  -0.846  -6.089  -1.104
  399    HA   GLU  54           HA       GLU  54   0.792  -8.157  -2.396
  400   1HB   GLU  54          2HB       GLU  54  -1.092  -7.954  -4.215
  401   2HB   GLU  54          1HB       GLU  54  -1.336  -8.962  -2.798
  402   1HG   GLU  54          2HG       GLU  54  -2.522  -7.026  -1.735
  403   2HG   GLU  54          1HG       GLU  54  -2.430  -6.204  -3.289
  404    H    VAL  55           H        VAL  55   2.406  -7.273  -3.502
  405    HA   VAL  55           HA       VAL  55   2.273  -4.458  -4.232
  406    HB   VAL  55           HB       VAL  55   4.575  -6.380  -4.636
  407   1HG1  VAL  55          1HG1      VAL  55   5.938  -4.311  -4.674
  408   2HG1  VAL  55          2HG1      VAL  55   4.449  -3.364  -4.622
  409   3HG1  VAL  55          3HG1      VAL  55   4.784  -4.402  -6.008
  410   1HG2  VAL  55          1HG2      VAL  55   3.983  -4.540  -2.322
  411   2HG2  VAL  55          2HG2      VAL  55   5.506  -5.392  -2.572
  412   3HG2  VAL  55          3HG2      VAL  55   4.024  -6.304  -2.286
  413    H    TYR  56           H        TYR  56   1.952  -3.674  -6.229
  414    HA   TYR  56           HA       TYR  56   1.944  -5.586  -8.475
  415   1HB   TYR  56          2HB       TYR  56  -0.056  -3.413  -7.844
  416   2HB   TYR  56          1HB       TYR  56   0.065  -4.168  -9.427
  417    HD1  TYR  56           HD1      TYR  56  -0.902  -6.290  -9.847
  418    HD2  TYR  56           HD2      TYR  56  -0.712  -4.784  -5.877
  419    HE1  TYR  56           HE1      TYR  56  -2.427  -8.071  -9.105
  420    HE2  TYR  56           HE2      TYR  56  -2.227  -6.559  -5.122
  421    HH   TYR  56           HH       TYR  56  -3.778  -8.095  -5.878
  422    H    ARG  57           H        ARG  57   2.359  -4.730 -10.536
  423    HA   ARG  57           HA       ARG  57   3.673  -2.092 -10.563
  424   1HB   ARG  57          2HB       ARG  57   5.127  -4.028 -11.174
  425   2HB   ARG  57          1HB       ARG  57   4.022  -4.394 -12.496
  426   1HG   ARG  57          2HG       ARG  57   4.511  -2.229 -13.513
  427   2HG   ARG  57          1HG       ARG  57   5.616  -1.856 -12.191
  428   1HD   ARG  57          2HD       ARG  57   6.862  -2.615 -14.116
  429   2HD   ARG  57          1HD       ARG  57   6.990  -3.796 -12.814
  430    HE   ARG  57           HE       ARG  57   5.214  -5.058 -14.065
  431   1HH1  ARG  57          1HH1      ARG  57   7.342  -2.831 -15.709
  432   2HH1  ARG  57          2HH1      ARG  57   7.307  -3.691 -17.215
  433   1HH2  ARG  57          1HH2      ARG  57   5.144  -6.208 -16.057
  434   2HH2  ARG  57          2HH2      ARG  57   6.054  -5.609 -17.415
  435    H    ILE  58           H        ILE  58   2.605  -0.538 -11.633
  436    HA   ILE  58           HA       ILE  58   0.842  -1.345 -13.850
  437    HB   ILE  58           HB       ILE  58  -0.848   0.173 -13.296
  438   1HG1  ILE  58          2HG1      ILE  58   0.634   2.099 -12.759
  439   2HG1  ILE  58          1HG1      ILE  58  -0.729   1.947 -11.666
  440   1HG2  ILE  58          1HG2      ILE  58  -0.933  -1.751 -11.851
  441   2HG2  ILE  58          2HG2      ILE  58  -1.500  -0.326 -10.982
  442   3HG2  ILE  58          3HG2      ILE  58   0.119  -0.957 -10.681
  443   1HD1  ILE  58          1HD1      ILE  58   1.302   2.587 -10.528
  444   2HD1  ILE  58          2HD1      ILE  58   2.091   1.110 -11.085
  445   3HD1  ILE  58          3HD1      ILE  58   0.725   1.015  -9.973
  446    H    ASP  59           H        ASP  59   0.297   0.806 -15.151
  447    HA   ASP  59           HA       ASP  59   2.565   1.837 -16.355
  448   1HB   ASP  59          2HB       ASP  59   0.325   1.981 -17.321
  449   2HB   ASP  59          1HB       ASP  59  -0.165   3.106 -16.062
  450    H    ASN  60           H        ASN  60   3.701   3.853 -16.160
  451    HA   ASN  60           HA       ASN  60   4.124   4.743 -13.488
  452   1HB   ASN  60          2HB       ASN  60   4.928   6.010 -16.123
  453   2HB   ASN  60          1HB       ASN  60   5.440   6.603 -14.551
  454   1HD2  ASN  60          1HD2      ASN  60   7.067   5.702 -16.727
  455   2HD2  ASN  60          2HD2      ASN  60   7.997   4.369 -16.124
  456    H    ALA  61           H        ALA  61   2.399   6.127 -16.256
  457    HA   ALA  61           HA       ALA  61   2.009   8.666 -15.077
  458   1HB   ALA  61          1HB       ALA  61   0.513   7.402 -17.366
  459   2HB   ALA  61          2HB       ALA  61   2.012   8.324 -17.497
  460   3HB   ALA  61          3HB       ALA  61   0.533   9.117 -16.953
  461    H    THR  62           H        THR  62   0.070   5.720 -15.120
  462    HA   THR  62           HA       THR  62  -2.365   6.800 -14.265
  463    HB   THR  62           HB       THR  62  -2.533   4.424 -13.117
  464    HG1  THR  62           HG1      THR  62  -0.703   3.391 -13.324
  465   1HG2  THR  62          1HG2      THR  62  -2.394   4.814 -16.104
  466   2HG2  THR  62          2HG2      THR  62  -3.794   5.129 -15.074
  467   3HG2  THR  62          3HG2      THR  62  -3.196   3.482 -15.269
  468    H    LEU  63           H        LEU  63   0.489   5.838 -12.496
  469    HA   LEU  63           HA       LEU  63  -0.628   5.934  -9.894
  470   1HB   LEU  63          2HB       LEU  63   1.649   4.933 -10.864
  471   2HB   LEU  63          1HB       LEU  63   2.268   6.490 -10.356
  472    HG   LEU  63           HG       LEU  63   2.675   4.812  -8.656
  473   1HD1  LEU  63          1HD1      LEU  63   2.260   7.084  -7.892
  474   2HD1  LEU  63          2HD1      LEU  63   1.668   5.900  -6.728
  475   3HD1  LEU  63          3HD1      LEU  63   0.532   6.742  -7.784
  476   1HD2  LEU  63          1HD2      LEU  63   0.873   3.676  -7.517
  477   2HD2  LEU  63          2HD2      LEU  63   0.829   3.327  -9.247
  478   3HD2  LEU  63          3HD2      LEU  63  -0.310   4.478  -8.547
  479    H    ALA  64           H        ALA  64   1.473   8.134 -11.712
  480    HA   ALA  64           HA       ALA  64   1.475  10.241  -9.863
  481   1HB   ALA  64          1HB       ALA  64   3.081  10.049 -11.706
  482   2HB   ALA  64          2HB       ALA  64   2.279  11.620 -11.699
  483   3HB   ALA  64          3HB       ALA  64   1.790  10.385 -12.860
  484    H    GLU  65           H        GLU  65  -0.833   9.260 -12.269
  485    HA   GLU  65           HA       GLU  65  -2.304  11.723 -12.290
  486   1HB   GLU  65          2HB       GLU  65  -2.382  10.153 -14.182
  487   2HB   GLU  65          1HB       GLU  65  -3.152   8.951 -13.155
  488   1HG   GLU  65          2HG       GLU  65  -5.079  10.410 -12.870
  489   2HG   GLU  65          1HG       GLU  65  -4.309  11.631 -13.882
  490    H    LEU  66           H        LEU  66  -2.856   8.529 -10.817
  491    HA   LEU  66           HA       LEU  66  -5.236   9.184  -9.483
  492   1HB   LEU  66          2HB       LEU  66  -4.227   6.882  -9.881
  493   2HB   LEU  66          1HB       LEU  66  -3.172   7.205  -8.522
  494    HG   LEU  66           HG       LEU  66  -6.162   7.325  -8.202
  495   1HD1  LEU  66          1HD1      LEU  66  -6.117   4.986  -7.510
  496   2HD1  LEU  66          2HD1      LEU  66  -4.413   4.882  -7.956
  497   3HD1  LEU  66          3HD1      LEU  66  -5.635   5.155  -9.201
  498   1HD2  LEU  66          1HD2      LEU  66  -5.626   6.761  -5.885
  499   2HD2  LEU  66          2HD2      LEU  66  -4.779   8.224  -6.386
  500   3HD2  LEU  66          3HD2      LEU  66  -3.911   6.693  -6.289
  501    H    ASP  67           H        ASP  67  -1.853   9.429  -8.510
  502    HA   ASP  67           HA       ASP  67  -2.138  10.251  -5.877
  503   1HB   ASP  67          2HB       ASP  67   0.035   9.766  -6.810
  504   2HB   ASP  67          1HB       ASP  67  -0.116  11.080  -7.967
  505    H    ALA  68           H        ALA  68  -1.805  12.343  -8.731
  506    HA   ALA  68           HA       ALA  68  -2.377  14.751  -7.311
  507   1HB   ALA  68          1HB       ALA  68  -0.995  14.693  -9.329
  508   2HB   ALA  68          2HB       ALA  68  -2.363  15.793  -9.515
  509   3HB   ALA  68          3HB       ALA  68  -2.399  14.204 -10.279
  510    H    LEU  69           H        LEU  69  -4.392  12.287  -8.469
  511    HA   LEU  69           HA       LEU  69  -6.726  13.987  -8.701
  512   1HB   LEU  69          2HB       LEU  69  -6.170  11.079  -8.991
  513   2HB   LEU  69          1HB       LEU  69  -7.808  11.559  -8.588
  514    HG   LEU  69           HG       LEU  69  -6.282  12.531 -11.005
  515   1HD1  LEU  69          1HD1      LEU  69  -7.766  11.069 -12.282
  516   2HD1  LEU  69          2HD1      LEU  69  -8.466  10.459 -10.783
  517   3HD1  LEU  69          3HD1      LEU  69  -6.773  10.142 -11.158
  518   1HD2  LEU  69          1HD2      LEU  69  -7.939  14.120 -10.224
  519   2HD2  LEU  69          2HD2      LEU  69  -9.160  12.848 -10.158
  520   3HD2  LEU  69          3HD2      LEU  69  -8.493  13.350 -11.713
  521    H    ARG  70           H        ARG  70  -5.438  11.594  -6.446
  522    HA   ARG  70           HA       ARG  70  -7.739  11.904  -4.726
  523   1HB   ARG  70          2HB       ARG  70  -6.810   9.681  -5.175
  524   2HB   ARG  70          1HB       ARG  70  -5.293  10.160  -4.432
  525   1HG   ARG  70          2HG       ARG  70  -6.632   8.779  -2.940
  526   2HG   ARG  70          1HG       ARG  70  -6.387  10.396  -2.280
  527   1HD   ARG  70          2HD       ARG  70  -8.866   9.677  -3.831
  528   2HD   ARG  70          1HD       ARG  70  -8.737   9.375  -2.099
  529    HE   ARG  70           HE       ARG  70  -8.037  12.033  -2.507
  530   1HH1  ARG  70          1HH1      ARG  70 -10.893  10.040  -2.995
  531   2HH1  ARG  70          2HH1      ARG  70 -11.994  11.356  -2.724
  532   1HH2  ARG  70          1HH2      ARG  70  -9.493  13.747  -2.166
  533   2HH2  ARG  70          2HH2      ARG  70 -11.206  13.456  -2.256
  534    H    THR  71           H        THR  71  -4.277  12.756  -4.602
  535    HA   THR  71           HA       THR  71  -4.863  14.325  -2.228
  536    HB   THR  71           HB       THR  71  -4.259  12.251  -1.208
  537    HG1  THR  71           HG1      THR  71  -1.828  13.626  -0.979
  538   1HG2  THR  71          1HG2      THR  71  -1.726  12.306  -2.850
  539   2HG2  THR  71          2HG2      THR  71  -3.082  11.201  -3.077
  540   3HG2  THR  71          3HG2      THR  71  -2.123  11.126  -1.599
  541    H    ARG  72           H        ARG  72  -4.476  16.132  -3.408
  542    HA   ARG  72           HA       ARG  72  -1.862  16.570  -4.605
  543   1HB   ARG  72          2HB       ARG  72  -4.153  18.500  -4.290
  544   2HB   ARG  72          1HB       ARG  72  -2.780  18.663  -5.358
  545   1HG   ARG  72          2HG       ARG  72  -3.568  16.935  -6.766
  546   2HG   ARG  72          1HG       ARG  72  -4.813  16.471  -5.602
  547   1HD   ARG  72          2HD       ARG  72  -5.870  18.672  -5.884
  548   2HD   ARG  72          1HD       ARG  72  -4.645  19.095  -7.079
  549    HE   ARG  72           HE       ARG  72  -5.569  17.026  -8.296
  550   1HH1  ARG  72          1HH1      ARG  72  -7.486  19.155  -6.284
  551   2HH1  ARG  72          2HH1      ARG  72  -8.940  18.926  -7.206
  552   1HH2  ARG  72          1HH2      ARG  72  -7.480  16.740  -9.536
  553   2HH2  ARG  72          2HH2      ARG  72  -8.944  17.554  -9.041
  554    H    GLY  73           H        GLY  73  -3.709  17.375  -1.763
  555   1HA   GLY  73          2HA       GLY  73  -1.755  19.445  -1.018
  556   2HA   GLY  73          1HA       GLY  73  -3.368  19.275  -0.345
  557    H    GLY  74           H        GLY  74  -3.461  16.665   0.404
  558   1HA   GLY  74          2HA       GLY  74  -1.392  15.485   1.720
  559   2HA   GLY  74          1HA       GLY  74  -1.858  16.795   2.798
  560    H    GLU  75           H        GLU  75  -3.928  14.919   0.697
  561    HA   GLU  75           HA       GLU  75  -5.838  14.424   2.731
  562   1HB   GLU  75          2HB       GLU  75  -5.445  13.328  -0.057
  563   2HB   GLU  75          1HB       GLU  75  -6.788  12.860   0.964
  564   1HG   GLU  75          2HG       GLU  75  -7.407  14.587  -0.650
  565   2HG   GLU  75          1HG       GLU  75  -7.605  15.125   1.014
  566    H    TYR  76           H        TYR  76  -3.327  12.540   1.151
  567    HA   TYR  76           HA       TYR  76  -3.186  10.827   3.515
  568   1HB   TYR  76          2HB       TYR  76  -2.971   9.654   0.743
  569   2HB   TYR  76          1HB       TYR  76  -3.025   8.792   2.269
  570    HD1  TYR  76           HD1      TYR  76  -5.143   8.451   3.440
  571    HD2  TYR  76           HD2      TYR  76  -5.012  10.492  -0.286
  572    HE1  TYR  76           HE1      TYR  76  -7.586   8.204   3.228
  573    HE2  TYR  76           HE2      TYR  76  -7.445  10.248  -0.511
  574    HH   TYR  76           HH       TYR  76  -9.239   8.794   0.327
  575    H    ALA  77           H        ALA  77  -1.081  10.019   3.866
  576    HA   ALA  77           HA       ALA  77   0.946  11.774   2.743
  577   1HB   ALA  77          1HB       ALA  77   0.865  11.413   5.161
  578   2HB   ALA  77          2HB       ALA  77   2.408  10.917   4.468
  579   3HB   ALA  77          3HB       ALA  77   1.211   9.702   4.912
  580    H    ARG  78           H        ARG  78   2.461  11.223   1.319
  581    HA   ARG  78           HA       ARG  78   2.459   8.609   0.120
  582   1HB   ARG  78          2HB       ARG  78   4.351  10.934  -0.249
  583   2HB   ARG  78          1HB       ARG  78   4.399   9.452  -1.181
  584   1HG   ARG  78          2HG       ARG  78   2.132   9.980  -2.044
  585   2HG   ARG  78          1HG       ARG  78   2.226  11.533  -1.199
  586   1HD   ARG  78          2HD       ARG  78   4.391  11.933  -2.395
  587   2HD   ARG  78          1HD       ARG  78   4.054  10.507  -3.364
  588    HE   ARG  78           HE       ARG  78   1.931  11.828  -4.000
  589   1HH1  ARG  78          1HH1      ARG  78   5.044  13.239  -3.233
  590   2HH1  ARG  78          2HH1      ARG  78   4.880  14.559  -4.343
  591   1HH2  ARG  78          1HH2      ARG  78   1.702  13.572  -5.478
  592   2HH2  ARG  78          2HH2      ARG  78   2.973  14.764  -5.601
  593    H    GLN  79           H        GLN  79   3.283   6.985   1.315
  594    HA   GLN  79           HA       GLN  79   5.939   7.427   2.509
  595   1HB   GLN  79          2HB       GLN  79   4.050   6.602   4.005
  596   2HB   GLN  79          1HB       GLN  79   4.074   5.117   3.072
  597   1HG   GLN  79          2HG       GLN  79   6.298   4.621   3.768
  598   2HG   GLN  79          1HG       GLN  79   6.470   6.203   4.523
  599   1HE2  GLN  79          1HE2      GLN  79   3.551   4.313   4.760
  600   2HE2  GLN  79          2HE2      GLN  79   3.712   3.923   6.433
  601    H    LEU  80           H        LEU  80   7.294   7.033   0.826
  602    HA   LEU  80           HA       LEU  80   6.792   4.857  -0.991
  603   1HB   LEU  80          2HB       LEU  80   7.862   6.919  -1.778
  604   2HB   LEU  80          1HB       LEU  80   9.217   6.630  -0.701
  605    HG   LEU  80           HG       LEU  80   9.719   4.542  -1.938
  606   1HD1  LEU  80          1HD1      LEU  80   7.500   4.069  -2.801
  607   2HD1  LEU  80          2HD1      LEU  80   8.666   4.182  -4.121
  608   3HD1  LEU  80          3HD1      LEU  80   7.560   5.520  -3.803
  609   1HD2  LEU  80          1HD2      LEU  80  10.861   6.644  -2.481
  610   2HD2  LEU  80          2HD2      LEU  80   9.600   7.016  -3.658
  611   3HD2  LEU  80          3HD2      LEU  80  10.654   5.623  -3.904
  612    H    ILE  81           H        ILE  81   7.178   2.834  -0.462
  613    HA   ILE  81           HA       ILE  81   9.294   2.300   1.505
  614    HB   ILE  81           HB       ILE  81   8.099   0.153   1.939
  615   1HG1  ILE  81          2HG1      ILE  81   5.895   1.450   0.329
  616   2HG1  ILE  81          1HG1      ILE  81   6.856   0.086  -0.218
  617   1HG2  ILE  81          1HG2      ILE  81   7.850   2.022   3.436
  618   2HG2  ILE  81          2HG2      ILE  81   6.289   1.219   3.259
  619   3HG2  ILE  81          3HG2      ILE  81   6.609   2.732   2.406
  620   1HD1  ILE  81          1HD1      ILE  81   4.992   0.117   2.142
  621   2HD1  ILE  81          2HD1      ILE  81   5.993  -1.250   1.650
  622   3HD1  ILE  81          3HD1      ILE  81   4.712  -0.668   0.587
  623    H    GLN  82           H        GLN  82  10.932   1.079   1.003
  624    HA   GLN  82           HA       GLN  82  11.282   0.256  -1.741
  625   1HB   GLN  82          2HB       GLN  82  12.970   1.250   0.144
  626   2HB   GLN  82          1HB       GLN  82  13.300  -0.465   0.312
  627   1HG   GLN  82          2HG       GLN  82  13.629   1.229  -2.151
  628   2HG   GLN  82          1HG       GLN  82  14.896   0.480  -1.181
  629   1HE2  GLN  82          1HE2      GLN  82  12.521   0.037  -3.619
  630   2HE2  GLN  82          2HE2      GLN  82  12.973  -1.573  -4.065
  631    H    THR  83           H        THR  83  10.067  -1.596  -2.183
  632    HA   THR  83           HA       THR  83  10.225  -3.793  -0.246
  633    HB   THR  83           HB       THR  83   8.328  -4.725  -1.199
  634    HG1  THR  83           HG1      THR  83   8.641  -3.223  -3.597
  635   1HG2  THR  83          1HG2      THR  83   7.755  -2.524  -0.289
  636   2HG2  THR  83          2HG2      THR  83   6.714  -2.943  -1.647
  637   3HG2  THR  83          3HG2      THR  83   8.034  -1.795  -1.872
  638    HA   PRO  84           HA       PRO  84  13.060  -6.302  -2.598
  639   1HB   PRO  84          2HB       PRO  84  11.083  -8.514  -2.568
  640   2HB   PRO  84          1HB       PRO  84  12.745  -8.479  -1.968
  641   1HG   PRO  84          2HG       PRO  84  10.678  -8.451  -0.282
  642   2HG   PRO  84          1HG       PRO  84  12.140  -7.499   0.040
  643   1HD   PRO  84          2HD       PRO  84   9.480  -6.598  -0.999
  644   2HD   PRO  84          1HD       PRO  84  10.568  -5.803   0.159
  645    H    TYR  85           H        TYR  85   9.835  -5.793  -3.648
  646    HA   TYR  85           HA       TYR  85  10.359  -6.860  -6.328
  647   1HB   TYR  85          2HB       TYR  85   7.792  -5.663  -5.261
  648   2HB   TYR  85          1HB       TYR  85   7.993  -6.644  -6.708
  649    HD1  TYR  85           HD1      TYR  85   7.635  -6.670  -3.084
  650    HD2  TYR  85           HD2      TYR  85   8.348  -9.074  -6.522
  651    HE1  TYR  85           HE1      TYR  85   7.127  -8.686  -1.773
  652    HE2  TYR  85           HE2      TYR  85   7.847 -11.096  -5.215
  653    HH   TYR  85           HH       TYR  85   6.421 -10.978  -2.105
  654    H    GLY  86           H        GLY  86  10.997  -4.140  -4.723
  655   1HA   GLY  86          2HA       GLY  86  11.883  -2.266  -6.073
  656   2HA   GLY  86          1HA       GLY  86  10.406  -2.381  -7.024
  657    H    SER  87           H        SER  87  11.292  -0.012  -5.710
  658    HA   SER  87           HA       SER  87   9.984   0.351  -3.232
  659   1HB   SER  87          2HB       SER  87  10.760   2.386  -5.321
  660   2HB   SER  87          1HB       SER  87  10.356   2.738  -3.645
  661    HG   SER  87           HG       SER  87  12.623   2.612  -3.975
  662    H    ALA  88           H        ALA  88   7.917   0.661  -2.772
  663    HA   ALA  88           HA       ALA  88   6.067   1.271  -4.989
  664   1HB   ALA  88          1HB       ALA  88   4.411  -0.174  -3.887
  665   2HB   ALA  88          2HB       ALA  88   5.614  -0.602  -2.667
  666   3HB   ALA  88          3HB       ALA  88   5.862  -1.063  -4.351
  667    H    TRP  89           H        TRP  89   4.240   2.523  -4.482
  668    HA   TRP  89           HA       TRP  89   4.710   4.399  -2.344
  669   1HB   TRP  89          2HB       TRP  89   2.562   4.242  -4.463
  670   2HB   TRP  89          1HB       TRP  89   2.662   5.526  -3.269
  671    HD1  TRP  89           HD1      TRP  89   3.950   4.543  -6.604
  672    HE1  TRP  89           HE1      TRP  89   5.670   6.270  -7.402
  673    HE3  TRP  89           HE3      TRP  89   4.646   7.097  -2.234
  674    HZ2  TRP  89           HZ2      TRP  89   7.149   8.426  -6.333
  675    HZ3  TRP  89           HZ3      TRP  89   6.230   8.978  -2.202
  676    HH2  TRP  89           HH2      TRP  89   7.457   9.627  -4.211
  677    H    MET  90           H        MET  90   3.953   4.216  -0.380
  678    HA   MET  90           HA       MET  90   1.438   2.755   0.090
  679   1HB   MET  90          2HB       MET  90   3.495   1.970   1.302
  680   2HB   MET  90          1HB       MET  90   3.579   3.543   2.089
  681   1HG   MET  90          2HG       MET  90   1.398   3.129   3.122
  682   2HG   MET  90          1HG       MET  90   1.342   1.544   2.351
  683   1HE   MET  90          1HE       MET  90   1.992   0.655   6.119
  684   2HE   MET  90          2HE       MET  90   0.942   0.407   4.725
  685   3HE   MET  90          3HE       MET  90   1.008   1.985   5.509
  686    H    TYR  91           H        TYR  91  -0.311   3.902   0.803
  687    HA   TYR  91           HA       TYR  91   0.152   6.738   1.440
  688   1HB   TYR  91          2HB       TYR  91  -2.227   5.322   0.242
  689   2HB   TYR  91          1HB       TYR  91  -2.367   6.928   0.950
  690    HD1  TYR  91           HD1      TYR  91  -1.379   5.023  -1.941
  691    HD2  TYR  91           HD2      TYR  91  -1.022   8.818  -0.049
  692    HE1  TYR  91           HE1      TYR  91  -0.677   6.017  -4.077
  693    HE2  TYR  91           HE2      TYR  91  -0.299   9.822  -2.177
  694    HH   TYR  91           HH       TYR  91   0.404   9.365  -4.301
  695    H    VAL  92           H        VAL  92   0.250   7.034   3.554
  696    HA   VAL  92           HA       VAL  92  -1.270   5.397   5.378
  697    HB   VAL  92           HB       VAL  92   0.769   7.561   5.690
  698   1HG1  VAL  92          1HG1      VAL  92   0.349   7.678   8.110
  699   2HG1  VAL  92          2HG1      VAL  92  -1.111   6.711   7.896
  700   3HG1  VAL  92          3HG1      VAL  92  -1.006   8.320   7.182
  701   1HG2  VAL  92          1HG2      VAL  92   0.380   4.905   7.065
  702   2HG2  VAL  92          2HG2      VAL  92   1.814   5.935   7.138
  703   3HG2  VAL  92          3HG2      VAL  92   1.361   5.160   5.619
  704    H    TYR  93           H        TYR  93  -3.227   5.815   6.094
  705    HA   TYR  93           HA       TYR  93  -4.826   7.849   5.043
  706   1HB   TYR  93          2HB       TYR  93  -5.430   5.576   6.226
  707   2HB   TYR  93          1HB       TYR  93  -5.489   6.574   7.673
  708    HD1  TYR  93           HD1      TYR  93  -7.180   8.414   7.828
  709    HD2  TYR  93           HD2      TYR  93  -7.121   5.673   4.579
  710    HE1  TYR  93           HE1      TYR  93  -9.472   9.077   7.232
  711    HE2  TYR  93           HE2      TYR  93  -9.408   6.330   3.974
  712    HH   TYR  93           HH       TYR  93 -11.408   7.319   5.165
  713    H    GLN  94           H        GLN  94  -4.387   9.929   5.355
  714    HA   GLN  94           HA       GLN  94  -2.986  10.745   7.754
  715   1HB   GLN  94          2HB       GLN  94  -2.496  11.416   5.260
  716   2HB   GLN  94          1HB       GLN  94  -3.738  12.629   5.548
  717   1HG   GLN  94          2HG       GLN  94  -1.783  13.749   6.042
  718   2HG   GLN  94          1HG       GLN  94  -2.368  13.240   7.619
  719   1HE2  GLN  94          1HE2      GLN  94  -1.497  10.406   6.934
  720   2HE2  GLN  94          2HE2      GLN  94   0.202  10.426   7.227
  721    H    ARG  95           H        ARG  95  -6.164  10.737   6.597
  722    HA   ARG  95           HA       ARG  95  -7.054  12.944   8.250
  723   1HB   ARG  95          2HB       ARG  95  -8.730  10.866   6.822
  724   2HB   ARG  95          1HB       ARG  95  -9.281  12.407   7.464
  725   1HG   ARG  95          2HG       ARG  95  -7.712  13.512   5.836
  726   2HG   ARG  95          1HG       ARG  95  -7.505  11.924   5.092
  727   1HD   ARG  95          2HD       ARG  95 -10.035  13.532   5.355
  728   2HD   ARG  95          1HD       ARG  95  -9.200  13.065   3.875
  729    HE   ARG  95           HE       ARG  95  -9.789  10.676   4.849
  730   1HH1  ARG  95          1HH1      ARG  95 -11.769  13.556   4.699
  731   2HH1  ARG  95          2HH1      ARG  95 -13.265  12.676   4.605
  732   1HH2  ARG  95          1HH2      ARG  95 -11.751   9.508   4.728
  733   2HH2  ARG  95          2HH2      ARG  95 -13.260  10.373   4.591
  734    HA   PRO  96           HA       PRO  96  -7.994  10.873  12.060
  735   1HB   PRO  96          2HB       PRO  96 -10.898  11.279  11.468
  736   2HB   PRO  96          1HB       PRO  96  -9.994  11.622  12.947
  737   1HG   PRO  96          2HG       PRO  96 -10.665  13.588  11.294
  738   2HG   PRO  96          1HG       PRO  96  -9.080  13.576  12.091
  739   1HD   PRO  96          2HD       PRO  96  -9.787  12.962   9.262
  740   2HD   PRO  96          1HD       PRO  96  -8.320  13.710   9.922
  741    H    VAL  97           H        VAL  97  -7.668   8.766  12.133
  742    HA   VAL  97           HA       VAL  97  -9.061   6.961  10.339
  743    HB   VAL  97           HB       VAL  97  -7.563   5.226  11.264
  744   1HG1  VAL  97          1HG1      VAL  97  -6.826   6.554   9.352
  745   2HG1  VAL  97          2HG1      VAL  97  -5.462   6.131  10.387
  746   3HG1  VAL  97          3HG1      VAL  97  -6.140   7.759  10.443
  747   1HG2  VAL  97          1HG2      VAL  97  -5.775   5.862  12.821
  748   2HG2  VAL  97          2HG2      VAL  97  -7.370   6.079  13.544
  749   3HG2  VAL  97          3HG2      VAL  97  -6.471   7.478  12.954
  750    H    ASP  98           H        ASP  98  -9.681   8.295  13.245
  751    HA   ASP  98           HA       ASP  98 -10.559   6.198  14.855
  752   1HB   ASP  98          2HB       ASP  98 -10.113   8.449  15.703
  753   2HB   ASP  98          1HB       ASP  98 -11.471   9.067  14.774
  754    H    GLY  99           H        GLY  99 -11.803   7.216  12.018
  755   1HA   GLY  99          2HA       GLY  99 -14.566   6.478  12.725
  756   2HA   GLY  99          1HA       GLY  99 -14.110   7.493  11.370
  757    H    LEU 100           H        LEU 100 -12.127   4.792  11.901
  758    HA   LEU 100           HA       LEU 100 -13.470   3.349   9.714
  759   1HB   LEU 100          2HB       LEU 100 -10.523   3.697  10.251
  760   2HB   LEU 100          1HB       LEU 100 -11.153   2.492   9.157
  761    HG   LEU 100           HG       LEU 100 -12.162   4.363   7.812
  762   1HD1  LEU 100          1HD1      LEU 100 -11.270   6.593   8.079
  763   2HD1  LEU 100          2HD1      LEU 100 -10.396   6.085   9.526
  764   3HD1  LEU 100          3HD1      LEU 100 -12.159   6.096   9.519
  765   1HD2  LEU 100          1HD2      LEU 100  -9.172   4.307   8.153
  766   2HD2  LEU 100          2HD2      LEU 100 -10.028   4.968   6.762
  767   3HD2  LEU 100          3HD2      LEU 100 -10.130   3.245   7.122
  768    H    LYS 101           H        LYS 101 -12.779   0.999   9.665
  769    HA   LYS 101           HA       LYS 101 -12.857  -0.116  12.358
  770   1HB   LYS 101          2HB       LYS 101 -13.001  -1.443   9.639
  771   2HB   LYS 101          1HB       LYS 101 -13.128  -2.294  11.173
  772   1HG   LYS 101          2HG       LYS 101 -15.150  -0.982  11.697
  773   2HG   LYS 101          1HG       LYS 101 -15.034  -0.217  10.109
  774   1HD   LYS 101          2HD       LYS 101 -15.254  -2.414   9.040
  775   2HD   LYS 101          1HD       LYS 101 -15.363  -3.178  10.625
  776   1HE   LYS 101          2HE       LYS 101 -17.396  -1.852  11.083
  777   2HE   LYS 101          1HE       LYS 101 -17.303  -1.192   9.452
  778   1HZ   LYS 101          1HZ       LYS 101 -18.860  -3.037   9.573
  779   2HZ   LYS 101          2HZ       LYS 101 -17.636  -4.067  10.142
  780   3HZ   LYS 101          3HZ       LYS 101 -17.550  -3.436   8.571
  781    H    LEU 102           H        LEU 102 -11.154  -1.154  13.295
  782    HA   LEU 102           HA       LEU 102  -8.610  -0.915  11.860
  783   1HB   LEU 102          2HB       LEU 102  -8.644   0.322  13.911
  784   2HB   LEU 102          1HB       LEU 102  -9.268  -1.054  14.799
  785    HG   LEU 102           HG       LEU 102  -7.134  -2.238  14.461
  786   1HD1  LEU 102          1HD1      LEU 102  -5.198  -1.045  13.583
  787   2HD1  LEU 102          2HD1      LEU 102  -6.219   0.338  13.191
  788   3HD1  LEU 102          3HD1      LEU 102  -6.461  -1.199  12.361
  789   1HD2  LEU 102          1HD2      LEU 102  -5.786  -0.857  15.964
  790   2HD2  LEU 102          2HD2      LEU 102  -7.472  -0.933  16.477
  791   3HD2  LEU 102          3HD2      LEU 102  -6.861   0.510  15.666
  792    H    ILE 103           H        ILE 103  -7.838  -2.715  10.988
  793    HA   ILE 103           HA       ILE 103  -8.436  -5.283  12.238
  794    HB   ILE 103           HB       ILE 103  -7.042  -4.756   9.604
  795   1HG1  ILE 103          2HG1      ILE 103  -9.896  -5.628  10.115
  796   2HG1  ILE 103          1HG1      ILE 103  -9.414  -4.019   9.592
  797   1HG2  ILE 103          1HG2      ILE 103  -6.440  -6.881  10.628
  798   2HG2  ILE 103          2HG2      ILE 103  -7.436  -7.137   9.196
  799   3HG2  ILE 103          3HG2      ILE 103  -8.145  -7.296  10.804
  800   1HD1  ILE 103          1HD1      ILE 103  -8.991  -6.565   8.029
  801   2HD1  ILE 103          2HD1      ILE 103  -8.580  -4.933   7.501
  802   3HD1  ILE 103          3HD1      ILE 103 -10.267  -5.377   7.751
  803    H    GLU 104           H        GLU 104  -7.154  -5.272  13.950
  804    HA   GLU 104           HA       GLU 104  -4.530  -4.422  14.232
  805   1HB   GLU 104          2HB       GLU 104  -4.510  -6.065  16.155
  806   2HB   GLU 104          1HB       GLU 104  -5.850  -4.922  16.158
  807   1HG   GLU 104          2HG       GLU 104  -7.247  -6.683  15.073
  808   2HG   GLU 104          1HG       GLU 104  -5.915  -7.810  15.321
  809    H    SER 105           H        SER 105  -5.772  -7.174  12.609
  810    HA   SER 105           HA       SER 105  -3.521  -8.896  12.921
  811   1HB   SER 105          2HB       SER 105  -5.654  -8.925  10.774
  812   2HB   SER 105          1HB       SER 105  -4.580 -10.257  11.194
  813    HG   SER 105           HG       SER 105  -6.396 -10.698  12.281
  814    H    GLY 106           H        GLY 106  -4.580  -6.637  10.409
  815   1HA   GLY 106          2HA       GLY 106  -3.135  -5.569   8.854
  816   2HA   GLY 106          1HA       GLY 106  -1.931  -6.815   9.160
  817    H    ASP 107           H        ASP 107  -4.711  -8.422   8.970
  818    HA   ASP 107           HA       ASP 107  -4.394  -9.050   6.131
  819   1HB   ASP 107          2HB       ASP 107  -5.852 -10.484   8.365
  820   2HB   ASP 107          1HB       ASP 107  -5.892 -10.993   6.684
  821    H    TRP 108           H        TRP 108  -6.397  -9.420   4.896
  822    HA   TRP 108           HA       TRP 108  -8.513  -7.518   5.599
  823   1HB   TRP 108          2HB       TRP 108  -9.053  -8.850   3.125
  824   2HB   TRP 108          1HB       TRP 108  -8.619  -7.164   3.365
  825    HD1  TRP 108           HD1      TRP 108  -7.431 -10.160   1.650
  826    HE1  TRP 108           HE1      TRP 108  -4.945  -9.901   0.972
  827    HE3  TRP 108           HE3      TRP 108  -6.271  -6.112   4.476
  828    HZ2  TRP 108           HZ2      TRP 108  -2.779  -8.178   1.604
  829    HZ3  TRP 108           HZ3      TRP 108  -4.012  -5.216   4.423
  830    HH2  TRP 108           HH2      TRP 108  -2.279  -6.221   3.008
  831    H    LEU 109           H        LEU 109  -7.940 -10.779   4.545
  832    HA   LEU 109           HA       LEU 109 -10.534 -11.643   5.536
  833   1HB   LEU 109          2HB       LEU 109  -8.593 -13.015   3.680
  834   2HB   LEU 109          1HB       LEU 109 -10.155 -13.652   4.164
  835    HG   LEU 109           HG       LEU 109  -9.913 -11.006   2.759
  836   1HD1  LEU 109          1HD1      LEU 109 -10.258 -13.709   1.473
  837   2HD1  LEU 109          2HD1      LEU 109  -8.828 -12.682   1.358
  838   3HD1  LEU 109          3HD1      LEU 109 -10.355 -12.145   0.661
  839   1HD2  LEU 109          1HD2      LEU 109 -12.148 -13.013   3.027
  840   2HD2  LEU 109          2HD2      LEU 109 -12.227 -11.499   2.123
  841   3HD2  LEU 109          3HD2      LEU 109 -12.021 -11.470   3.875
  842    H    ASP 110           H        ASP 110  -9.798 -11.542   7.718
  843    HA   ASP 110           HA       ASP 110  -7.520 -12.967   8.639
  844   1HB   ASP 110          2HB       ASP 110  -8.561 -11.016   9.811
  845   2HB   ASP 110          1HB       ASP 110  -9.918 -12.044  10.243
  846    H    ARG 111           H        ARG 111 -10.620 -13.662  10.156
  847    HA   ARG 111           HA       ARG 111 -11.988 -15.405  10.200
  848   1HB   ARG 111          2HB       ARG 111 -10.400 -16.314   7.815
  849   2HB   ARG 111          1HB       ARG 111 -11.710 -17.264   8.502
  850   1HG   ARG 111          2HG       ARG 111 -11.855 -14.572   7.184
  851   2HG   ARG 111          1HG       ARG 111 -12.658 -16.072   6.714
  852   1HD   ARG 111          2HD       ARG 111 -13.268 -14.283   9.056
  853   2HD   ARG 111          1HD       ARG 111 -14.323 -14.720   7.714
  854    HE   ARG 111           HE       ARG 111 -13.639 -17.068   9.061
  855   1HH1  ARG 111          1HH1      ARG 111 -15.430 -14.121   9.669
  856   2HH1  ARG 111          2HH1      ARG 111 -16.503 -14.867  10.819
  857   1HH2  ARG 111          1HH2      ARG 111 -14.994 -18.034  10.618
  858   2HH2  ARG 111          2HH2      ARG 111 -16.241 -17.083  11.373
  859    H    ASP 112           H        ASP 112 -12.152 -17.017  11.419
  860    HA   ASP 112           HA       ASP 112 -10.459 -18.213  13.085
  861   1HB   ASP 112          2HB       ASP 112 -11.904 -20.204  13.056
  862   2HB   ASP 112          1HB       ASP 112 -12.856 -18.731  13.001
  863    H    LYS 113           H        LYS 113 -11.021 -19.402   9.798
  864    HA   LYS 113           HA       LYS 113  -9.807 -20.652   8.355
  865   1HB   LYS 113          2HB       LYS 113  -8.063 -18.873   9.277
  866   2HB   LYS 113          1HB       LYS 113  -7.320 -20.316   9.951
  867   1HG   LYS 113          2HG       LYS 113  -7.060 -21.277   7.775
  868   2HG   LYS 113          1HG       LYS 113  -7.989 -19.965   7.046
  869   1HD   LYS 113          2HD       LYS 113  -6.229 -18.387   7.921
  870   2HD   LYS 113          1HD       LYS 113  -5.278 -19.808   8.351
  871   1HE   LYS 113          2HE       LYS 113  -4.520 -18.978   6.228
  872   2HE   LYS 113          1HE       LYS 113  -5.343 -20.516   5.982
  873   1HZ   LYS 113          1HZ       LYS 113  -5.875 -18.650   4.376
  874   2HZ   LYS 113          2HZ       LYS 113  -6.738 -17.927   5.645
  875   3HZ   LYS 113          3HZ       LYS 113  -7.200 -19.452   5.067
  Start of MODEL   10
    1   1H    MET   1          1HT       MET   1   3.394   3.460 -13.089
    2   2H    MET   1          2HT       MET   1   2.243   2.940 -11.967
    3   3H    MET   1          3HT       MET   1   3.144   1.808 -12.842
    4    HA   MET   1           HA       MET   1   5.169   2.579 -11.785
    5   1HB   MET   1          2HB       MET   1   3.963   4.865 -11.328
    6   2HB   MET   1          1HB       MET   1   3.438   4.085  -9.845
    7   1HG   MET   1          2HG       MET   1   5.646   3.866  -9.061
    8   2HG   MET   1          1HG       MET   1   6.327   4.247 -10.642
    9   1HE   MET   1          1HE       MET   1   4.372   6.635 -11.498
   10   2HE   MET   1          2HE       MET   1   6.115   6.725 -11.767
   11   3HE   MET   1          3HE       MET   1   5.277   8.054 -10.966
   12    H    ARG   2           H        ARG   2   5.559   2.013  -9.287
   13    HA   ARG   2           HA       ARG   2   4.120  -0.486  -8.946
   14   1HB   ARG   2          2HB       ARG   2   6.559   0.603  -7.540
   15   2HB   ARG   2          1HB       ARG   2   5.915  -1.020  -7.375
   16   1HG   ARG   2          2HG       ARG   2   6.434  -1.540  -9.641
   17   2HG   ARG   2          1HG       ARG   2   6.876   0.135  -9.966
   18   1HD   ARG   2          2HD       ARG   2   8.726  -0.067  -8.347
   19   2HD   ARG   2          1HD       ARG   2   8.293  -1.759  -8.095
   20    HE   ARG   2           HE       ARG   2   8.666  -1.386 -10.826
   21   1HH1  ARG   2          1HH1      ARG   2  10.605  -1.233  -7.928
   22   2HH1  ARG   2          2HH1      ARG   2  12.067  -1.725  -8.720
   23   1HH2  ARG   2          1HH2      ARG   2  10.575  -2.006 -11.880
   24   2HH2  ARG   2          2HH2      ARG   2  12.052  -2.164 -10.978
   25    H    ILE   3           H        ILE   3   2.565  -0.737  -7.491
   26    HA   ILE   3           HA       ILE   3   2.401   1.200  -5.268
   27    HB   ILE   3           HB       ILE   3   0.019  -0.148  -6.550
   28   1HG1  ILE   3          2HG1      ILE   3   1.007   2.683  -6.952
   29   2HG1  ILE   3          1HG1      ILE   3   1.088   1.398  -8.151
   30   1HG2  ILE   3          1HG2      ILE   3   0.232   2.169  -4.626
   31   2HG2  ILE   3          2HG2      ILE   3  -0.296   0.534  -4.225
   32   3HG2  ILE   3          3HG2      ILE   3  -1.263   1.535  -5.311
   33   1HD1  ILE   3          1HD1      ILE   3  -1.433   2.545  -6.972
   34   2HD1  ILE   3          2HD1      ILE   3  -1.348   1.278  -8.196
   35   3HD1  ILE   3          3HD1      ILE   3  -0.781   2.905  -8.569
   36    H    PHE   4           H        PHE   4   1.847   0.422  -3.268
   37    HA   PHE   4           HA       PHE   4   1.936  -2.469  -2.890
   38   1HB   PHE   4          2HB       PHE   4   3.281  -1.082  -1.382
   39   2HB   PHE   4          1HB       PHE   4   1.848  -0.178  -0.904
   40    HD1  PHE   4           HD1      PHE   4   0.465  -0.935   0.827
   41    HD2  PHE   4           HD2      PHE   4   3.437  -3.517  -0.785
   42    HE1  PHE   4           HE1      PHE   4   0.071  -2.531   2.662
   43    HE2  PHE   4           HE2      PHE   4   3.048  -5.111   1.040
   44    HZ   PHE   4           HZ       PHE   4   1.364  -4.624   2.765
   45    H    VAL   5           H        VAL   5   0.051  -3.509  -3.137
   46    HA   VAL   5           HA       VAL   5  -2.432  -2.062  -2.678
   47    HB   VAL   5           HB       VAL   5  -1.987  -4.836  -3.796
   48   1HG1  VAL   5          1HG1      VAL   5  -4.322  -4.847  -4.377
   49   2HG1  VAL   5          2HG1      VAL   5  -4.532  -3.214  -3.747
   50   3HG1  VAL   5          3HG1      VAL   5  -4.178  -4.545  -2.647
   51   1HG2  VAL   5          1HG2      VAL   5  -2.585  -3.822  -5.937
   52   2HG2  VAL   5          2HG2      VAL   5  -1.159  -3.048  -5.243
   53   3HG2  VAL   5          3HG2      VAL   5  -2.727  -2.247  -5.156
   54    H    TYR   6           H        TYR   6  -2.869  -1.924  -0.607
   55    HA   TYR   6           HA       TYR   6  -2.674  -4.277   1.095
   56   1HB   TYR   6          2HB       TYR   6  -3.339  -2.579   2.906
   57   2HB   TYR   6          1HB       TYR   6  -1.747  -2.405   2.180
   58    HD1  TYR   6           HD1      TYR   6  -1.503  -0.663   0.288
   59    HD2  TYR   6           HD2      TYR   6  -4.822  -0.765   2.948
   60    HE1  TYR   6           HE1      TYR   6  -2.006   1.680  -0.255
   61    HE2  TYR   6           HE2      TYR   6  -5.335   1.574   2.400
   62    HH   TYR   6           HH       TYR   6  -4.143   3.564   1.546
   63    H    GLY   7           H        GLY   7  -4.337  -5.551   0.498
   64   1HA   GLY   7          2HA       GLY   7  -6.651  -5.934   1.410
   65   2HA   GLY   7          1HA       GLY   7  -7.047  -4.389   0.668
   66    H    SER   8           H        SER   8  -8.682  -6.077  -0.236
   67    HA   SER   8           HA       SER   8  -7.701  -7.764  -2.335
   68   1HB   SER   8          2HB       SER   8  -9.795  -8.202  -1.001
   69   2HB   SER   8          1HB       SER   8 -10.557  -6.878  -1.883
   70    HG   SER   8           HG       SER   8  -9.974  -9.445  -2.686
   71    H    LEU   9           H        LEU   9  -7.099  -7.103  -4.274
   72    HA   LEU   9           HA       LEU   9  -8.049  -4.556  -5.344
   73   1HB   LEU   9          2HB       LEU   9  -6.379  -4.889  -7.105
   74   2HB   LEU   9          1HB       LEU   9  -5.666  -4.980  -5.509
   75    HG   LEU   9           HG       LEU   9  -6.466  -7.555  -6.740
   76   1HD1  LEU   9          1HD1      LEU   9  -5.503  -6.412  -8.652
   77   2HD1  LEU   9          2HD1      LEU   9  -4.400  -7.656  -8.059
   78   3HD1  LEU   9          3HD1      LEU   9  -4.094  -5.957  -7.693
   79   1HD2  LEU   9          1HD2      LEU   9  -4.034  -6.619  -5.214
   80   2HD2  LEU   9          2HD2      LEU   9  -4.360  -8.281  -5.704
   81   3HD2  LEU   9          3HD2      LEU   9  -5.412  -7.484  -4.538
   82    H    ARG  10           H        ARG  10  -9.353  -7.392  -5.163
   83    HA   ARG  10           HA       ARG  10  -9.792  -8.084  -7.921
   84   1HB   ARG  10          2HB       ARG  10 -10.860  -9.214  -5.336
   85   2HB   ARG  10          1HB       ARG  10 -11.278  -9.857  -6.921
   86   1HG   ARG  10          2HG       ARG  10  -8.984 -10.408  -7.367
   87   2HG   ARG  10          1HG       ARG  10  -8.466  -9.624  -5.876
   88   1HD   ARG  10          2HD       ARG  10  -9.589 -11.281  -4.550
   89   2HD   ARG  10          1HD       ARG  10 -10.321 -11.998  -5.985
   90    HE   ARG  10           HE       ARG  10  -7.899 -12.451  -6.664
   91   1HH1  ARG  10          1HH1      ARG  10  -8.973 -12.401  -3.320
   92   2HH1  ARG  10          2HH1      ARG  10  -7.760 -13.524  -2.794
   93   1HH2  ARG  10          1HH2      ARG  10  -6.320 -13.918  -5.963
   94   2HH2  ARG  10          2HH2      ARG  10  -6.231 -14.367  -4.284
   95    H    HIS  11           H        HIS  11 -10.856  -5.495  -6.653
   96    HA   HIS  11           HA       HIS  11 -13.697  -5.819  -7.323
   97   1HB   HIS  11          2HB       HIS  11 -12.193  -3.733  -5.776
   98   2HB   HIS  11          1HB       HIS  11 -13.795  -3.393  -6.424
   99    HD1  HIS  11           HD1      HIS  11 -12.531  -4.057  -3.343
  100    HD2  HIS  11           HD2      HIS  11 -15.407  -6.036  -5.610
  101    HE1  HIS  11           HE1      HIS  11 -13.922  -5.363  -1.697
  102    HE2  HIS  11           HE2      HIS  11 -15.743  -6.443  -3.079
  103    H    LYS  12           H        LYS  12 -14.696  -3.908  -8.472
  104    HA   LYS  12           HA       LYS  12 -13.469  -3.583 -10.994
  105   1HB   LYS  12          2HB       LYS  12 -15.762  -2.031  -9.772
  106   2HB   LYS  12          1HB       LYS  12 -15.318  -2.024 -11.474
  107   1HG   LYS  12          2HG       LYS  12 -15.816  -4.407 -11.622
  108   2HG   LYS  12          1HG       LYS  12 -16.252  -4.427  -9.913
  109   1HD   LYS  12          2HD       LYS  12 -18.272  -4.297 -11.176
  110   2HD   LYS  12          1HD       LYS  12 -18.009  -2.720 -10.430
  111   1HE   LYS  12          2HE       LYS  12 -17.093  -1.877 -12.539
  112   2HE   LYS  12          1HE       LYS  12 -17.352  -3.455 -13.283
  113   1HZ   LYS  12          1HZ       LYS  12 -19.139  -1.972 -13.861
  114   2HZ   LYS  12          2HZ       LYS  12 -19.452  -1.643 -12.226
  115   3HZ   LYS  12          3HZ       LYS  12 -19.737  -3.195 -12.845
  116    H    GLN  13           H        GLN  13 -11.820  -2.364 -11.445
  117    HA   GLN  13           HA       GLN  13 -10.185  -0.825 -11.364
  118   1HB   GLN  13          2HB       GLN  13 -12.439   0.958 -10.443
  119   2HB   GLN  13          1HB       GLN  13 -10.822   1.537 -10.819
  120   1HG   GLN  13          2HG       GLN  13 -12.256   1.949 -12.686
  121   2HG   GLN  13          1HG       GLN  13 -11.085   0.704 -13.122
  122   1HE2  GLN  13          1HE2      GLN  13 -14.399   1.357 -12.316
  123   2HE2  GLN  13          2HE2      GLN  13 -15.045  -0.106 -12.959
  124    H    GLY  14           H        GLY  14 -10.739  -2.506  -9.025
  125   1HA   GLY  14          2HA       GLY  14 -10.490  -0.864  -6.682
  126   2HA   GLY  14          1HA       GLY  14 -10.497  -2.616  -6.737
  127    H    ASN  15           H        ASN  15  -8.476   0.250  -7.123
  128    HA   ASN  15           HA       ASN  15  -6.482   0.655  -6.092
  129   1HB   ASN  15          2HB       ASN  15  -6.779  -2.186  -5.116
  130   2HB   ASN  15          1HB       ASN  15  -5.418  -1.154  -4.691
  131   1HD2  ASN  15          1HD2      ASN  15  -5.723   0.555  -3.288
  132   2HD2  ASN  15          2HD2      ASN  15  -7.153   0.731  -2.339
  133    H    SER  16           H        SER  16  -6.896  -0.786  -8.781
  134    HA   SER  16           HA       SER  16  -4.204  -0.752  -9.594
  135   1HB   SER  16          2HB       SER  16  -4.053  -3.249 -10.122
  136   2HB   SER  16          1HB       SER  16  -3.881  -2.801  -8.422
  137    HG   SER  16           HG       SER  16  -5.851  -3.593  -7.991
  138    H    HIS  17           H        HIS  17  -7.172  -2.531 -10.222
  139    HA   HIS  17           HA       HIS  17  -6.981  -2.535 -13.058
  140   1HB   HIS  17          2HB       HIS  17  -8.196  -4.189 -11.663
  141   2HB   HIS  17          1HB       HIS  17  -9.373  -2.958 -11.240
  142    HD1  HIS  17           HD1      HIS  17  -8.188  -4.946 -14.250
  143    HD2  HIS  17           HD2      HIS  17 -11.449  -2.702 -12.995
  144    HE1  HIS  17           HE1      HIS  17  -9.967  -5.310 -15.983
  145    HE2  HIS  17           HE2      HIS  17 -11.872  -3.809 -15.289
  146    H    TRP  18           H        TRP  18  -7.262   0.157 -11.314
  147    HA   TRP  18           HA       TRP  18  -9.467   1.626 -11.988
  148   1HB   TRP  18          2HB       TRP  18  -6.577   2.396 -11.799
  149   2HB   TRP  18          1HB       TRP  18  -7.782   3.590 -12.255
  150    HD1  TRP  18           HD1      TRP  18  -9.970   3.571 -10.296
  151    HE1  TRP  18           HE1      TRP  18  -9.641   3.781  -7.751
  152    HE3  TRP  18           HE3      TRP  18  -5.110   2.052  -9.989
  153    HZ2  TRP  18           HZ2      TRP  18  -7.577   3.374  -5.863
  154    HZ3  TRP  18           HZ3      TRP  18  -4.018   2.007  -7.784
  155    HH2  TRP  18           HH2      TRP  18  -5.231   2.650  -5.763
  156    H    MET  19           H        MET  19  -6.551   1.375 -13.964
  157    HA   MET  19           HA       MET  19  -8.251   1.506 -16.359
  158   1HB   MET  19          2HB       MET  19  -5.537   2.790 -16.020
  159   2HB   MET  19          1HB       MET  19  -6.342   2.582 -17.566
  160   1HG   MET  19          2HG       MET  19  -8.275   3.880 -16.278
  161   2HG   MET  19          1HG       MET  19  -6.884   4.498 -15.383
  162   1HE   MET  19          1HE       MET  19  -4.910   3.908 -18.055
  163   2HE   MET  19          2HE       MET  19  -4.588   5.247 -16.950
  164   3HE   MET  19          3HE       MET  19  -4.739   5.550 -18.682
  165    H    THR  20           H        THR  20  -5.058   0.634 -15.092
  166    HA   THR  20           HA       THR  20  -4.717  -1.505 -16.990
  167    HB   THR  20           HB       THR  20  -3.092  -1.532 -14.553
  168    HG1  THR  20           HG1      THR  20  -3.141   0.701 -16.327
  169   1HG2  THR  20          1HG2      THR  20  -2.426  -1.440 -17.492
  170   2HG2  THR  20          2HG2      THR  20  -2.567  -2.893 -16.503
  171   3HG2  THR  20          3HG2      THR  20  -1.275  -1.736 -16.189
  172    H    ASN  21           H        ASN  21  -3.563  -3.294 -14.945
  173    HA   ASN  21           HA       ASN  21  -5.943  -4.162 -13.488
  174   1HB   ASN  21          2HB       ASN  21  -4.306  -6.052 -15.200
  175   2HB   ASN  21          1HB       ASN  21  -5.765  -6.437 -14.288
  176   1HD2  ASN  21          1HD2      ASN  21  -4.496  -4.577 -16.949
  177   2HD2  ASN  21          2HD2      ASN  21  -5.982  -4.404 -17.799
  178    H    ALA  22           H        ALA  22  -2.831  -5.598 -14.283
  179    HA   ALA  22           HA       ALA  22  -1.488  -5.102 -11.894
  180   1HB   ALA  22          1HB       ALA  22  -3.384  -6.316 -10.849
  181   2HB   ALA  22          2HB       ALA  22  -1.825  -7.092 -10.578
  182   3HB   ALA  22          3HB       ALA  22  -2.939  -7.747 -11.778
  183    H    GLN  23           H        GLN  23   0.491  -5.345 -12.635
  184    HA   GLN  23           HA       GLN  23   1.185  -7.954 -13.791
  185   1HB   GLN  23          2HB       GLN  23   1.960  -6.074 -15.154
  186   2HB   GLN  23          1HB       GLN  23   2.749  -5.360 -13.756
  187   1HG   GLN  23          2HG       GLN  23   4.237  -7.325 -13.636
  188   2HG   GLN  23          1HG       GLN  23   3.484  -7.948 -15.102
  189   1HE2  GLN  23          1HE2      GLN  23   6.258  -7.180 -14.546
  190   2HE2  GLN  23          2HE2      GLN  23   6.663  -5.985 -15.736
  191    H    LEU  24           H        LEU  24   1.419  -9.259 -12.065
  192    HA   LEU  24           HA       LEU  24   2.009  -8.339  -9.484
  193   1HB   LEU  24          2HB       LEU  24   0.782 -10.405  -9.899
  194   2HB   LEU  24          1HB       LEU  24   2.217 -11.132 -10.598
  195    HG   LEU  24           HG       LEU  24   3.348 -11.056  -8.433
  196   1HD1  LEU  24          1HD1      LEU  24   0.776  -9.847  -7.431
  197   2HD1  LEU  24          2HD1      LEU  24   2.351  -9.056  -7.509
  198   3HD1  LEU  24          3HD1      LEU  24   2.102 -10.415  -6.414
  199   1HD2  LEU  24          1HD2      LEU  24   0.596 -12.270  -8.289
  200   2HD2  LEU  24          2HD2      LEU  24   1.950 -12.666  -7.234
  201   3HD2  LEU  24          3HD2      LEU  24   2.042 -13.029  -8.957
  202    H    LEU  25           H        LEU  25   3.825  -7.543  -8.791
  203    HA   LEU  25           HA       LEU  25   6.387  -8.421  -9.817
  204   1HB   LEU  25          2HB       LEU  25   5.619  -6.484  -7.628
  205   2HB   LEU  25          1HB       LEU  25   7.264  -6.793  -8.135
  206    HG   LEU  25           HG       LEU  25   5.096  -5.607  -9.861
  207   1HD1  LEU  25          1HD1      LEU  25   7.546  -4.350  -8.639
  208   2HD1  LEU  25          2HD1      LEU  25   5.882  -4.094  -8.109
  209   3HD1  LEU  25          3HD1      LEU  25   6.391  -3.557  -9.711
  210   1HD2  LEU  25          1HD2      LEU  25   8.025  -6.048 -10.435
  211   2HD2  LEU  25          2HD2      LEU  25   6.871  -5.225 -11.487
  212   3HD2  LEU  25          3HD2      LEU  25   6.685  -6.947 -11.152
  213    H    GLY  26           H        GLY  26   4.498  -8.535  -6.845
  214   1HA   GLY  26          2HA       GLY  26   4.876 -11.108  -6.143
  215   2HA   GLY  26          1HA       GLY  26   6.344 -10.339  -5.553
  216    H    ASP  27           H        ASP  27   4.012 -11.578  -4.094
  217    HA   ASP  27           HA       ASP  27   2.734  -9.360  -2.817
  218   1HB   ASP  27          2HB       ASP  27   1.849 -10.973  -1.194
  219   2HB   ASP  27          1HB       ASP  27   1.552 -11.462  -2.849
  220    H    PHE  28           H        PHE  28   2.925  -8.764  -0.674
  221    HA   PHE  28           HA       PHE  28   5.351  -9.364   0.763
  222   1HB   PHE  28          2HB       PHE  28   6.230  -7.856  -0.931
  223   2HB   PHE  28          1HB       PHE  28   4.977  -6.677  -0.582
  224    HD1  PHE  28           HD1      PHE  28   6.285  -4.837  -0.023
  225    HD2  PHE  28           HD2      PHE  28   6.965  -8.561   1.919
  226    HE1  PHE  28           HE1      PHE  28   7.775  -3.721   1.583
  227    HE2  PHE  28           HE2      PHE  28   8.456  -7.451   3.534
  228    HZ   PHE  28           HZ       PHE  28   8.852  -5.021   3.369
  229    H    SER  29           H        SER  29   4.320  -9.694   2.636
  230    HA   SER  29           HA       SER  29   2.334  -7.775   3.564
  231   1HB   SER  29          2HB       SER  29   2.137  -9.401   5.501
  232   2HB   SER  29          1HB       SER  29   1.721 -10.063   3.922
  233    HG   SER  29           HG       SER  29   4.327 -10.442   4.293
  234    H    ILE  30           H        ILE  30   2.824  -6.145   4.926
  235    HA   ILE  30           HA       ILE  30   5.595  -6.097   5.892
  236    HB   ILE  30           HB       ILE  30   5.323  -3.635   6.052
  237   1HG1  ILE  30          2HG1      ILE  30   2.712  -4.209   4.640
  238   2HG1  ILE  30          1HG1      ILE  30   2.913  -3.444   6.214
  239   1HG2  ILE  30          1HG2      ILE  30   4.864  -4.890   3.352
  240   2HG2  ILE  30          2HG2      ILE  30   6.419  -4.652   4.154
  241   3HG2  ILE  30          3HG2      ILE  30   5.475  -3.259   3.627
  242   1HD1  ILE  30          1HD1      ILE  30   3.964  -1.532   5.184
  243   2HD1  ILE  30          2HD1      ILE  30   2.398  -1.837   4.431
  244   3HD1  ILE  30          3HD1      ILE  30   3.886  -2.310   3.603
  245    H    ASP  31           H        ASP  31   6.016  -6.172   7.928
  246    HA   ASP  31           HA       ASP  31   3.875  -6.245   9.867
  247   1HB   ASP  31          2HB       ASP  31   5.738  -7.900   9.887
  248   2HB   ASP  31          1HB       ASP  31   6.856  -6.594  10.264
  249    H    ASN  32           H        ASN  32   4.101  -5.069  11.917
  250    HA   ASN  32           HA       ASN  32   4.270  -3.179  13.162
  251   1HB   ASN  32          2HB       ASN  32   6.385  -2.392  11.153
  252   2HB   ASN  32          1HB       ASN  32   5.973  -1.432  12.568
  253   1HD2  ASN  32          1HD2      ASN  32   7.479  -4.331  11.407
  254   2HD2  ASN  32          2HD2      ASN  32   8.254  -4.767  12.888
  255    H    TYR  33           H        TYR  33   2.484  -3.511  10.772
  256    HA   TYR  33           HA       TYR  33   1.601  -0.709  10.786
  257   1HB   TYR  33          2HB       TYR  33   1.671  -2.445   8.307
  258   2HB   TYR  33          1HB       TYR  33   0.906  -0.870   8.413
  259    HD1  TYR  33           HD1      TYR  33   2.295   1.165   8.675
  260    HD2  TYR  33           HD2      TYR  33   4.025  -2.661   8.020
  261    HE1  TYR  33           HE1      TYR  33   4.410   2.242   8.036
  262    HE2  TYR  33           HE2      TYR  33   6.145  -1.602   7.374
  263    HH   TYR  33           HH       TYR  33   6.933   0.560   6.510
  264    H    GLN  34           H        GLN  34  -0.640  -0.422  10.707
  265    HA   GLN  34           HA       GLN  34  -2.234  -2.893  10.872
  266   1HB   GLN  34          2HB       GLN  34  -2.440  -0.399  12.556
  267   2HB   GLN  34          1HB       GLN  34  -3.746  -1.576  12.447
  268   1HG   GLN  34          2HG       GLN  34  -2.460  -3.256  13.462
  269   2HG   GLN  34          1HG       GLN  34  -0.960  -2.359  13.232
  270   1HE2  GLN  34          1HE2      GLN  34  -3.870  -2.639  15.123
  271   2HE2  GLN  34          2HE2      GLN  34  -3.341  -1.650  16.437
  272    H    LEU  35           H        LEU  35  -4.534  -2.607  10.274
  273    HA   LEU  35           HA       LEU  35  -4.660  -0.715   8.013
  274   1HB   LEU  35          2HB       LEU  35  -4.279  -3.072   7.365
  275   2HB   LEU  35          1HB       LEU  35  -5.765  -3.519   8.175
  276    HG   LEU  35           HG       LEU  35  -7.029  -2.110   6.573
  277   1HD1  LEU  35          1HD1      LEU  35  -5.902  -1.319   4.553
  278   2HD1  LEU  35          2HD1      LEU  35  -4.350  -1.824   5.221
  279   3HD1  LEU  35          3HD1      LEU  35  -5.265  -0.533   5.996
  280   1HD2  LEU  35          1HD2      LEU  35  -6.781  -4.495   6.186
  281   2HD2  LEU  35          2HD2      LEU  35  -5.249  -4.217   5.358
  282   3HD2  LEU  35          3HD2      LEU  35  -6.751  -3.614   4.658
  283    H    TYR  36           H        TYR  36  -6.468   0.498   7.803
  284    HA   TYR  36           HA       TYR  36  -8.603   0.114   9.783
  285   1HB   TYR  36          2HB       TYR  36  -7.963   2.481   8.014
  286   2HB   TYR  36          1HB       TYR  36  -9.291   2.412   9.168
  287    HD1  TYR  36           HD1      TYR  36  -8.901   2.651  11.525
  288    HD2  TYR  36           HD2      TYR  36  -5.652   2.590   8.783
  289    HE1  TYR  36           HE1      TYR  36  -7.391   3.463  13.298
  290    HE2  TYR  36           HE2      TYR  36  -4.135   3.402  10.528
  291    HH   TYR  36           HH       TYR  36  -4.243   4.609  12.654
  292    H    SER  37           H        SER  37 -10.704  -0.125   9.248
  293    HA   SER  37           HA       SER  37 -11.350  -0.406   6.394
  294   1HB   SER  37          2HB       SER  37 -12.893  -1.423   8.795
  295   2HB   SER  37          1HB       SER  37 -13.229  -1.775   7.099
  296    HG   SER  37           HG       SER  37 -10.664  -2.358   7.780
  297    H    LEU  38           H        LEU  38 -12.028   1.530   5.681
  298    HA   LEU  38           HA       LEU  38 -14.070   2.916   7.277
  299   1HB   LEU  38          2HB       LEU  38 -13.363   4.991   6.006
  300   2HB   LEU  38          1HB       LEU  38 -12.265   4.395   7.230
  301    HG   LEU  38           HG       LEU  38 -11.843   3.706   4.337
  302   1HD1  LEU  38          1HD1      LEU  38 -10.431   5.679   4.136
  303   2HD1  LEU  38          2HD1      LEU  38 -10.880   6.185   5.764
  304   3HD1  LEU  38          3HD1      LEU  38 -12.096   6.144   4.487
  305   1HD2  LEU  38          1HD2      LEU  38 -10.526   2.505   6.017
  306   2HD2  LEU  38          2HD2      LEU  38  -9.985   4.041   6.697
  307   3HD2  LEU  38          3HD2      LEU  38  -9.505   3.582   5.063
  308    H    GLY  39           H        GLY  39 -14.106   0.822   5.043
  309   1HA   GLY  39          2HA       GLY  39 -15.930   0.198   3.770
  310   2HA   GLY  39          1HA       GLY  39 -16.621   1.787   4.038
  311    H    HIS  40           H        HIS  40 -15.456   3.579   2.850
  312    HA   HIS  40           HA       HIS  40 -15.823   3.315   0.131
  313   1HB   HIS  40          2HB       HIS  40 -14.018   5.260   1.593
  314   2HB   HIS  40          1HB       HIS  40 -14.478   5.415  -0.097
  315    HD1  HIS  40           HD1      HIS  40 -15.806   5.815   3.378
  316    HD2  HIS  40           HD2      HIS  40 -17.058   6.372  -0.544
  317    HE1  HIS  40           HE1      HIS  40 -17.915   7.163   3.529
  318    HE2  HIS  40           HE2      HIS  40 -18.761   7.310   1.162
  319    H    TYR  41           H        TYR  41 -12.809   3.162   1.938
  320    HA   TYR  41           HA       TYR  41 -11.567   1.437   0.026
  321   1HB   TYR  41          2HB       TYR  41  -9.588   3.107  -0.224
  322   2HB   TYR  41          1HB       TYR  41 -11.009   3.336  -1.236
  323    HD1  TYR  41           HD1      TYR  41  -9.395   4.537   1.905
  324    HD2  TYR  41           HD2      TYR  41 -12.160   5.370  -1.219
  325    HE1  TYR  41           HE1      TYR  41  -9.604   6.850   2.708
  326    HE2  TYR  41           HE2      TYR  41 -12.376   7.682  -0.420
  327    HH   TYR  41           HH       TYR  41 -10.252   9.050   1.848
  328    HA   PRO  42           HA       PRO  42  -9.259   0.617   3.734
  329   1HB   PRO  42          2HB       PRO  42  -6.913  -0.340   2.423
  330   2HB   PRO  42          1HB       PRO  42  -8.274  -1.287   3.024
  331   1HG   PRO  42          2HG       PRO  42  -7.597  -0.978   0.351
  332   2HG   PRO  42          1HG       PRO  42  -9.181  -1.496   0.951
  333   1HD   PRO  42          2HD       PRO  42  -8.293   1.198   0.014
  334   2HD   PRO  42          1HD       PRO  42  -9.859   0.385  -0.197
  335    H    GLY  43           H        GLY  43  -7.443   1.200   5.020
  336   1HA   GLY  43          2HA       GLY  43  -5.431   2.983   3.910
  337   2HA   GLY  43          1HA       GLY  43  -6.498   3.696   5.115
  338    H    ALA  44           H        ALA  44  -3.523   2.900   5.092
  339    HA   ALA  44           HA       ALA  44  -3.642   1.206   7.502
  340   1HB   ALA  44          1HB       ALA  44  -1.538   1.101   5.341
  341   2HB   ALA  44          2HB       ALA  44  -2.824  -0.082   5.587
  342   3HB   ALA  44          3HB       ALA  44  -1.570   0.125   6.811
  343    H    VAL  45           H        VAL  45  -1.653   1.378   8.873
  344    HA   VAL  45           HA       VAL  45  -0.127   3.852   8.629
  345    HB   VAL  45           HB       VAL  45  -0.583   4.599  10.915
  346   1HG1  VAL  45          1HG1      VAL  45  -1.855   5.699   9.242
  347   2HG1  VAL  45          2HG1      VAL  45  -2.927   5.395  10.609
  348   3HG1  VAL  45          3HG1      VAL  45  -3.019   4.377   9.170
  349   1HG2  VAL  45          1HG2      VAL  45  -2.569   3.659  12.125
  350   2HG2  VAL  45          2HG2      VAL  45  -1.175   2.584  12.017
  351   3HG2  VAL  45          3HG2      VAL  45  -2.562   2.332  10.958
  352    HA   PRO  46           HA       PRO  46   2.931   1.375  10.768
  353   1HB   PRO  46          2HB       PRO  46   4.166   3.295  12.291
  354   2HB   PRO  46          1HB       PRO  46   4.506   3.024  10.580
  355   1HG   PRO  46          2HG       PRO  46   2.798   5.096  11.876
  356   2HG   PRO  46          1HG       PRO  46   3.859   5.238  10.464
  357   1HD   PRO  46          2HD       PRO  46   1.161   5.022  10.268
  358   2HD   PRO  46          1HD       PRO  46   2.269   4.405   9.028
  359    H    GLY  47           H        GLY  47   2.688   0.095  12.468
  360   1HA   GLY  47          2HA       GLY  47   1.998   1.028  15.083
  361   2HA   GLY  47          1HA       GLY  47   0.640   0.231  14.296
  362    H    ASN  48           H        ASN  48   0.457  -1.845  14.857
  363    HA   ASN  48           HA       ASN  48   2.861  -3.496  14.820
  364   1HB   ASN  48          2HB       ASN  48   2.558  -2.864  17.188
  365   2HB   ASN  48          1HB       ASN  48   0.931  -3.539  17.150
  366   1HD2  ASN  48          1HD2      ASN  48   4.347  -4.297  16.897
  367   2HD2  ASN  48          2HD2      ASN  48   4.201  -5.975  17.327
  368    H    GLY  49           H        GLY  49   2.134  -4.386  12.958
  369   1HA   GLY  49          2HA       GLY  49   0.643  -6.751  13.203
  370   2HA   GLY  49          1HA       GLY  49  -0.376  -5.517  12.469
  371    H    THR  50           H        THR  50   0.284  -7.781  11.032
  372    HA   THR  50           HA       THR  50   2.331  -6.803   9.159
  373    HB   THR  50           HB       THR  50   1.376  -9.655   9.462
  374    HG1  THR  50           HG1      THR  50   3.125  -8.170  10.968
  375   1HG2  THR  50          1HG2      THR  50   2.359  -9.107   7.283
  376   2HG2  THR  50          2HG2      THR  50   3.412 -10.183   8.203
  377   3HG2  THR  50          3HG2      THR  50   3.790  -8.464   8.089
  378    H    VAL  51           H        VAL  51   1.361  -5.790   7.508
  379    HA   VAL  51           HA       VAL  51  -1.414  -6.365   6.902
  380    HB   VAL  51           HB       VAL  51   0.466  -4.351   5.646
  381   1HG1  VAL  51          1HG1      VAL  51  -2.541  -4.578   5.469
  382   2HG1  VAL  51          2HG1      VAL  51  -1.407  -4.952   4.173
  383   3HG1  VAL  51          3HG1      VAL  51  -1.556  -3.296   4.766
  384   1HG2  VAL  51          1HG2      VAL  51  -1.647  -4.004   7.774
  385   2HG2  VAL  51          2HG2      VAL  51  -0.724  -2.703   7.023
  386   3HG2  VAL  51          3HG2      VAL  51   0.098  -3.907   8.017
  387    H    HIS  52           H        HIS  52  -2.003  -7.832   5.510
  388    HA   HIS  52           HA       HIS  52  -0.157  -9.073   3.714
  389   1HB   HIS  52          2HB       HIS  52  -3.153  -9.364   4.027
  390   2HB   HIS  52          1HB       HIS  52  -2.170 -10.344   2.952
  391    HD1  HIS  52           HD1      HIS  52  -0.762 -12.220   3.999
  392    HD2  HIS  52           HD2      HIS  52  -2.889  -9.953   6.765
  393    HE1  HIS  52           HE1      HIS  52  -0.639 -13.493   6.162
  394    HE2  HIS  52           HE2      HIS  52  -2.203 -12.262   7.708
  395    H    GLY  53           H        GLY  53   0.551  -7.764   2.133
  396   1HA   GLY  53          2HA       GLY  53  -1.504  -6.750   0.286
  397   2HA   GLY  53          1HA       GLY  53  -0.138  -5.742   0.754
  398    H    GLU  54           H        GLU  54  -0.631  -6.295  -1.889
  399    HA   GLU  54           HA       GLU  54   1.680  -7.996  -2.531
  400   1HB   GLU  54          2HB       GLU  54  -0.882  -7.690  -4.113
  401   2HB   GLU  54          1HB       GLU  54   0.556  -8.511  -4.707
  402   1HG   GLU  54          2HG       GLU  54   0.370 -10.106  -2.827
  403   2HG   GLU  54          1HG       GLU  54  -1.131  -9.317  -2.344
  404    H    VAL  55           H        VAL  55   3.195  -7.129  -3.853
  405    HA   VAL  55           HA       VAL  55   2.911  -4.303  -4.490
  406    HB   VAL  55           HB       VAL  55   5.289  -6.117  -4.971
  407   1HG1  VAL  55          1HG1      VAL  55   6.561  -4.005  -5.056
  408   2HG1  VAL  55          2HG1      VAL  55   5.044  -3.110  -4.930
  409   3HG1  VAL  55          3HG1      VAL  55   5.355  -4.121  -6.342
  410   1HG2  VAL  55          1HG2      VAL  55   4.769  -6.053  -2.603
  411   2HG2  VAL  55          2HG2      VAL  55   4.697  -4.290  -2.645
  412   3HG2  VAL  55          3HG2      VAL  55   6.229  -5.117  -2.927
  413    H    TYR  56           H        TYR  56   2.214  -3.607  -6.399
  414    HA   TYR  56           HA       TYR  56   2.359  -5.485  -8.662
  415   1HB   TYR  56          2HB       TYR  56   0.087  -3.735  -7.769
  416   2HB   TYR  56          1HB       TYR  56   0.214  -4.275  -9.437
  417    HD1  TYR  56           HD1      TYR  56  -1.055  -5.048  -6.246
  418    HD2  TYR  56           HD2      TYR  56   0.508  -6.851  -9.758
  419    HE1  TYR  56           HE1      TYR  56  -2.172  -7.152  -5.655
  420    HE2  TYR  56           HE2      TYR  56  -0.604  -8.962  -9.180
  421    HH   TYR  56           HH       TYR  56  -1.409 -10.015  -6.774
  422    H    ARG  57           H        ARG  57   2.318  -4.608 -10.735
  423    HA   ARG  57           HA       ARG  57   3.432  -1.897 -10.970
  424   1HB   ARG  57          2HB       ARG  57   4.955  -3.698 -11.640
  425   2HB   ARG  57          1HB       ARG  57   3.739  -4.340 -12.727
  426   1HG   ARG  57          2HG       ARG  57   4.804  -1.565 -13.098
  427   2HG   ARG  57          1HG       ARG  57   5.699  -2.966 -13.690
  428   1HD   ARG  57          2HD       ARG  57   3.497  -3.636 -14.829
  429   2HD   ARG  57          1HD       ARG  57   2.982  -1.981 -14.508
  430    HE   ARG  57           HE       ARG  57   5.502  -2.362 -15.932
  431   1HH1  ARG  57          1HH1      ARG  57   2.122  -1.472 -16.017
  432   2HH1  ARG  57          2HH1      ARG  57   2.187  -0.830 -17.634
  433   1HH2  ARG  57          1HH2      ARG  57   5.603  -1.556 -18.067
  434   2HH2  ARG  57          2HH2      ARG  57   4.174  -0.883 -18.801
  435    H    ILE  58           H        ILE  58   1.886  -0.521 -11.599
  436    HA   ILE  58           HA       ILE  58   0.126  -1.364 -13.806
  437    HB   ILE  58           HB       ILE  58  -1.361   0.592 -13.004
  438   1HG1  ILE  58          2HG1      ILE  58  -1.309   0.677 -10.417
  439   2HG1  ILE  58          1HG1      ILE  58   0.355   0.121 -10.575
  440   1HG2  ILE  58          1HG2      ILE  58  -1.210  -1.979 -11.453
  441   2HG2  ILE  58          2HG2      ILE  58  -2.060  -1.711 -12.976
  442   3HG2  ILE  58          3HG2      ILE  58  -2.600  -0.895 -11.509
  443   1HD1  ILE  58          1HD1      ILE  58   0.283   2.514 -10.328
  444   2HD1  ILE  58          2HD1      ILE  58  -0.805   2.654 -11.709
  445   3HD1  ILE  58          3HD1      ILE  58   0.852   2.098 -11.943
  446    H    ASP  59           H        ASP  59  -0.712   0.751 -14.988
  447    HA   ASP  59           HA       ASP  59   1.406   1.940 -16.321
  448   1HB   ASP  59          2HB       ASP  59  -0.808   1.954 -17.264
  449   2HB   ASP  59          1HB       ASP  59  -1.414   2.950 -15.941
  450    H    ASN  60           H        ASN  60   2.730   3.633 -15.970
  451    HA   ASN  60           HA       ASN  60   2.920   4.753 -13.380
  452   1HB   ASN  60          2HB       ASN  60   4.311   5.487 -15.963
  453   2HB   ASN  60          1HB       ASN  60   4.700   6.205 -14.403
  454   1HD2  ASN  60          1HD2      ASN  60   6.789   5.411 -14.386
  455   2HD2  ASN  60          2HD2      ASN  60   7.142   3.725 -14.168
  456    H    ALA  61           H        ALA  61   1.700   6.054 -16.448
  457    HA   ALA  61           HA       ALA  61   1.331   8.705 -15.582
  458   1HB   ALA  61          1HB       ALA  61   1.289   8.042 -17.946
  459   2HB   ALA  61          2HB       ALA  61  -0.147   8.959 -17.495
  460   3HB   ALA  61          3HB       ALA  61  -0.241   7.208 -17.677
  461    H    THR  62           H        THR  62  -0.866   5.918 -15.588
  462    HA   THR  62           HA       THR  62  -3.134   7.075 -14.485
  463    HB   THR  62           HB       THR  62  -2.066   4.312 -13.814
  464    HG1  THR  62           HG1      THR  62  -2.254   4.891 -16.141
  465   1HG2  THR  62          1HG2      THR  62  -3.976   4.956 -12.438
  466   2HG2  THR  62          2HG2      THR  62  -4.456   3.726 -13.609
  467   3HG2  THR  62          3HG2      THR  62  -4.881   5.416 -13.881
  468    H    LEU  63           H        LEU  63  -0.209   5.964 -12.927
  469    HA   LEU  63           HA       LEU  63  -1.116   6.204 -10.246
  470   1HB   LEU  63          2HB       LEU  63   0.831   4.806 -11.072
  471   2HB   LEU  63          1HB       LEU  63   1.736   6.295 -11.234
  472    HG   LEU  63           HG       LEU  63   2.110   4.858  -9.134
  473   1HD1  LEU  63          1HD1      LEU  63   1.476   7.790  -8.857
  474   2HD1  LEU  63          2HD1      LEU  63   3.018   7.090  -9.357
  475   3HD1  LEU  63          3HD1      LEU  63   2.420   6.830  -7.718
  476   1HD2  LEU  63          1HD2      LEU  63  -0.225   4.458  -8.606
  477   2HD2  LEU  63          2HD2      LEU  63  -0.487   6.189  -8.385
  478   3HD2  LEU  63          3HD2      LEU  63   0.578   5.308  -7.285
  479    H    ALA  64           H        ALA  64   1.009   8.182 -12.286
  480    HA   ALA  64           HA       ALA  64   1.349  10.301 -10.491
  481   1HB   ALA  64          1HB       ALA  64   2.747   9.945 -12.472
  482   2HB   ALA  64          2HB       ALA  64   2.102  11.586 -12.412
  483   3HB   ALA  64          3HB       ALA  64   1.392  10.397 -13.505
  484    H    GLU  65           H        GLU  65  -1.256   9.529 -12.704
  485    HA   GLU  65           HA       GLU  65  -2.428  12.156 -12.570
  486   1HB   GLU  65          2HB       GLU  65  -2.850  10.692 -14.482
  487   2HB   GLU  65          1HB       GLU  65  -3.646   9.528 -13.429
  488   1HG   GLU  65          2HG       GLU  65  -5.403  11.098 -12.945
  489   2HG   GLU  65          1HG       GLU  65  -4.577  12.352 -13.869
  490    H    LEU  66           H        LEU  66  -3.124   9.030 -11.062
  491    HA   LEU  66           HA       LEU  66  -5.299   9.860  -9.489
  492   1HB   LEU  66          2HB       LEU  66  -4.589   7.500  -9.973
  493   2HB   LEU  66          1HB       LEU  66  -3.265   7.716  -8.849
  494    HG   LEU  66           HG       LEU  66  -6.145   8.015  -7.995
  495   1HD1  LEU  66          1HD1      LEU  66  -6.080   5.704  -7.265
  496   2HD1  LEU  66          2HD1      LEU  66  -4.457   5.518  -7.929
  497   3HD1  LEU  66          3HD1      LEU  66  -5.825   5.800  -9.007
  498   1HD2  LEU  66          1HD2      LEU  66  -4.470   8.914  -6.456
  499   2HD2  LEU  66          2HD2      LEU  66  -3.612   7.373  -6.474
  500   3HD2  LEU  66          3HD2      LEU  66  -5.233   7.472  -5.785
  501    H    ASP  67           H        ASP  67  -1.830   9.699  -8.836
  502    HA   ASP  67           HA       ASP  67  -1.957  10.398  -6.120
  503   1HB   ASP  67          2HB       ASP  67  -0.024   9.363  -7.433
  504   2HB   ASP  67          1HB       ASP  67   0.371  11.000  -7.932
  505    H    ALA  68           H        ALA  68  -1.470  12.379  -9.014
  506    HA   ALA  68           HA       ALA  68  -1.012  14.805  -7.631
  507   1HB   ALA  68          1HB       ALA  68  -0.358  14.413  -9.962
  508   2HB   ALA  68          2HB       ALA  68  -1.333  15.872  -9.783
  509   3HB   ALA  68          3HB       ALA  68  -2.059  14.397 -10.427
  510    H    LEU  69           H        LEU  69  -3.906  13.132  -8.611
  511    HA   LEU  69           HA       LEU  69  -5.600  15.425  -8.120
  512   1HB   LEU  69          2HB       LEU  69  -6.048  12.633  -9.083
  513   2HB   LEU  69          1HB       LEU  69  -7.404  13.571  -8.484
  514    HG   LEU  69           HG       LEU  69  -5.602  14.389 -10.765
  515   1HD1  LEU  69          1HD1      LEU  69  -8.434  13.349 -10.772
  516   2HD1  LEU  69          2HD1      LEU  69  -7.012  12.482 -11.348
  517   3HD1  LEU  69          3HD1      LEU  69  -7.550  13.943 -12.177
  518   1HD2  LEU  69          1HD2      LEU  69  -7.260  16.159 -11.108
  519   2HD2  LEU  69          2HD2      LEU  69  -6.497  16.284  -9.521
  520   3HD2  LEU  69          3HD2      LEU  69  -8.124  15.623  -9.665
  521    H    ARG  70           H        ARG  70  -5.035  12.247  -6.596
  522    HA   ARG  70           HA       ARG  70  -7.170  12.800  -4.723
  523   1HB   ARG  70          2HB       ARG  70  -6.938  10.570  -5.765
  524   2HB   ARG  70          1HB       ARG  70  -5.387  10.374  -4.961
  525   1HG   ARG  70          2HG       ARG  70  -6.326  10.069  -2.900
  526   2HG   ARG  70          1HG       ARG  70  -7.793  10.968  -3.313
  527   1HD   ARG  70          2HD       ARG  70  -8.080   8.973  -5.035
  528   2HD   ARG  70          1HD       ARG  70  -7.071   8.135  -3.854
  529    HE   ARG  70           HE       ARG  70  -8.783   8.667  -2.179
  530   1HH1  ARG  70          1HH1      ARG  70  -9.645   8.799  -5.581
  531   2HH1  ARG  70          2HH1      ARG  70 -11.357   8.685  -5.286
  532   1HH2  ARG  70          1HH2      ARG  70 -11.035   8.526  -1.793
  533   2HH2  ARG  70          2HH2      ARG  70 -12.146   8.551  -3.127
  534    H    THR  71           H        THR  71  -3.666  12.343  -4.676
  535    HA   THR  71           HA       THR  71  -3.667  12.853  -1.811
  536    HB   THR  71           HB       THR  71  -1.025  12.491  -2.661
  537    HG1  THR  71           HG1      THR  71  -1.099  10.831  -4.114
  538   1HG2  THR  71          1HG2      THR  71  -2.056  11.666  -0.600
  539   2HG2  THR  71          2HG2      THR  71  -1.262  10.358  -1.478
  540   3HG2  THR  71          3HG2      THR  71  -3.020  10.524  -1.540
  541    H    ARG  72           H        ARG  72  -1.238  13.837  -4.179
  542    HA   ARG  72           HA       ARG  72  -0.069  15.741  -4.479
  543   1HB   ARG  72          2HB       ARG  72  -2.312  16.317  -5.409
  544   2HB   ARG  72          1HB       ARG  72  -2.679  17.096  -3.880
  545   1HG   ARG  72          2HG       ARG  72  -0.650  18.534  -4.256
  546   2HG   ARG  72          1HG       ARG  72  -0.596  17.867  -5.891
  547   1HD   ARG  72          2HD       ARG  72  -1.805  19.874  -6.075
  548   2HD   ARG  72          1HD       ARG  72  -3.007  18.583  -6.106
  549    HE   ARG  72           HE       ARG  72  -2.490  19.710  -3.491
  550   1HH1  ARG  72          1HH1      ARG  72  -4.461  19.842  -6.378
  551   2HH1  ARG  72          2HH1      ARG  72  -5.765  20.703  -5.613
  552   1HH2  ARG  72          1HH2      ARG  72  -4.197  20.800  -2.461
  553   2HH2  ARG  72          2HH2      ARG  72  -5.612  21.246  -3.371
  554    H    GLY  73           H        GLY  73  -2.330  16.968  -2.036
  555   1HA   GLY  73          2HA       GLY  73  -0.132  18.234  -0.626
  556   2HA   GLY  73          1HA       GLY  73  -1.845  18.399  -0.262
  557    H    GLY  74           H        GLY  74  -2.815  16.081   0.357
  558   1HA   GLY  74          2HA       GLY  74  -1.416  14.026   1.404
  559   2HA   GLY  74          1HA       GLY  74  -1.280  15.240   2.661
  560    H    GLU  75           H        GLU  75  -3.951  13.968   0.595
  561    HA   GLU  75           HA       GLU  75  -5.690  13.779   2.874
  562   1HB   GLU  75          2HB       GLU  75  -6.535  13.926   0.499
  563   2HB   GLU  75          1HB       GLU  75  -5.949  12.287   0.245
  564   1HG   GLU  75          2HG       GLU  75  -7.442  11.468   1.987
  565   2HG   GLU  75          1HG       GLU  75  -8.016  13.106   2.278
  566    H    TYR  76           H        TYR  76  -3.369  11.821   1.235
  567    HA   TYR  76           HA       TYR  76  -3.278  10.037   3.561
  568   1HB   TYR  76          2HB       TYR  76  -2.600   8.951   0.844
  569   2HB   TYR  76          1HB       TYR  76  -3.065   8.081   2.300
  570    HD1  TYR  76           HD1      TYR  76  -5.524   8.315   3.064
  571    HD2  TYR  76           HD2      TYR  76  -4.147   9.363  -0.823
  572    HE1  TYR  76           HE1      TYR  76  -7.828   8.173   2.221
  573    HE2  TYR  76           HE2      TYR  76  -6.440   9.227  -1.683
  574    HH   TYR  76           HH       TYR  76  -9.055   9.410   0.038
  575    H    ALA  77           H        ALA  77  -1.129   9.356   4.045
  576    HA   ALA  77           HA       ALA  77   0.912  11.133   2.985
  577   1HB   ALA  77          1HB       ALA  77   0.805  10.677   5.410
  578   2HB   ALA  77          2HB       ALA  77   2.360  10.238   4.701
  579   3HB   ALA  77          3HB       ALA  77   1.180   8.984   5.086
  580    H    ARG  78           H        ARG  78   1.992  10.610   1.227
  581    HA   ARG  78           HA       ARG  78   2.121   7.931   0.243
  582   1HB   ARG  78          2HB       ARG  78   3.493  10.479  -0.585
  583   2HB   ARG  78          1HB       ARG  78   3.745   8.944  -1.401
  584   1HG   ARG  78          2HG       ARG  78   1.530   8.860  -2.166
  585   2HG   ARG  78          1HG       ARG  78   1.016  10.140  -1.063
  586   1HD   ARG  78          2HD       ARG  78   3.020  10.536  -3.268
  587   2HD   ARG  78          1HD       ARG  78   1.294  10.837  -3.454
  588    HE   ARG  78           HE       ARG  78   2.307  12.217  -1.200
  589   1HH1  ARG  78          1HH1      ARG  78   2.176  12.332  -4.710
  590   2HH1  ARG  78          2HH1      ARG  78   2.456  14.058  -4.780
  591   1HH2  ARG  78          1HH2      ARG  78   2.647  14.487  -1.306
  592   2HH2  ARG  78          2HH2      ARG  78   2.711  15.266  -2.855
  593    H    GLN  79           H        GLN  79   3.188   6.545   1.451
  594    HA   GLN  79           HA       GLN  79   5.838   7.277   2.487
  595   1HB   GLN  79          2HB       GLN  79   4.091   6.365   4.070
  596   2HB   GLN  79          1HB       GLN  79   4.130   4.868   3.159
  597   1HG   GLN  79          2HG       GLN  79   6.443   4.520   3.749
  598   2HG   GLN  79          1HG       GLN  79   6.487   6.069   4.588
  599   1HE2  GLN  79          1HE2      GLN  79   3.720   3.946   4.720
  600   2HE2  GLN  79          2HE2      GLN  79   3.917   3.481   6.371
  601    H    LEU  80           H        LEU  80   7.209   6.919   0.807
  602    HA   LEU  80           HA       LEU  80   6.847   4.683  -0.953
  603   1HB   LEU  80          2HB       LEU  80   7.845   6.847  -1.685
  604   2HB   LEU  80          1HB       LEU  80   9.249   6.485  -0.695
  605    HG   LEU  80           HG       LEU  80   9.585   4.404  -2.046
  606   1HD1  LEU  80          1HD1      LEU  80   8.453   4.254  -4.210
  607   2HD1  LEU  80          2HD1      LEU  80   7.455   5.644  -3.783
  608   3HD1  LEU  80          3HD1      LEU  80   7.314   4.141  -2.869
  609   1HD2  LEU  80          1HD2      LEU  80  10.865   6.440  -2.488
  610   2HD2  LEU  80          2HD2      LEU  80   9.595   7.003  -3.575
  611   3HD2  LEU  80          3HD2      LEU  80  10.525   5.559  -3.978
  612    H    ILE  81           H        ILE  81   7.293   2.710  -0.355
  613    HA   ILE  81           HA       ILE  81   9.460   2.277   1.581
  614    HB   ILE  81           HB       ILE  81   8.401   0.077   2.016
  615   1HG1  ILE  81          2HG1      ILE  81   6.063   1.136   0.430
  616   2HG1  ILE  81          1HG1      ILE  81   7.230   0.010  -0.241
  617   1HG2  ILE  81          1HG2      ILE  81   7.949   1.941   3.477
  618   2HG2  ILE  81          2HG2      ILE  81   6.474   0.993   3.275
  619   3HG2  ILE  81          3HG2      ILE  81   6.675   2.515   2.402
  620   1HD1  ILE  81          1HD1      ILE  81   5.511  -0.507   2.172
  621   2HD1  ILE  81          2HD1      ILE  81   6.623  -1.645   1.409
  622   3HD1  ILE  81          3HD1      ILE  81   5.192  -1.093   0.540
  623    H    GLN  82           H        GLN  82  11.097   0.933   1.121
  624    HA   GLN  82           HA       GLN  82  11.354   0.127  -1.667
  625   1HB   GLN  82          2HB       GLN  82  13.413  -0.011   0.545
  626   2HB   GLN  82          1HB       GLN  82  13.704  -0.267  -1.167
  627   1HG   GLN  82          2HG       GLN  82  13.002   2.316   0.211
  628   2HG   GLN  82          1HG       GLN  82  14.516   1.895  -0.577
  629   1HE2  GLN  82          1HE2      GLN  82  11.095   1.757  -1.559
  630   2HE2  GLN  82          2HE2      GLN  82  11.313   2.590  -3.054
  631    H    THR  83           H        THR  83  10.766  -1.778  -2.263
  632    HA   THR  83           HA       THR  83  10.386  -3.816  -0.189
  633    HB   THR  83           HB       THR  83   8.715  -4.782  -1.639
  634    HG1  THR  83           HG1      THR  83   8.333  -3.382  -3.676
  635   1HG2  THR  83          1HG2      THR  83   7.986  -2.865  -0.308
  636   2HG2  THR  83          2HG2      THR  83   7.127  -2.920  -1.847
  637   3HG2  THR  83          3HG2      THR  83   8.447  -1.770  -1.615
  638    HA   PRO  84           HA       PRO  84  13.292  -6.635  -2.149
  639   1HB   PRO  84          2HB       PRO  84  11.199  -8.721  -2.226
  640   2HB   PRO  84          1HB       PRO  84  12.764  -8.731  -1.409
  641   1HG   PRO  84          2HG       PRO  84  10.482  -8.500  -0.028
  642   2HG   PRO  84          1HG       PRO  84  11.951  -7.631   0.457
  643   1HD   PRO  84          2HD       PRO  84   9.538  -6.616  -0.996
  644   2HD   PRO  84          1HD       PRO  84  10.486  -5.841   0.290
  645    H    TYR  85           H        TYR  85  10.569  -5.482  -3.588
  646    HA   TYR  85           HA       TYR  85  11.203  -6.736  -6.175
  647   1HB   TYR  85          2HB       TYR  85   8.538  -5.550  -5.376
  648   2HB   TYR  85          1HB       TYR  85   8.897  -6.519  -6.803
  649    HD1  TYR  85           HD1      TYR  85   7.959  -6.566  -3.328
  650    HD2  TYR  85           HD2      TYR  85   9.446  -8.963  -6.510
  651    HE1  TYR  85           HE1      TYR  85   7.351  -8.591  -2.080
  652    HE2  TYR  85           HE2      TYR  85   8.836 -10.996  -5.269
  653    HH   TYR  85           HH       TYR  85   6.890 -10.874  -2.401
  654    H    GLY  86           H        GLY  86  12.067  -4.237  -4.589
  655   1HA   GLY  86          2HA       GLY  86  13.168  -2.508  -5.928
  656   2HA   GLY  86          1HA       GLY  86  11.676  -2.377  -6.845
  657    H    SER  87           H        SER  87   9.828  -1.439  -5.820
  658    HA   SER  87           HA       SER  87  10.058   0.067  -3.415
  659   1HB   SER  87          2HB       SER  87  11.684   1.321  -4.769
  660   2HB   SER  87          1HB       SER  87  10.498   1.494  -6.057
  661    HG   SER  87           HG       SER  87   9.817   3.206  -5.081
  662    H    ALA  88           H        ALA  88   8.076   0.960  -2.883
  663    HA   ALA  88           HA       ALA  88   5.980   1.052  -4.916
  664   1HB   ALA  88          1HB       ALA  88   5.913  -1.253  -4.098
  665   2HB   ALA  88          2HB       ALA  88   4.461  -0.363  -3.643
  666   3HB   ALA  88          3HB       ALA  88   5.723  -0.662  -2.447
  667    H    TRP  89           H        TRP  89   4.257   2.388  -4.393
  668    HA   TRP  89           HA       TRP  89   4.731   4.250  -2.236
  669   1HB   TRP  89          2HB       TRP  89   2.558   4.094  -4.337
  670   2HB   TRP  89          1HB       TRP  89   2.649   5.359  -3.124
  671    HD1  TRP  89           HD1      TRP  89   4.023   4.358  -6.451
  672    HE1  TRP  89           HE1      TRP  89   5.637   6.168  -7.274
  673    HE3  TRP  89           HE3      TRP  89   4.435   7.114  -2.166
  674    HZ2  TRP  89           HZ2      TRP  89   6.932   8.454  -6.265
  675    HZ3  TRP  89           HZ3      TRP  89   5.886   9.102  -2.179
  676    HH2  TRP  89           HH2      TRP  89   7.109   9.757  -4.188
  677    H    MET  90           H        MET  90   4.033   3.923  -0.253
  678    HA   MET  90           HA       MET  90   1.656   2.257   0.217
  679   1HB   MET  90          2HB       MET  90   3.919   1.761   1.302
  680   2HB   MET  90          1HB       MET  90   3.681   3.226   2.244
  681   1HG   MET  90          2HG       MET  90   1.668   1.013   2.256
  682   2HG   MET  90          1HG       MET  90   3.088   0.981   3.298
  683   1HE   MET  90          1HE       MET  90   0.435   1.901   5.922
  684   2HE   MET  90          2HE       MET  90   1.835   0.902   5.532
  685   3HE   MET  90          3HE       MET  90   0.339   0.721   4.615
  686    H    TYR  91           H        TYR  91  -0.208   3.327   0.627
  687    HA   TYR  91           HA       TYR  91  -0.036   6.166   1.300
  688   1HB   TYR  91          2HB       TYR  91  -2.279   4.472   0.206
  689   2HB   TYR  91          1HB       TYR  91  -2.538   6.113   0.787
  690    HD1  TYR  91           HD1      TYR  91  -0.796   4.086  -1.780
  691    HD2  TYR  91           HD2      TYR  91  -1.961   8.000  -0.552
  692    HE1  TYR  91           HE1      TYR  91  -0.184   4.962  -3.995
  693    HE2  TYR  91           HE2      TYR  91  -1.323   8.884  -2.755
  694    HH   TYR  91           HH       TYR  91  -0.038   8.367  -4.666
  695    H    VAL  92           H        VAL  92   0.023   6.595   3.392
  696    HA   VAL  92           HA       VAL  92  -1.534   4.999   5.290
  697    HB   VAL  92           HB       VAL  92   0.756   6.912   5.536
  698   1HG1  VAL  92          1HG1      VAL  92  -0.907   7.885   7.059
  699   2HG1  VAL  92          2HG1      VAL  92   0.428   7.151   7.947
  700   3HG1  VAL  92          3HG1      VAL  92  -1.118   6.312   7.829
  701   1HG2  VAL  92          1HG2      VAL  92   0.053   4.308   6.882
  702   2HG2  VAL  92          2HG2      VAL  92   1.572   5.191   7.067
  703   3HG2  VAL  92          3HG2      VAL  92   1.136   4.509   5.499
  704    H    TYR  93           H        TYR  93  -3.217   5.693   6.389
  705    HA   TYR  93           HA       TYR  93  -4.959   7.595   5.468
  706   1HB   TYR  93          2HB       TYR  93  -6.170   6.663   7.102
  707   2HB   TYR  93          1HB       TYR  93  -4.727   5.901   7.752
  708    HD1  TYR  93           HD1      TYR  93  -6.903   8.883   8.025
  709    HD2  TYR  93           HD2      TYR  93  -3.615   6.764   9.694
  710    HE1  TYR  93           HE1      TYR  93  -6.938  10.368   9.983
  711    HE2  TYR  93           HE2      TYR  93  -3.652   8.239  11.656
  712    HH   TYR  93           HH       TYR  93  -6.213  10.316  12.355
  713    H    GLN  94           H        GLN  94  -5.174   9.776   5.659
  714    HA   GLN  94           HA       GLN  94  -3.502  11.150   7.630
  715   1HB   GLN  94          2HB       GLN  94  -2.779  11.035   5.018
  716   2HB   GLN  94          1HB       GLN  94  -3.774  12.481   5.008
  717   1HG   GLN  94          2HG       GLN  94  -1.465  13.066   5.329
  718   2HG   GLN  94          1HG       GLN  94  -2.385  13.430   6.786
  719   1HE2  GLN  94          1HE2      GLN  94  -1.505  10.170   5.947
  720   2HE2  GLN  94          2HE2      GLN  94  -0.342   9.949   7.196
  721    H    ARG  95           H        ARG  95  -6.495  10.510   7.172
  722    HA   ARG  95           HA       ARG  95  -7.376  13.297   7.400
  723   1HB   ARG  95          2HB       ARG  95  -8.784  11.049   5.995
  724   2HB   ARG  95          1HB       ARG  95  -9.630  12.493   6.508
  725   1HG   ARG  95          2HG       ARG  95  -7.265  12.455   4.650
  726   2HG   ARG  95          1HG       ARG  95  -8.950  12.483   4.132
  727   1HD   ARG  95          2HD       ARG  95  -8.467  14.712   4.054
  728   2HD   ARG  95          1HD       ARG  95  -9.057  14.580   5.708
  729    HE   ARG  95           HE       ARG  95  -6.472  14.256   6.130
  730   1HH1  ARG  95          1HH1      ARG  95  -8.119  16.526   4.021
  731   2HH1  ARG  95          2HH1      ARG  95  -6.859  17.716   4.121
  732   1HH2  ARG  95          1HH2      ARG  95  -4.823  15.841   6.271
  733   2HH2  ARG  95          2HH2      ARG  95  -4.991  17.333   5.391
  734    HA   PRO  96           HA       PRO  96 -10.403  11.665  10.364
  735   1HB   PRO  96          2HB       PRO  96 -11.713   9.316   9.979
  736   2HB   PRO  96          1HB       PRO  96 -12.011  10.784   9.045
  737   1HG   PRO  96          2HG       PRO  96 -10.873   8.308   8.130
  738   2HG   PRO  96          1HG       PRO  96 -11.179   9.778   7.193
  739   1HD   PRO  96          2HD       PRO  96  -8.673   8.846   8.492
  740   2HD   PRO  96          1HD       PRO  96  -8.889   9.861   7.056
  741    H    VAL  97           H        VAL  97 -10.167   8.314  10.179
  742    HA   VAL  97           HA       VAL  97 -10.222   6.697  11.694
  743    HB   VAL  97           HB       VAL  97  -8.378   6.307  13.182
  744   1HG1  VAL  97          1HG1      VAL  97  -7.556   7.343  10.482
  745   2HG1  VAL  97          2HG1      VAL  97  -8.119   5.718  10.875
  746   3HG1  VAL  97          3HG1      VAL  97  -6.579   6.297  11.510
  747   1HG2  VAL  97          1HG2      VAL  97  -7.925   8.519  14.055
  748   2HG2  VAL  97          2HG2      VAL  97  -7.383   9.060  12.465
  749   3HG2  VAL  97          3HG2      VAL  97  -6.468   7.830  13.337
  750    H    ASP  98           H        ASP  98 -12.186   7.441  12.338
  751    HA   ASP  98           HA       ASP  98 -12.560   7.175  15.084
  752   1HB   ASP  98          2HB       ASP  98 -11.864   9.563  15.150
  753   2HB   ASP  98          1HB       ASP  98 -13.179   9.954  14.049
  754    H    GLY  99           H        GLY  99 -14.330   5.982  15.056
  755   1HA   GLY  99          2HA       GLY  99 -16.506   5.337  14.435
  756   2HA   GLY  99          1HA       GLY  99 -16.503   6.595  13.196
  757    H    LEU 100           H        LEU 100 -13.734   4.615  13.456
  758    HA   LEU 100           HA       LEU 100 -14.525   3.099  11.055
  759   1HB   LEU 100          2HB       LEU 100 -11.747   4.036  11.791
  760   2HB   LEU 100          1HB       LEU 100 -12.196   3.157  10.343
  761    HG   LEU 100           HG       LEU 100 -12.975   5.990  11.033
  762   1HD1  LEU 100          1HD1      LEU 100 -11.605   6.582   9.119
  763   2HD1  LEU 100          2HD1      LEU 100 -11.225   4.884   8.838
  764   3HD1  LEU 100          3HD1      LEU 100 -10.648   5.685  10.298
  765   1HD2  LEU 100          1HD2      LEU 100 -13.674   4.319   8.626
  766   2HD2  LEU 100          2HD2      LEU 100 -14.010   6.042   8.820
  767   3HD2  LEU 100          3HD2      LEU 100 -14.794   4.866   9.875
  768    H    LYS 101           H        LYS 101 -13.256   1.024  10.832
  769    HA   LYS 101           HA       LYS 101 -12.823  -0.110  13.508
  770   1HB   LYS 101          2HB       LYS 101 -13.637  -1.470  10.938
  771   2HB   LYS 101          1HB       LYS 101 -13.220  -2.329  12.417
  772   1HG   LYS 101          2HG       LYS 101 -15.030  -1.018  13.563
  773   2HG   LYS 101          1HG       LYS 101 -15.524  -0.453  11.969
  774   1HD   LYS 101          2HD       LYS 101 -15.976  -2.714  11.261
  775   2HD   LYS 101          1HD       LYS 101 -15.350  -3.350  12.787
  776   1HE   LYS 101          2HE       LYS 101 -17.122  -2.071  13.975
  777   2HE   LYS 101          1HE       LYS 101 -17.788  -1.616  12.408
  778   1HZ   LYS 101          1HZ       LYS 101 -18.252  -3.892  11.924
  779   2HZ   LYS 101          2HZ       LYS 101 -18.896  -3.537  13.453
  780   3HZ   LYS 101          3HZ       LYS 101 -17.453  -4.418  13.325
  781    H    LEU 102           H        LEU 102 -10.921  -0.975  14.038
  782    HA   LEU 102           HA       LEU 102  -8.755  -0.665  12.084
  783   1HB   LEU 102          2HB       LEU 102  -8.469   0.664  14.068
  784   2HB   LEU 102          1HB       LEU 102  -8.776  -0.720  15.099
  785    HG   LEU 102           HG       LEU 102  -6.668  -1.747  14.365
  786   1HD1  LEU 102          1HD1      LEU 102  -6.248   0.816  12.832
  787   2HD1  LEU 102          2HD1      LEU 102  -6.561  -0.767  12.122
  788   3HD1  LEU 102          3HD1      LEU 102  -5.072  -0.486  13.025
  789   1HD2  LEU 102          1HD2      LEU 102  -6.640  -0.375  16.352
  790   2HD2  LEU 102          2HD2      LEU 102  -6.410   1.079  15.380
  791   3HD2  LEU 102          3HD2      LEU 102  -5.142  -0.146  15.449
  792    H    ILE 103           H        ILE 103  -7.806  -2.379  11.270
  793    HA   ILE 103           HA       ILE 103  -8.239  -5.008  12.448
  794    HB   ILE 103           HB       ILE 103  -6.660  -4.324   9.958
  795   1HG1  ILE 103          2HG1      ILE 103  -9.560  -5.179  10.167
  796   2HG1  ILE 103          1HG1      ILE 103  -9.031  -3.533   9.837
  797   1HG2  ILE 103          1HG2      ILE 103  -7.028  -6.665   9.388
  798   2HG2  ILE 103          2HG2      ILE 103  -7.948  -6.891  10.873
  799   3HG2  ILE 103          3HG2      ILE 103  -6.227  -6.532  10.954
  800   1HD1  ILE 103          1HD1      ILE 103  -9.707  -4.694   7.806
  801   2HD1  ILE 103          2HD1      ILE 103  -8.485  -5.931   8.106
  802   3HD1  ILE 103          3HD1      ILE 103  -7.994  -4.273   7.767
  803    H    GLU 104           H        GLU 104  -7.041  -5.291  14.153
  804    HA   GLU 104           HA       GLU 104  -4.621  -3.982  14.751
  805   1HB   GLU 104          2HB       GLU 104  -5.843  -6.397  16.074
  806   2HB   GLU 104          1HB       GLU 104  -4.663  -5.302  16.780
  807   1HG   GLU 104          2HG       GLU 104  -6.217  -3.544  16.912
  808   2HG   GLU 104          1HG       GLU 104  -7.355  -4.366  15.847
  809    H    SER 105           H        SER 105  -4.449  -5.786  12.333
  810    HA   SER 105           HA       SER 105  -1.939  -7.021  12.912
  811   1HB   SER 105          2HB       SER 105  -4.343  -8.809  12.519
  812   2HB   SER 105          1HB       SER 105  -2.682  -9.360  12.315
  813    HG   SER 105           HG       SER 105  -3.042  -8.039  14.672
  814    H    GLY 106           H        GLY 106  -4.498  -6.255  10.672
  815   1HA   GLY 106          2HA       GLY 106  -3.922  -5.183   8.662
  816   2HA   GLY 106          1HA       GLY 106  -2.358  -5.971   8.721
  817    H    ASP 107           H        ASP 107  -5.109  -8.032   9.195
  818    HA   ASP 107           HA       ASP 107  -4.765  -9.029   6.466
  819   1HB   ASP 107          2HB       ASP 107  -4.868 -10.611   8.473
  820   2HB   ASP 107          1HB       ASP 107  -6.584 -10.216   8.564
  821    H    TRP 108           H        TRP 108  -6.218  -8.706   4.903
  822    HA   TRP 108           HA       TRP 108  -8.149  -6.652   5.253
  823   1HB   TRP 108          2HB       TRP 108  -6.941  -6.949   3.134
  824   2HB   TRP 108          1HB       TRP 108  -7.691  -8.519   2.915
  825    HD1  TRP 108           HD1      TRP 108  -9.633  -8.467   1.280
  826    HE1  TRP 108           HE1      TRP 108 -11.380  -6.735   0.516
  827    HE3  TRP 108           HE3      TRP 108  -8.273  -4.571   4.299
  828    HZ2  TRP 108           HZ2      TRP 108 -12.082  -4.067   1.126
  829    HZ3  TRP 108           HZ3      TRP 108  -9.533  -2.469   4.152
  830    HH2  TRP 108           HH2      TRP 108 -11.400  -2.220   2.595
  831    H    LEU 109           H        LEU 109  -8.313 -10.120   5.403
  832    HA   LEU 109           HA       LEU 109 -11.241  -9.963   5.112
  833   1HB   LEU 109          2HB       LEU 109  -9.643 -12.388   4.356
  834   2HB   LEU 109          1HB       LEU 109 -11.270 -11.948   3.869
  835    HG   LEU 109           HG       LEU 109  -9.857  -9.881   2.819
  836   1HD1  LEU 109          1HD1      LEU 109  -7.713 -10.810   3.473
  837   2HD1  LEU 109          2HD1      LEU 109  -7.879 -10.789   1.716
  838   3HD1  LEU 109          3HD1      LEU 109  -8.077 -12.301   2.604
  839   1HD2  LEU 109          1HD2      LEU 109 -10.409 -12.535   1.511
  840   2HD2  LEU 109          2HD2      LEU 109 -10.078 -11.016   0.674
  841   3HD2  LEU 109          3HD2      LEU 109 -11.532 -11.183   1.657
  842    H    ASP 110           H        ASP 110  -8.569 -11.821   6.509
  843    HA   ASP 110           HA       ASP 110  -8.341 -13.014   8.420
  844   1HB   ASP 110          2HB       ASP 110  -9.306 -11.132   9.615
  845   2HB   ASP 110          1HB       ASP 110 -10.933 -11.682   9.227
  846    H    ARG 111           H        ARG 111 -11.700 -13.083   7.337
  847    HA   ARG 111           HA       ARG 111 -11.916 -15.872   8.116
  848   1HB   ARG 111          2HB       ARG 111 -14.320 -15.549   7.379
  849   2HB   ARG 111          1HB       ARG 111 -13.799 -14.700   8.823
  850   1HG   ARG 111          2HG       ARG 111 -13.563 -12.639   7.548
  851   2HG   ARG 111          1HG       ARG 111 -14.027 -13.486   6.073
  852   1HD   ARG 111          2HD       ARG 111 -16.232 -13.913   6.971
  853   2HD   ARG 111          1HD       ARG 111 -15.774 -13.197   8.517
  854    HE   ARG 111           HE       ARG 111 -15.440 -11.075   7.183
  855   1HH1  ARG 111          1HH1      ARG 111 -17.757 -13.543   6.239
  856   2HH1  ARG 111          2HH1      ARG 111 -18.767 -12.430   5.360
  857   1HH2  ARG 111          1HH2      ARG 111 -16.802  -9.609   6.075
  858   2HH2  ARG 111          2HH2      ARG 111 -18.223 -10.203   5.257
  859    H    ASP 112           H        ASP 112 -10.393 -16.391   6.479
  860    HA   ASP 112           HA       ASP 112 -11.640 -16.805   3.860
  861   1HB   ASP 112          2HB       ASP 112  -9.354 -15.672   4.001
  862   2HB   ASP 112          1HB       ASP 112  -8.718 -17.202   4.574
  863    H    LYS 113           H        LYS 113  -9.276 -18.943   3.939
  864    HA   LYS 113           HA       LYS 113  -9.269 -21.227   3.992
  865   1HB   LYS 113          2HB       LYS 113 -10.329 -20.611   6.738
  866   2HB   LYS 113          1HB       LYS 113  -9.753 -22.192   6.233
  867   1HG   LYS 113          2HG       LYS 113  -7.543 -21.197   5.746
  868   2HG   LYS 113          1HG       LYS 113  -8.132 -19.659   6.373
  869   1HD   LYS 113          2HD       LYS 113  -6.867 -20.762   8.091
  870   2HD   LYS 113          1HD       LYS 113  -8.571 -20.767   8.547
  871   1HE   LYS 113          2HE       LYS 113  -7.546 -22.922   9.017
  872   2HE   LYS 113          1HE       LYS 113  -8.772 -23.077   7.760
  873   1HZ   LYS 113          1HZ       LYS 113  -5.899 -22.750   7.110
  874   2HZ   LYS 113          2HZ       LYS 113  -7.147 -23.334   6.114
  875   3HZ   LYS 113          3HZ       LYS 113  -6.580 -24.272   7.407